USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 76 TYR OH : rot -95:sc= 0.106! USER MOD Set 1.2: A 80 GLN : amide:sc= -6.48! C(o=-6.4!,f=-11!) USER MOD Set 2.1: A 50 GLN : amide:sc= -9.9! C(o=-9.7!,f=-9.1!) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -153:sc= 0.15 (180deg=0) USER MOD Set 3.1: A 28 ASN : amide:sc= -4.72! C(o=-4.7!,f=-5.8!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0311) USER MOD Set 4.1: A 5 ASN : amide:sc= -0.269 K(o=-11,f=-15!) USER MOD Set 4.2: A 8 LYS NZ :NH3+ 172:sc= -0.503 (180deg=-0.0483) USER MOD Set 4.3: A 69 GLN : amide:sc= -10.3! C(o=-11!,f=-11!) USER MOD Single : A 11 SER OG : rot 180:sc=-0.00221 USER MOD Single : A 13 ASN : amide:sc= -6.53! C(o=-6.5!,f=-5.1!) USER MOD Single : A 14 CYS SG : rot -130:sc= -3.74! USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -8.89! C(o=-8.9!,f=-7.5!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0376 K(o=-0.038,f=-3.1!) USER MOD Single : A 26 MET CE :methyl -151:sc= -0.727 (180deg=-1.45!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= -1.69 (180deg=-5.33!) USER MOD Single : A 38 GLN : amide:sc= -4.85! C(o=-4.9!,f=-2.6!) USER MOD Single : A 41 MET CE :methyl -131:sc= -7.45! (180deg=-14.6!) USER MOD Single : A 42 TYR OH : rot 16:sc= -6.54! USER MOD Single : A 43 SER OG : rot 180:sc= 0.267 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -7.11! C(o=-7.1!,f=-4.5!) USER MOD Single : A 53 HIS : no HE2:sc= -17.6! C(o=-18!,f=-15!) USER MOD Single : A 56 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 58 MET CE :methyl -168:sc= -7.48! (180deg=-8.46!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.27) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 28.933 9.370 -19.967 1.00 0.00 N ATOM 14 CA ASP A 2 30.043 8.940 -19.069 1.00 0.00 C ATOM 15 C ASP A 2 30.218 7.425 -19.163 1.00 0.00 C ATOM 16 O ASP A 2 29.308 6.709 -19.534 1.00 0.00 O ATOM 17 CB ASP A 2 29.694 9.308 -17.628 1.00 0.00 C ATOM 18 CG ASP A 2 30.977 9.378 -16.794 1.00 0.00 C ATOM 19 OD1 ASP A 2 31.629 10.406 -16.832 1.00 0.00 O ATOM 20 OD2 ASP A 2 31.283 8.399 -16.131 1.00 0.00 O ATOM 0 HA ASP A 2 30.966 9.437 -19.369 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.177 10.267 -17.601 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.014 8.568 -17.207 1.00 0.00 H new ATOM 25 N LEU A 3 31.372 6.926 -18.815 1.00 0.00 N ATOM 26 CA LEU A 3 31.581 5.454 -18.871 1.00 0.00 C ATOM 27 C LEU A 3 30.764 4.804 -17.758 1.00 0.00 C ATOM 28 O LEU A 3 30.562 3.605 -17.740 1.00 0.00 O ATOM 29 CB LEU A 3 33.063 5.129 -18.676 1.00 0.00 C ATOM 30 CG LEU A 3 33.905 6.033 -19.575 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.768 6.952 -18.709 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.806 5.170 -20.461 1.00 0.00 C ATOM 0 H LEU A 3 32.174 7.470 -18.497 1.00 0.00 H new ATOM 0 HA LEU A 3 31.263 5.073 -19.842 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.344 5.273 -17.633 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.251 4.082 -18.916 1.00 0.00 H new ATOM 0 HG LEU A 3 33.249 6.637 -20.202 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.369 7.597 -19.350 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.126 7.565 -18.077 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.425 6.350 -18.082 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.408 5.813 -21.103 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.462 4.567 -19.834 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.190 4.515 -21.077 1.00 0.00 H new ATOM 44 N ALA A 4 30.255 5.591 -16.845 1.00 0.00 N ATOM 45 CA ALA A 4 29.418 5.017 -15.770 1.00 0.00 C ATOM 46 C ALA A 4 28.272 4.318 -16.471 1.00 0.00 C ATOM 47 O ALA A 4 27.747 3.317 -16.025 1.00 0.00 O ATOM 48 CB ALA A 4 28.879 6.137 -14.876 1.00 0.00 C ATOM 0 H ALA A 4 30.387 6.602 -16.804 1.00 0.00 H new ATOM 0 HA ALA A 4 29.983 4.331 -15.139 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.263 5.707 -14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.713 6.681 -14.431 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.277 6.822 -15.474 1.00 0.00 H new ATOM 54 N ASN A 5 27.920 4.847 -17.604 1.00 0.00 N ATOM 55 CA ASN A 5 26.850 4.255 -18.424 1.00 0.00 C ATOM 56 C ASN A 5 27.408 2.983 -19.057 1.00 0.00 C ATOM 57 O ASN A 5 26.735 1.980 -19.179 1.00 0.00 O ATOM 58 CB ASN A 5 26.481 5.263 -19.506 1.00 0.00 C ATOM 59 CG ASN A 5 25.049 5.754 -19.286 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.329 6.009 -20.232 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.603 5.901 -18.069 1.00 0.00 N ATOM 0 H ASN A 5 28.344 5.686 -18.000 1.00 0.00 H new ATOM 0 HA ASN A 5 25.966 4.016 -17.834 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.172 6.105 -19.483 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.571 4.804 -20.490 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.650 6.230 -17.911 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.207 5.687 -17.275 1.00 0.00 H new ATOM 68 N GLY A 6 28.657 3.013 -19.439 1.00 0.00 N ATOM 69 CA GLY A 6 29.279 1.805 -20.037 1.00 0.00 C ATOM 70 C GLY A 6 28.987 0.617 -19.126 1.00 0.00 C ATOM 71 O GLY A 6 28.385 -0.339 -19.533 1.00 0.00 O ATOM 0 H GLY A 6 29.270 3.824 -19.361 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.879 1.626 -21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.354 1.945 -20.145 1.00 0.00 H new ATOM 75 N ALA A 7 29.406 0.680 -17.891 1.00 0.00 N ATOM 76 CA ALA A 7 29.145 -0.445 -16.946 1.00 0.00 C ATOM 77 C ALA A 7 27.651 -0.758 -16.915 1.00 0.00 C ATOM 78 O ALA A 7 27.250 -1.891 -16.765 1.00 0.00 O ATOM 79 CB ALA A 7 29.589 -0.046 -15.539 1.00 0.00 C ATOM 0 H ALA A 7 29.920 1.466 -17.494 1.00 0.00 H new ATOM 0 HA ALA A 7 29.700 -1.322 -17.279 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.398 -0.869 -14.850 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.655 0.182 -15.545 1.00 0.00 H new ATOM 0 HB3 ALA A 7 29.032 0.834 -15.217 1.00 0.00 H new ATOM 85 N LYS A 8 26.823 0.237 -17.037 1.00 0.00 N ATOM 86 CA LYS A 8 25.359 -0.013 -17.001 1.00 0.00 C ATOM 87 C LYS A 8 24.988 -0.962 -18.141 1.00 0.00 C ATOM 88 O LYS A 8 24.120 -1.802 -18.007 1.00 0.00 O ATOM 89 CB LYS A 8 24.614 1.323 -17.151 1.00 0.00 C ATOM 90 CG LYS A 8 23.194 1.094 -17.702 1.00 0.00 C ATOM 91 CD LYS A 8 23.174 1.259 -19.233 1.00 0.00 C ATOM 92 CE LYS A 8 23.932 2.521 -19.637 1.00 0.00 C ATOM 93 NZ LYS A 8 23.128 3.289 -20.628 1.00 0.00 N ATOM 0 H LYS A 8 27.096 1.212 -17.160 1.00 0.00 H new ATOM 0 HA LYS A 8 25.077 -0.469 -16.052 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.558 1.825 -16.185 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.168 1.981 -17.821 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.851 0.095 -17.434 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.502 1.802 -17.245 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.626 0.387 -19.706 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.145 1.315 -19.587 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.130 3.136 -18.759 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.899 2.256 -20.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.578 4.210 -20.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.076 2.757 -21.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.168 3.437 -20.256 1.00 0.00 H new ATOM 107 N VAL A 9 25.632 -0.828 -19.266 1.00 0.00 N ATOM 108 CA VAL A 9 25.309 -1.713 -20.415 1.00 0.00 C ATOM 109 C VAL A 9 26.105 -3.018 -20.329 1.00 0.00 C ATOM 110 O VAL A 9 25.581 -4.084 -20.578 1.00 0.00 O ATOM 111 CB VAL A 9 25.660 -0.976 -21.705 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.687 -1.951 -22.887 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.601 0.087 -21.965 1.00 0.00 C ATOM 0 H VAL A 9 26.368 -0.143 -19.438 1.00 0.00 H new ATOM 0 HA VAL A 9 24.248 -1.961 -20.398 1.00 0.00 H new ATOM 0 HB VAL A 9 26.644 -0.520 -21.600 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.939 -1.410 -23.799 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.435 -2.723 -22.705 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.707 -2.414 -22.999 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.840 0.621 -22.884 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.625 -0.388 -22.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.579 0.790 -21.132 1.00 0.00 H new ATOM 123 N PHE A 10 27.364 -2.956 -19.999 1.00 0.00 N ATOM 124 CA PHE A 10 28.158 -4.206 -19.931 1.00 0.00 C ATOM 125 C PHE A 10 27.607 -5.124 -18.841 1.00 0.00 C ATOM 126 O PHE A 10 27.730 -6.331 -18.911 1.00 0.00 O ATOM 127 CB PHE A 10 29.620 -3.867 -19.644 1.00 0.00 C ATOM 128 CG PHE A 10 30.399 -5.150 -19.513 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.216 -5.941 -18.383 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.285 -5.556 -20.520 1.00 0.00 C ATOM 131 CE1 PHE A 10 30.912 -7.136 -18.247 1.00 0.00 C ATOM 132 CE2 PHE A 10 31.986 -6.762 -20.383 1.00 0.00 C ATOM 133 CZ PHE A 10 31.797 -7.552 -19.245 1.00 0.00 C ATOM 0 H PHE A 10 27.871 -2.100 -19.776 1.00 0.00 H new ATOM 0 HA PHE A 10 28.090 -4.725 -20.887 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.031 -3.256 -20.448 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.699 -3.282 -18.728 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.531 -5.625 -17.610 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.427 -4.943 -21.397 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.768 -7.745 -17.367 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.671 -7.080 -21.155 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.334 -8.483 -19.138 1.00 0.00 H new ATOM 143 N SER A 11 27.003 -4.566 -17.843 1.00 0.00 N ATOM 144 CA SER A 11 26.442 -5.405 -16.746 1.00 0.00 C ATOM 145 C SER A 11 25.027 -5.853 -17.119 1.00 0.00 C ATOM 146 O SER A 11 24.251 -6.254 -16.274 1.00 0.00 O ATOM 147 CB SER A 11 26.396 -4.591 -15.450 1.00 0.00 C ATOM 148 OG SER A 11 25.191 -3.843 -15.405 1.00 0.00 O ATOM 0 H SER A 11 26.869 -3.561 -17.732 1.00 0.00 H new ATOM 0 HA SER A 11 27.074 -6.281 -16.600 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.457 -5.255 -14.588 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.255 -3.922 -15.398 1.00 0.00 H new ATOM 0 HG SER A 11 25.160 -3.323 -14.575 1.00 0.00 H new ATOM 154 N GLY A 12 24.680 -5.790 -18.378 1.00 0.00 N ATOM 155 CA GLY A 12 23.316 -6.211 -18.788 1.00 0.00 C ATOM 156 C GLY A 12 23.309 -6.752 -20.227 1.00 0.00 C ATOM 157 O GLY A 12 22.263 -7.033 -20.778 1.00 0.00 O ATOM 0 H GLY A 12 25.283 -5.466 -19.135 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.950 -6.979 -18.107 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.633 -5.365 -18.712 1.00 0.00 H new ATOM 161 N ASN A 13 24.451 -6.911 -20.845 1.00 0.00 N ATOM 162 CA ASN A 13 24.465 -7.443 -22.242 1.00 0.00 C ATOM 163 C ASN A 13 25.787 -8.164 -22.499 1.00 0.00 C ATOM 164 O ASN A 13 25.813 -9.284 -22.968 1.00 0.00 O ATOM 165 CB ASN A 13 24.314 -6.291 -23.236 1.00 0.00 C ATOM 166 CG ASN A 13 23.194 -5.362 -22.769 1.00 0.00 C ATOM 167 OD1 ASN A 13 22.033 -5.717 -22.816 1.00 0.00 O ATOM 168 ND2 ASN A 13 23.498 -4.178 -22.320 1.00 0.00 N ATOM 0 H ASN A 13 25.366 -6.698 -20.448 1.00 0.00 H new ATOM 0 HA ASN A 13 23.637 -8.140 -22.369 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.250 -5.739 -23.315 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.089 -6.680 -24.229 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.761 -3.547 -22.007 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.473 -3.882 -22.281 1.00 0.00 H new ATOM 175 N CYS A 14 26.885 -7.534 -22.188 1.00 0.00 N ATOM 176 CA CYS A 14 28.203 -8.192 -22.407 1.00 0.00 C ATOM 177 C CYS A 14 28.419 -9.227 -21.299 1.00 0.00 C ATOM 178 O CYS A 14 29.061 -10.239 -21.491 1.00 0.00 O ATOM 179 CB CYS A 14 29.325 -7.148 -22.354 1.00 0.00 C ATOM 180 SG CYS A 14 28.742 -5.562 -23.015 1.00 0.00 S ATOM 0 H CYS A 14 26.927 -6.595 -21.793 1.00 0.00 H new ATOM 0 HA CYS A 14 28.216 -8.674 -23.384 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.663 -7.019 -21.326 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.183 -7.496 -22.930 1.00 0.00 H new ATOM 0 HG CYS A 14 29.591 -5.120 -23.895 1.00 0.00 H new ATOM 185 N ALA A 15 27.877 -8.969 -20.141 1.00 0.00 N ATOM 186 CA ALA A 15 28.029 -9.915 -18.998 1.00 0.00 C ATOM 187 C ALA A 15 27.825 -11.359 -19.472 1.00 0.00 C ATOM 188 O ALA A 15 28.537 -12.261 -19.074 1.00 0.00 O ATOM 189 CB ALA A 15 26.984 -9.583 -17.933 1.00 0.00 C ATOM 0 H ALA A 15 27.329 -8.134 -19.935 1.00 0.00 H new ATOM 0 HA ALA A 15 29.033 -9.816 -18.584 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.089 -10.271 -17.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.131 -8.561 -17.585 1.00 0.00 H new ATOM 0 HB3 ALA A 15 25.986 -9.681 -18.360 1.00 0.00 H new ATOM 195 N ALA A 16 26.846 -11.587 -20.303 1.00 0.00 N ATOM 196 CA ALA A 16 26.572 -12.973 -20.786 1.00 0.00 C ATOM 197 C ALA A 16 27.800 -13.560 -21.493 1.00 0.00 C ATOM 198 O ALA A 16 28.182 -14.687 -21.248 1.00 0.00 O ATOM 199 CB ALA A 16 25.397 -12.939 -21.764 1.00 0.00 C ATOM 0 H ALA A 16 26.220 -10.871 -20.671 1.00 0.00 H new ATOM 0 HA ALA A 16 26.334 -13.600 -19.927 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.191 -13.948 -22.121 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.515 -12.546 -21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.646 -12.299 -22.610 1.00 0.00 H new ATOM 205 N CYS A 17 28.412 -12.819 -22.375 1.00 0.00 N ATOM 206 CA CYS A 17 29.601 -13.353 -23.103 1.00 0.00 C ATOM 207 C CYS A 17 30.866 -12.684 -22.590 1.00 0.00 C ATOM 208 O CYS A 17 31.829 -12.518 -23.310 1.00 0.00 O ATOM 209 CB CYS A 17 29.449 -13.061 -24.580 1.00 0.00 C ATOM 210 SG CYS A 17 27.906 -13.811 -25.174 1.00 0.00 S ATOM 0 H CYS A 17 28.142 -11.868 -22.624 1.00 0.00 H new ATOM 0 HA CYS A 17 29.671 -14.428 -22.939 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.435 -11.985 -24.752 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.299 -13.461 -25.132 1.00 0.00 H new ATOM 0 HG CYS A 17 27.764 -13.564 -26.442 1.00 0.00 H new ATOM 215 N HIS A 18 30.867 -12.290 -21.355 1.00 0.00 N ATOM 216 CA HIS A 18 32.064 -11.617 -20.799 1.00 0.00 C ATOM 217 C HIS A 18 31.986 -11.651 -19.273 1.00 0.00 C ATOM 218 O HIS A 18 32.694 -12.388 -18.619 1.00 0.00 O ATOM 219 CB HIS A 18 32.073 -10.167 -21.289 1.00 0.00 C ATOM 220 CG HIS A 18 32.519 -10.120 -22.710 1.00 0.00 C ATOM 221 ND1 HIS A 18 33.852 -10.182 -23.042 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.835 -10.019 -23.891 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.938 -10.126 -24.374 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.737 -10.026 -24.948 1.00 0.00 N ATOM 0 H HIS A 18 30.090 -12.405 -20.705 1.00 0.00 H new ATOM 0 HA HIS A 18 32.975 -12.120 -21.123 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.076 -9.735 -21.196 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.739 -9.567 -20.669 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.762 -9.945 -23.987 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.869 -10.158 -24.921 1.00 0.00 H new ATOM 0 HE2 HIS A 18 32.527 -9.968 -25.944 1.00 0.00 H new ATOM 232 N MET A 19 31.112 -10.865 -18.720 1.00 0.00 N ATOM 233 CA MET A 19 30.932 -10.826 -17.235 1.00 0.00 C ATOM 234 C MET A 19 32.283 -10.931 -16.521 1.00 0.00 C ATOM 235 O MET A 19 32.835 -12.002 -16.361 1.00 0.00 O ATOM 236 CB MET A 19 30.034 -11.987 -16.800 1.00 0.00 C ATOM 237 CG MET A 19 30.492 -13.277 -17.483 1.00 0.00 C ATOM 238 SD MET A 19 29.486 -14.662 -16.890 1.00 0.00 S ATOM 239 CE MET A 19 30.571 -15.991 -17.463 1.00 0.00 C ATOM 0 H MET A 19 30.501 -10.234 -19.238 1.00 0.00 H new ATOM 0 HA MET A 19 30.469 -9.877 -16.966 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.073 -12.104 -15.717 1.00 0.00 H new ATOM 0 HB3 MET A 19 28.997 -11.775 -17.060 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.398 -13.182 -18.565 1.00 0.00 H new ATOM 0 HG3 MET A 19 31.545 -13.460 -17.269 1.00 0.00 H new ATOM 0 HE1 MET A 19 30.137 -16.955 -17.198 1.00 0.00 H new ATOM 0 HE2 MET A 19 30.683 -15.928 -18.545 1.00 0.00 H new ATOM 0 HE3 MET A 19 31.548 -15.892 -16.991 1.00 0.00 H new ATOM 249 N GLY A 20 32.814 -9.824 -16.077 1.00 0.00 N ATOM 250 CA GLY A 20 34.121 -9.855 -15.364 1.00 0.00 C ATOM 251 C GLY A 20 35.254 -9.761 -16.387 1.00 0.00 C ATOM 252 O GLY A 20 36.251 -10.449 -16.287 1.00 0.00 O ATOM 0 H GLY A 20 32.398 -8.898 -16.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.183 -9.027 -14.658 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.212 -10.775 -14.786 1.00 0.00 H new ATOM 256 N GLY A 21 35.104 -8.913 -17.368 1.00 0.00 N ATOM 257 CA GLY A 21 36.159 -8.760 -18.408 1.00 0.00 C ATOM 258 C GLY A 21 36.745 -10.129 -18.760 1.00 0.00 C ATOM 259 O GLY A 21 37.930 -10.362 -18.621 1.00 0.00 O ATOM 0 H GLY A 21 34.288 -8.315 -17.494 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.738 -8.295 -19.299 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.947 -8.100 -18.045 1.00 0.00 H new ATOM 263 N GLY A 22 35.926 -11.040 -19.211 1.00 0.00 N ATOM 264 CA GLY A 22 36.441 -12.392 -19.566 1.00 0.00 C ATOM 265 C GLY A 22 35.563 -13.002 -20.660 1.00 0.00 C ATOM 266 O GLY A 22 34.469 -13.465 -20.407 1.00 0.00 O ATOM 0 H GLY A 22 34.924 -10.906 -19.349 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.473 -12.321 -19.911 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.443 -13.035 -18.686 1.00 0.00 H new ATOM 270 N ASN A 23 36.036 -13.012 -21.877 1.00 0.00 N ATOM 271 CA ASN A 23 35.229 -13.597 -22.982 1.00 0.00 C ATOM 272 C ASN A 23 34.869 -15.042 -22.627 1.00 0.00 C ATOM 273 O ASN A 23 35.476 -15.645 -21.764 1.00 0.00 O ATOM 274 CB ASN A 23 36.043 -13.573 -24.278 1.00 0.00 C ATOM 275 CG ASN A 23 35.155 -13.103 -25.432 1.00 0.00 C ATOM 276 OD1 ASN A 23 33.987 -13.429 -25.486 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.664 -12.343 -26.363 1.00 0.00 N ATOM 0 H ASN A 23 36.945 -12.641 -22.152 1.00 0.00 H new ATOM 0 HA ASN A 23 34.317 -13.016 -23.121 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.899 -12.907 -24.170 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.437 -14.567 -24.490 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.080 -12.023 -27.136 1.00 0.00 H new ATOM 0 HD22 ASN A 23 36.645 -12.069 -26.318 1.00 0.00 H new ATOM 284 N VAL A 24 33.887 -15.605 -23.278 1.00 0.00 N ATOM 285 CA VAL A 24 33.503 -17.012 -22.959 1.00 0.00 C ATOM 286 C VAL A 24 33.575 -17.871 -24.219 1.00 0.00 C ATOM 287 O VAL A 24 33.829 -19.058 -24.156 1.00 0.00 O ATOM 288 CB VAL A 24 32.080 -17.041 -22.398 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.946 -15.988 -21.296 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.083 -16.740 -23.520 1.00 0.00 C ATOM 0 H VAL A 24 33.337 -15.157 -24.011 1.00 0.00 H new ATOM 0 HA VAL A 24 34.194 -17.411 -22.216 1.00 0.00 H new ATOM 0 HB VAL A 24 31.871 -18.027 -21.984 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.932 -16.008 -20.895 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.656 -16.204 -20.498 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.154 -15.001 -21.709 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.069 -16.761 -23.121 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.290 -15.754 -23.935 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.180 -17.491 -24.304 1.00 0.00 H new ATOM 300 N VAL A 25 33.357 -17.290 -25.363 1.00 0.00 N ATOM 301 CA VAL A 25 33.420 -18.089 -26.616 1.00 0.00 C ATOM 302 C VAL A 25 34.883 -18.294 -27.013 1.00 0.00 C ATOM 303 O VAL A 25 35.413 -19.384 -26.926 1.00 0.00 O ATOM 304 CB VAL A 25 32.684 -17.352 -27.733 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.428 -18.322 -28.886 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.348 -16.823 -27.205 1.00 0.00 C ATOM 0 H VAL A 25 33.139 -16.301 -25.485 1.00 0.00 H new ATOM 0 HA VAL A 25 32.947 -19.058 -26.454 1.00 0.00 H new ATOM 0 HB VAL A 25 33.289 -16.515 -28.082 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.903 -17.803 -29.688 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.379 -18.701 -29.261 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.820 -19.155 -28.533 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.824 -16.297 -28.003 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.738 -17.657 -26.858 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.530 -16.137 -26.377 1.00 0.00 H new ATOM 316 N MET A 26 35.545 -17.254 -27.444 1.00 0.00 N ATOM 317 CA MET A 26 36.975 -17.396 -27.838 1.00 0.00 C ATOM 318 C MET A 26 37.810 -17.726 -26.599 1.00 0.00 C ATOM 319 O MET A 26 37.476 -17.345 -25.494 1.00 0.00 O ATOM 320 CB MET A 26 37.470 -16.085 -28.453 1.00 0.00 C ATOM 321 CG MET A 26 36.953 -15.968 -29.888 1.00 0.00 C ATOM 322 SD MET A 26 37.693 -17.270 -30.903 1.00 0.00 S ATOM 323 CE MET A 26 36.223 -18.317 -31.031 1.00 0.00 C ATOM 0 H MET A 26 35.158 -16.315 -27.540 1.00 0.00 H new ATOM 0 HA MET A 26 37.074 -18.198 -28.570 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.123 -15.239 -27.860 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.560 -16.055 -28.444 1.00 0.00 H new ATOM 0 HG2 MET A 26 35.866 -16.054 -29.903 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.201 -14.988 -30.297 1.00 0.00 H new ATOM 0 HE1 MET A 26 36.526 -19.358 -31.144 1.00 0.00 H new ATOM 0 HE2 MET A 26 35.621 -18.211 -30.129 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.635 -18.014 -31.897 1.00 0.00 H new ATOM 333 N ALA A 27 38.894 -18.432 -26.770 1.00 0.00 N ATOM 334 CA ALA A 27 39.745 -18.785 -25.599 1.00 0.00 C ATOM 335 C ALA A 27 41.098 -18.078 -25.713 1.00 0.00 C ATOM 336 O ALA A 27 42.135 -18.709 -25.762 1.00 0.00 O ATOM 337 CB ALA A 27 39.963 -20.300 -25.565 1.00 0.00 C ATOM 0 H ALA A 27 39.227 -18.779 -27.669 1.00 0.00 H new ATOM 0 HA ALA A 27 39.248 -18.467 -24.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.586 -20.559 -24.709 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.000 -20.804 -25.480 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.458 -20.617 -26.483 1.00 0.00 H new ATOM 343 N ASN A 28 41.100 -16.772 -25.746 1.00 0.00 N ATOM 344 CA ASN A 28 42.382 -16.031 -25.846 1.00 0.00 C ATOM 345 C ASN A 28 42.101 -14.527 -25.833 1.00 0.00 C ATOM 346 O ASN A 28 42.764 -13.769 -25.152 1.00 0.00 O ATOM 347 CB ASN A 28 43.101 -16.415 -27.141 1.00 0.00 C ATOM 348 CG ASN A 28 42.335 -15.846 -28.337 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.796 -14.927 -28.983 1.00 0.00 O ATOM 350 ND2 ASN A 28 41.181 -16.360 -28.662 1.00 0.00 N ATOM 0 H ASN A 28 40.264 -16.188 -25.708 1.00 0.00 H new ATOM 0 HA ASN A 28 43.018 -16.287 -24.998 1.00 0.00 H new ATOM 0 HB2 ASN A 28 44.121 -16.030 -27.132 1.00 0.00 H new ATOM 0 HB3 ASN A 28 43.171 -17.500 -27.223 1.00 0.00 H new ATOM 0 HD21 ASN A 28 40.664 -15.990 -29.460 1.00 0.00 H new ATOM 0 HD22 ASN A 28 40.795 -17.132 -28.118 1.00 0.00 H new ATOM 357 N LYS A 29 41.117 -14.087 -26.569 1.00 0.00 N ATOM 358 CA LYS A 29 40.794 -12.633 -26.582 1.00 0.00 C ATOM 359 C LYS A 29 39.935 -12.301 -25.361 1.00 0.00 C ATOM 360 O LYS A 29 38.897 -12.894 -25.143 1.00 0.00 O ATOM 361 CB LYS A 29 40.012 -12.286 -27.850 1.00 0.00 C ATOM 362 CG LYS A 29 40.752 -12.809 -29.080 1.00 0.00 C ATOM 363 CD LYS A 29 39.841 -12.686 -30.306 1.00 0.00 C ATOM 364 CE LYS A 29 40.689 -12.410 -31.549 1.00 0.00 C ATOM 365 NZ LYS A 29 41.517 -13.609 -31.862 1.00 0.00 N ATOM 0 H LYS A 29 40.525 -14.670 -27.160 1.00 0.00 H new ATOM 0 HA LYS A 29 41.719 -12.058 -26.558 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.014 -12.723 -27.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 39.884 -11.206 -27.924 1.00 0.00 H new ATOM 0 HG2 LYS A 29 41.670 -12.242 -29.236 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.042 -13.849 -28.930 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.269 -13.604 -30.440 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.122 -11.881 -30.158 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.046 -12.168 -32.395 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.331 -11.546 -31.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 42.016 -13.461 -32.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.211 -13.760 -31.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.902 -14.444 -31.941 1.00 0.00 H new ATOM 379 N THR A 30 40.358 -11.366 -24.557 1.00 0.00 N ATOM 380 CA THR A 30 39.566 -11.009 -23.352 1.00 0.00 C ATOM 381 C THR A 30 39.194 -9.524 -23.413 1.00 0.00 C ATOM 382 O THR A 30 39.447 -8.850 -24.393 1.00 0.00 O ATOM 383 CB THR A 30 40.422 -11.278 -22.115 1.00 0.00 C ATOM 384 OG1 THR A 30 41.187 -12.457 -22.324 1.00 0.00 O ATOM 385 CG2 THR A 30 39.527 -11.462 -20.888 1.00 0.00 C ATOM 0 H THR A 30 41.219 -10.834 -24.684 1.00 0.00 H new ATOM 0 HA THR A 30 38.653 -11.603 -23.307 1.00 0.00 H new ATOM 0 HB THR A 30 41.086 -10.431 -21.946 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.739 -12.633 -21.534 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.146 -11.653 -20.011 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.940 -10.558 -20.727 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.857 -12.306 -21.050 1.00 0.00 H new ATOM 393 N LEU A 31 38.595 -9.009 -22.377 1.00 0.00 N ATOM 394 CA LEU A 31 38.211 -7.569 -22.375 1.00 0.00 C ATOM 395 C LEU A 31 39.238 -6.777 -21.581 1.00 0.00 C ATOM 396 O LEU A 31 39.276 -5.563 -21.634 1.00 0.00 O ATOM 397 CB LEU A 31 36.846 -7.403 -21.697 1.00 0.00 C ATOM 398 CG LEU A 31 35.678 -7.571 -22.700 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.960 -6.235 -22.886 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.164 -8.067 -24.071 1.00 0.00 C ATOM 0 H LEU A 31 38.354 -9.523 -21.530 1.00 0.00 H new ATOM 0 HA LEU A 31 38.165 -7.209 -23.403 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.746 -8.137 -20.898 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.788 -6.418 -21.234 1.00 0.00 H new ATOM 0 HG LEU A 31 34.999 -8.317 -22.286 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.139 -6.358 -23.592 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.566 -5.897 -21.927 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.662 -5.495 -23.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.312 -8.171 -24.743 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.870 -7.349 -24.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.655 -9.033 -23.955 1.00 0.00 H new ATOM 412 N LYS A 32 40.064 -7.449 -20.834 1.00 0.00 N ATOM 413 CA LYS A 32 41.071 -6.727 -20.023 1.00 0.00 C ATOM 414 C LYS A 32 41.988 -5.898 -20.934 1.00 0.00 C ATOM 415 O LYS A 32 41.643 -4.806 -21.340 1.00 0.00 O ATOM 416 CB LYS A 32 41.910 -7.730 -19.228 1.00 0.00 C ATOM 417 CG LYS A 32 41.140 -8.175 -17.985 1.00 0.00 C ATOM 418 CD LYS A 32 41.382 -9.667 -17.748 1.00 0.00 C ATOM 419 CE LYS A 32 42.877 -9.916 -17.531 1.00 0.00 C ATOM 420 NZ LYS A 32 43.154 -11.376 -17.638 1.00 0.00 N ATOM 0 H LYS A 32 40.084 -8.465 -20.752 1.00 0.00 H new ATOM 0 HA LYS A 32 40.555 -6.058 -19.334 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.147 -8.594 -19.849 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.858 -7.277 -18.938 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.464 -7.600 -17.117 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.075 -7.984 -18.115 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.817 -10.004 -16.879 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.027 -10.244 -18.602 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.460 -9.368 -18.272 1.00 0.00 H new ATOM 0 HE3 LYS A 32 43.180 -9.548 -16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 44.169 -11.548 -17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.608 -11.887 -16.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.879 -11.713 -18.583 1.00 0.00 H new ATOM 434 N LYS A 33 43.156 -6.400 -21.248 1.00 0.00 N ATOM 435 CA LYS A 33 44.088 -5.628 -22.119 1.00 0.00 C ATOM 436 C LYS A 33 45.346 -6.457 -22.390 1.00 0.00 C ATOM 437 O LYS A 33 45.892 -6.455 -23.474 1.00 0.00 O ATOM 438 CB LYS A 33 44.483 -4.331 -21.405 1.00 0.00 C ATOM 439 CG LYS A 33 45.516 -4.626 -20.310 1.00 0.00 C ATOM 440 CD LYS A 33 45.985 -3.313 -19.679 1.00 0.00 C ATOM 441 CE LYS A 33 44.912 -2.793 -18.723 1.00 0.00 C ATOM 442 NZ LYS A 33 45.165 -1.355 -18.425 1.00 0.00 N ATOM 0 H LYS A 33 43.502 -7.308 -20.939 1.00 0.00 H new ATOM 0 HA LYS A 33 43.596 -5.398 -23.064 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.895 -3.622 -22.123 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.601 -3.864 -20.967 1.00 0.00 H new ATOM 0 HG2 LYS A 33 45.079 -5.272 -19.548 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.366 -5.162 -20.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.920 -3.469 -19.142 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.183 -2.575 -20.456 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.924 -2.915 -19.167 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.920 -3.373 -17.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.395 -1.245 -17.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.962 -1.016 -19.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.315 -0.799 -18.649 1.00 0.00 H new ATOM 456 N GLU A 34 45.815 -7.153 -21.399 1.00 0.00 N ATOM 457 CA GLU A 34 47.041 -7.974 -21.571 1.00 0.00 C ATOM 458 C GLU A 34 46.893 -8.869 -22.802 1.00 0.00 C ATOM 459 O GLU A 34 47.861 -9.227 -23.443 1.00 0.00 O ATOM 460 CB GLU A 34 47.248 -8.845 -20.330 1.00 0.00 C ATOM 461 CG GLU A 34 48.333 -8.227 -19.447 1.00 0.00 C ATOM 462 CD GLU A 34 49.511 -9.197 -19.335 1.00 0.00 C ATOM 463 OE1 GLU A 34 49.871 -9.779 -20.345 1.00 0.00 O ATOM 464 OE2 GLU A 34 50.032 -9.342 -18.241 1.00 0.00 O ATOM 0 H GLU A 34 45.399 -7.189 -20.469 1.00 0.00 H new ATOM 0 HA GLU A 34 47.900 -7.317 -21.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 46.315 -8.930 -19.772 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.536 -9.854 -20.625 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.667 -7.280 -19.871 1.00 0.00 H new ATOM 0 HG3 GLU A 34 47.932 -8.009 -18.457 1.00 0.00 H new ATOM 471 N ALA A 35 45.687 -9.240 -23.129 1.00 0.00 N ATOM 472 CA ALA A 35 45.466 -10.116 -24.305 1.00 0.00 C ATOM 473 C ALA A 35 44.910 -9.300 -25.470 1.00 0.00 C ATOM 474 O ALA A 35 45.581 -9.067 -26.454 1.00 0.00 O ATOM 475 CB ALA A 35 44.470 -11.218 -23.940 1.00 0.00 C ATOM 0 H ALA A 35 44.841 -8.970 -22.627 1.00 0.00 H new ATOM 0 HA ALA A 35 46.417 -10.560 -24.600 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.307 -11.862 -24.804 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.868 -11.810 -23.116 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.524 -10.768 -23.639 1.00 0.00 H new ATOM 481 N LEU A 36 43.679 -8.888 -25.376 1.00 0.00 N ATOM 482 CA LEU A 36 43.065 -8.097 -26.481 1.00 0.00 C ATOM 483 C LEU A 36 44.094 -7.096 -27.018 1.00 0.00 C ATOM 484 O LEU A 36 44.209 -6.889 -28.210 1.00 0.00 O ATOM 485 CB LEU A 36 41.815 -7.360 -25.975 1.00 0.00 C ATOM 486 CG LEU A 36 42.082 -6.716 -24.609 1.00 0.00 C ATOM 487 CD1 LEU A 36 41.146 -5.523 -24.428 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.815 -7.723 -23.490 1.00 0.00 C ATOM 0 H LEU A 36 43.067 -9.065 -24.579 1.00 0.00 H new ATOM 0 HA LEU A 36 42.764 -8.769 -27.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.523 -6.594 -26.693 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.982 -8.058 -25.897 1.00 0.00 H new ATOM 0 HG LEU A 36 43.123 -6.394 -24.565 1.00 0.00 H new ATOM 0 HD11 LEU A 36 41.330 -5.060 -23.459 1.00 0.00 H new ATOM 0 HD12 LEU A 36 41.328 -4.795 -25.218 1.00 0.00 H new ATOM 0 HD13 LEU A 36 40.111 -5.862 -24.478 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.008 -7.254 -22.525 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.776 -8.049 -23.534 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.471 -8.585 -23.612 1.00 0.00 H new ATOM 500 N GLU A 37 44.862 -6.491 -26.156 1.00 0.00 N ATOM 501 CA GLU A 37 45.883 -5.532 -26.632 1.00 0.00 C ATOM 502 C GLU A 37 47.131 -6.299 -27.062 1.00 0.00 C ATOM 503 O GLU A 37 47.809 -5.925 -27.998 1.00 0.00 O ATOM 504 CB GLU A 37 46.235 -4.543 -25.525 1.00 0.00 C ATOM 505 CG GLU A 37 45.958 -3.129 -26.030 1.00 0.00 C ATOM 506 CD GLU A 37 47.268 -2.485 -26.489 1.00 0.00 C ATOM 507 OE1 GLU A 37 48.313 -2.934 -26.047 1.00 0.00 O ATOM 508 OE2 GLU A 37 47.204 -1.554 -27.275 1.00 0.00 O ATOM 0 H GLU A 37 44.823 -6.622 -25.145 1.00 0.00 H new ATOM 0 HA GLU A 37 45.486 -4.975 -27.481 1.00 0.00 H new ATOM 0 HB2 GLU A 37 45.644 -4.748 -24.632 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.283 -4.646 -25.245 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.247 -3.159 -26.855 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.504 -2.531 -25.239 1.00 0.00 H new ATOM 515 N GLN A 38 47.422 -7.389 -26.401 1.00 0.00 N ATOM 516 CA GLN A 38 48.598 -8.205 -26.784 1.00 0.00 C ATOM 517 C GLN A 38 48.562 -8.351 -28.305 1.00 0.00 C ATOM 518 O GLN A 38 49.546 -8.172 -28.995 1.00 0.00 O ATOM 519 CB GLN A 38 48.478 -9.577 -26.105 1.00 0.00 C ATOM 520 CG GLN A 38 49.087 -10.640 -26.990 1.00 0.00 C ATOM 521 CD GLN A 38 50.510 -10.214 -27.350 1.00 0.00 C ATOM 522 OE1 GLN A 38 51.069 -10.677 -28.323 1.00 0.00 O ATOM 523 NE2 GLN A 38 51.123 -9.342 -26.592 1.00 0.00 N ATOM 0 H GLN A 38 46.888 -7.746 -25.608 1.00 0.00 H new ATOM 0 HA GLN A 38 49.537 -7.745 -26.475 1.00 0.00 H new ATOM 0 HB2 GLN A 38 48.984 -9.561 -25.140 1.00 0.00 H new ATOM 0 HB3 GLN A 38 47.430 -9.807 -25.912 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.098 -11.601 -26.475 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.490 -10.769 -27.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.650 -8.955 -25.775 1.00 0.00 H new ATOM 0 HE22 GLN A 38 52.074 -9.049 -26.818 1.00 0.00 H new ATOM 532 N PHE A 39 47.400 -8.627 -28.816 1.00 0.00 N ATOM 533 CA PHE A 39 47.229 -8.738 -30.279 1.00 0.00 C ATOM 534 C PHE A 39 46.972 -7.342 -30.841 1.00 0.00 C ATOM 535 O PHE A 39 47.811 -6.751 -31.491 1.00 0.00 O ATOM 536 CB PHE A 39 46.022 -9.612 -30.626 1.00 0.00 C ATOM 537 CG PHE A 39 45.585 -10.446 -29.444 1.00 0.00 C ATOM 538 CD1 PHE A 39 46.275 -11.616 -29.104 1.00 0.00 C ATOM 539 CD2 PHE A 39 44.469 -10.049 -28.697 1.00 0.00 C ATOM 540 CE1 PHE A 39 45.847 -12.387 -28.013 1.00 0.00 C ATOM 541 CE2 PHE A 39 44.040 -10.819 -27.613 1.00 0.00 C ATOM 542 CZ PHE A 39 44.728 -11.988 -27.269 1.00 0.00 C ATOM 0 H PHE A 39 46.552 -8.782 -28.271 1.00 0.00 H new ATOM 0 HA PHE A 39 48.129 -9.185 -30.702 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.196 -8.980 -30.952 1.00 0.00 H new ATOM 0 HB3 PHE A 39 46.273 -10.266 -31.461 1.00 0.00 H new ATOM 0 HD1 PHE A 39 47.135 -11.924 -29.680 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.939 -9.146 -28.959 1.00 0.00 H new ATOM 0 HE1 PHE A 39 46.380 -13.288 -27.746 1.00 0.00 H new ATOM 0 HE2 PHE A 39 43.177 -10.512 -27.040 1.00 0.00 H new ATOM 0 HZ PHE A 39 44.397 -12.583 -26.430 1.00 0.00 H new ATOM 552 N GLY A 40 45.806 -6.817 -30.590 1.00 0.00 N ATOM 553 CA GLY A 40 45.460 -5.464 -31.096 1.00 0.00 C ATOM 554 C GLY A 40 43.936 -5.347 -31.171 1.00 0.00 C ATOM 555 O GLY A 40 43.331 -5.670 -32.173 1.00 0.00 O ATOM 0 H GLY A 40 45.071 -7.274 -30.050 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.866 -4.698 -30.436 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.901 -5.304 -32.080 1.00 0.00 H new ATOM 559 N MET A 41 43.306 -4.916 -30.110 1.00 0.00 N ATOM 560 CA MET A 41 41.817 -4.818 -30.127 1.00 0.00 C ATOM 561 C MET A 41 41.301 -4.305 -28.781 1.00 0.00 C ATOM 562 O MET A 41 40.191 -4.601 -28.384 1.00 0.00 O ATOM 563 CB MET A 41 41.258 -6.216 -30.336 1.00 0.00 C ATOM 564 CG MET A 41 41.866 -7.127 -29.267 1.00 0.00 C ATOM 565 SD MET A 41 40.626 -8.304 -28.676 1.00 0.00 S ATOM 566 CE MET A 41 41.237 -9.747 -29.582 1.00 0.00 C ATOM 0 H MET A 41 43.754 -4.630 -29.239 1.00 0.00 H new ATOM 0 HA MET A 41 41.509 -4.135 -30.919 1.00 0.00 H new ATOM 0 HB2 MET A 41 40.171 -6.208 -30.258 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.504 -6.581 -31.333 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.721 -7.663 -29.679 1.00 0.00 H new ATOM 0 HG3 MET A 41 42.236 -6.528 -28.435 1.00 0.00 H new ATOM 0 HE1 MET A 41 40.408 -10.230 -30.099 1.00 0.00 H new ATOM 0 HE2 MET A 41 41.983 -9.430 -30.310 1.00 0.00 H new ATOM 0 HE3 MET A 41 41.688 -10.451 -28.883 1.00 0.00 H new ATOM 576 N TYR A 42 42.089 -3.561 -28.066 1.00 0.00 N ATOM 577 CA TYR A 42 41.629 -3.064 -26.742 1.00 0.00 C ATOM 578 C TYR A 42 41.371 -1.559 -26.824 1.00 0.00 C ATOM 579 O TYR A 42 41.428 -0.851 -25.840 1.00 0.00 O ATOM 580 CB TYR A 42 42.719 -3.365 -25.710 1.00 0.00 C ATOM 581 CG TYR A 42 42.327 -2.815 -24.360 1.00 0.00 C ATOM 582 CD1 TYR A 42 40.977 -2.638 -24.037 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.319 -2.486 -23.426 1.00 0.00 C ATOM 584 CE1 TYR A 42 40.618 -2.133 -22.782 1.00 0.00 C ATOM 585 CE2 TYR A 42 42.960 -1.982 -22.171 1.00 0.00 C ATOM 586 CZ TYR A 42 41.610 -1.806 -21.848 1.00 0.00 C ATOM 587 OH TYR A 42 41.254 -1.309 -20.610 1.00 0.00 O ATOM 0 H TYR A 42 43.030 -3.275 -28.338 1.00 0.00 H new ATOM 0 HA TYR A 42 40.702 -3.557 -26.449 1.00 0.00 H new ATOM 0 HB2 TYR A 42 42.876 -4.441 -25.640 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.664 -2.925 -26.029 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.212 -2.891 -24.756 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.361 -2.622 -23.675 1.00 0.00 H new ATOM 0 HE1 TYR A 42 39.576 -1.995 -22.533 1.00 0.00 H new ATOM 0 HE2 TYR A 42 43.725 -1.729 -21.452 1.00 0.00 H new ATOM 0 HH TYR A 42 40.303 -1.483 -20.449 1.00 0.00 H new ATOM 597 N SER A 43 41.120 -1.064 -28.005 1.00 0.00 N ATOM 598 CA SER A 43 40.890 0.398 -28.174 1.00 0.00 C ATOM 599 C SER A 43 39.411 0.686 -28.460 1.00 0.00 C ATOM 600 O SER A 43 38.700 -0.135 -29.006 1.00 0.00 O ATOM 601 CB SER A 43 41.726 0.890 -29.355 1.00 0.00 C ATOM 602 OG SER A 43 40.992 0.720 -30.559 1.00 0.00 O ATOM 0 H SER A 43 41.064 -1.612 -28.863 1.00 0.00 H new ATOM 0 HA SER A 43 41.176 0.910 -27.255 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.984 1.940 -29.219 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.663 0.336 -29.407 1.00 0.00 H new ATOM 0 HG SER A 43 41.527 1.037 -31.316 1.00 0.00 H new ATOM 608 N GLU A 44 38.954 1.859 -28.114 1.00 0.00 N ATOM 609 CA GLU A 44 37.537 2.233 -28.379 1.00 0.00 C ATOM 610 C GLU A 44 37.131 1.770 -29.776 1.00 0.00 C ATOM 611 O GLU A 44 36.282 0.925 -29.927 1.00 0.00 O ATOM 612 CB GLU A 44 37.403 3.754 -28.284 1.00 0.00 C ATOM 613 CG GLU A 44 36.745 4.127 -26.953 1.00 0.00 C ATOM 614 CD GLU A 44 35.729 5.248 -27.182 1.00 0.00 C ATOM 615 OE1 GLU A 44 34.690 4.969 -27.760 1.00 0.00 O ATOM 616 OE2 GLU A 44 36.007 6.364 -26.778 1.00 0.00 O ATOM 0 H GLU A 44 39.509 2.581 -27.654 1.00 0.00 H new ATOM 0 HA GLU A 44 36.887 1.755 -27.646 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.385 4.222 -28.360 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.806 4.130 -29.115 1.00 0.00 H new ATOM 0 HG2 GLU A 44 36.251 3.256 -26.523 1.00 0.00 H new ATOM 0 HG3 GLU A 44 37.502 4.449 -26.238 1.00 0.00 H new ATOM 623 N ASP A 45 37.718 2.323 -30.798 1.00 0.00 N ATOM 624 CA ASP A 45 37.346 1.917 -32.178 1.00 0.00 C ATOM 625 C ASP A 45 37.424 0.394 -32.327 1.00 0.00 C ATOM 626 O ASP A 45 36.668 -0.205 -33.066 1.00 0.00 O ATOM 627 CB ASP A 45 38.294 2.577 -33.165 1.00 0.00 C ATOM 628 CG ASP A 45 37.750 2.417 -34.586 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.674 1.860 -34.728 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.417 2.857 -35.508 1.00 0.00 O ATOM 0 H ASP A 45 38.441 3.040 -30.736 1.00 0.00 H new ATOM 0 HA ASP A 45 36.323 2.234 -32.379 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.407 3.634 -32.925 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.284 2.126 -33.091 1.00 0.00 H new ATOM 635 N ALA A 46 38.332 -0.239 -31.637 1.00 0.00 N ATOM 636 CA ALA A 46 38.458 -1.722 -31.747 1.00 0.00 C ATOM 637 C ALA A 46 37.179 -2.399 -31.262 1.00 0.00 C ATOM 638 O ALA A 46 36.400 -2.920 -32.036 1.00 0.00 O ATOM 639 CB ALA A 46 39.639 -2.196 -30.899 1.00 0.00 C ATOM 0 H ALA A 46 38.993 0.206 -31.001 1.00 0.00 H new ATOM 0 HA ALA A 46 38.624 -1.987 -32.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.732 -3.279 -30.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.555 -1.726 -31.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.472 -1.921 -29.857 1.00 0.00 H new ATOM 645 N ILE A 47 36.969 -2.415 -29.983 1.00 0.00 N ATOM 646 CA ILE A 47 35.755 -3.070 -29.429 1.00 0.00 C ATOM 647 C ILE A 47 34.502 -2.364 -29.934 1.00 0.00 C ATOM 648 O ILE A 47 33.407 -2.872 -29.836 1.00 0.00 O ATOM 649 CB ILE A 47 35.831 -2.983 -27.921 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.647 -3.711 -27.296 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.800 -1.522 -27.489 1.00 0.00 C ATOM 652 CD1 ILE A 47 34.744 -3.595 -25.778 1.00 0.00 C ATOM 0 H ILE A 47 37.590 -2.000 -29.289 1.00 0.00 H new ATOM 0 HA ILE A 47 35.706 -4.112 -29.747 1.00 0.00 H new ATOM 0 HB ILE A 47 36.760 -3.447 -27.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.710 -3.280 -27.648 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.648 -4.759 -27.595 1.00 0.00 H new ATOM 0 HG21 ILE A 47 35.855 -1.463 -26.402 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.649 -0.996 -27.924 1.00 0.00 H new ATOM 0 HG23 ILE A 47 34.873 -1.061 -27.831 1.00 0.00 H new ATOM 0 HD11 ILE A 47 33.902 -4.112 -25.319 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.676 -4.046 -25.437 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.724 -2.544 -25.491 1.00 0.00 H new ATOM 664 N ILE A 48 34.667 -1.207 -30.492 1.00 0.00 N ATOM 665 CA ILE A 48 33.501 -0.460 -31.036 1.00 0.00 C ATOM 666 C ILE A 48 33.123 -1.099 -32.373 1.00 0.00 C ATOM 667 O ILE A 48 31.979 -1.097 -32.773 1.00 0.00 O ATOM 668 CB ILE A 48 33.890 1.017 -31.214 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.869 1.728 -29.858 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.899 1.715 -32.131 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.642 3.043 -29.959 1.00 0.00 C ATOM 0 H ILE A 48 35.567 -0.738 -30.598 1.00 0.00 H new ATOM 0 HA ILE A 48 32.647 -0.504 -30.360 1.00 0.00 H new ATOM 0 HB ILE A 48 34.889 1.057 -31.647 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.841 1.921 -29.553 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.314 1.090 -29.094 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.186 2.760 -32.249 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.899 1.227 -33.106 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.901 1.659 -31.697 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.627 3.549 -28.994 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.674 2.838 -30.245 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.177 3.681 -30.711 1.00 0.00 H new ATOM 683 N TYR A 49 34.080 -1.674 -33.053 1.00 0.00 N ATOM 684 CA TYR A 49 33.776 -2.341 -34.348 1.00 0.00 C ATOM 685 C TYR A 49 33.318 -3.783 -34.101 1.00 0.00 C ATOM 686 O TYR A 49 32.644 -4.368 -34.920 1.00 0.00 O ATOM 687 CB TYR A 49 35.005 -2.349 -35.255 1.00 0.00 C ATOM 688 CG TYR A 49 34.592 -2.923 -36.586 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.426 -4.304 -36.722 1.00 0.00 C ATOM 690 CD2 TYR A 49 34.344 -2.077 -37.671 1.00 0.00 C ATOM 691 CE1 TYR A 49 34.014 -4.842 -37.943 1.00 0.00 C ATOM 692 CE2 TYR A 49 33.937 -2.615 -38.897 1.00 0.00 C ATOM 693 CZ TYR A 49 33.770 -3.999 -39.032 1.00 0.00 C ATOM 694 OH TYR A 49 33.362 -4.531 -40.238 1.00 0.00 O ATOM 0 H TYR A 49 35.058 -1.709 -32.766 1.00 0.00 H new ATOM 0 HA TYR A 49 32.979 -1.783 -34.839 1.00 0.00 H new ATOM 0 HB2 TYR A 49 35.395 -1.339 -35.379 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.802 -2.946 -34.812 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.617 -4.956 -35.882 1.00 0.00 H new ATOM 0 HD2 TYR A 49 34.466 -1.009 -37.563 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.884 -5.909 -38.046 1.00 0.00 H new ATOM 0 HE2 TYR A 49 33.752 -1.964 -39.738 1.00 0.00 H new ATOM 0 HH TYR A 49 33.236 -3.809 -40.888 1.00 0.00 H new ATOM 704 N GLN A 50 33.648 -4.379 -32.988 1.00 0.00 N ATOM 705 CA GLN A 50 33.148 -5.769 -32.773 1.00 0.00 C ATOM 706 C GLN A 50 31.921 -5.714 -31.866 1.00 0.00 C ATOM 707 O GLN A 50 31.165 -6.657 -31.778 1.00 0.00 O ATOM 708 CB GLN A 50 34.211 -6.687 -32.165 1.00 0.00 C ATOM 709 CG GLN A 50 35.038 -5.940 -31.142 1.00 0.00 C ATOM 710 CD GLN A 50 36.315 -5.437 -31.817 1.00 0.00 C ATOM 711 OE1 GLN A 50 36.403 -5.417 -33.029 1.00 0.00 O ATOM 712 NE2 GLN A 50 37.315 -5.026 -31.088 1.00 0.00 N ATOM 0 H GLN A 50 34.221 -3.983 -32.242 1.00 0.00 H new ATOM 0 HA GLN A 50 32.889 -6.190 -33.744 1.00 0.00 H new ATOM 0 HB2 GLN A 50 33.732 -7.546 -31.696 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.859 -7.074 -32.952 1.00 0.00 H new ATOM 0 HG2 GLN A 50 34.470 -5.103 -30.736 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.285 -6.594 -30.305 1.00 0.00 H new ATOM 0 HE21 GLN A 50 37.245 -5.041 -30.071 1.00 0.00 H new ATOM 0 HE22 GLN A 50 38.168 -4.689 -31.535 1.00 0.00 H new ATOM 721 N VAL A 51 31.705 -4.603 -31.210 1.00 0.00 N ATOM 722 CA VAL A 51 30.514 -4.475 -30.319 1.00 0.00 C ATOM 723 C VAL A 51 29.343 -3.895 -31.112 1.00 0.00 C ATOM 724 O VAL A 51 28.191 -4.157 -30.817 1.00 0.00 O ATOM 725 CB VAL A 51 30.845 -3.550 -29.143 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.554 -3.123 -28.439 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.735 -4.301 -28.152 1.00 0.00 C ATOM 0 H VAL A 51 32.303 -3.778 -31.253 1.00 0.00 H new ATOM 0 HA VAL A 51 30.242 -5.459 -29.937 1.00 0.00 H new ATOM 0 HB VAL A 51 31.363 -2.665 -29.512 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.795 -2.466 -27.604 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.913 -2.594 -29.144 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.033 -4.005 -28.067 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.975 -3.649 -27.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.210 -5.184 -27.788 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.656 -4.606 -28.649 1.00 0.00 H new ATOM 737 N GLN A 52 29.613 -3.124 -32.129 1.00 0.00 N ATOM 738 CA GLN A 52 28.521 -2.561 -32.922 1.00 0.00 C ATOM 739 C GLN A 52 28.150 -3.563 -33.990 1.00 0.00 C ATOM 740 O GLN A 52 27.237 -3.351 -34.762 1.00 0.00 O ATOM 741 CB GLN A 52 29.012 -1.307 -33.603 1.00 0.00 C ATOM 742 CG GLN A 52 28.049 -0.152 -33.334 1.00 0.00 C ATOM 743 CD GLN A 52 28.834 1.156 -33.221 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.475 2.147 -33.826 1.00 0.00 O ATOM 745 NE2 GLN A 52 29.899 1.202 -32.469 1.00 0.00 N ATOM 0 H GLN A 52 30.552 -2.867 -32.435 1.00 0.00 H new ATOM 0 HA GLN A 52 27.666 -2.336 -32.285 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.008 -1.053 -33.240 1.00 0.00 H new ATOM 0 HB3 GLN A 52 29.098 -1.477 -34.676 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.318 -0.080 -34.139 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.494 -0.335 -32.414 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.201 0.371 -31.961 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.430 2.069 -32.389 1.00 0.00 H new ATOM 754 N HIS A 53 28.875 -4.647 -34.082 1.00 0.00 N ATOM 755 CA HIS A 53 28.564 -5.601 -35.136 1.00 0.00 C ATOM 756 C HIS A 53 29.129 -6.958 -34.768 1.00 0.00 C ATOM 757 O HIS A 53 29.369 -7.791 -35.619 1.00 0.00 O ATOM 758 CB HIS A 53 29.197 -5.155 -36.437 1.00 0.00 C ATOM 759 CG HIS A 53 29.771 -3.746 -36.331 1.00 0.00 C ATOM 760 ND1 HIS A 53 29.566 -2.790 -37.314 1.00 0.00 N ATOM 761 CD2 HIS A 53 30.538 -3.117 -35.369 1.00 0.00 C ATOM 762 CE1 HIS A 53 30.196 -1.662 -36.923 1.00 0.00 C ATOM 763 NE2 HIS A 53 30.806 -1.814 -35.755 1.00 0.00 N ATOM 0 H HIS A 53 29.655 -4.894 -33.473 1.00 0.00 H new ATOM 0 HA HIS A 53 27.482 -5.660 -35.252 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.989 -5.851 -36.714 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.453 -5.186 -37.233 1.00 0.00 H new ATOM 0 HD1 HIS A 53 29.036 -2.916 -38.176 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.878 -3.574 -34.451 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.203 -0.745 -37.493 1.00 0.00 H new ATOM 771 N GLY A 54 29.358 -7.191 -33.510 1.00 0.00 N ATOM 772 CA GLY A 54 29.921 -8.494 -33.123 1.00 0.00 C ATOM 773 C GLY A 54 31.112 -8.781 -34.016 1.00 0.00 C ATOM 774 O GLY A 54 31.920 -7.927 -34.314 1.00 0.00 O ATOM 0 H GLY A 54 29.180 -6.540 -32.746 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.225 -8.481 -32.076 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.171 -9.278 -33.227 1.00 0.00 H new ATOM 778 N LYS A 55 31.193 -9.986 -34.430 1.00 0.00 N ATOM 779 CA LYS A 55 32.301 -10.440 -35.315 1.00 0.00 C ATOM 780 C LYS A 55 32.473 -11.948 -35.164 1.00 0.00 C ATOM 781 O LYS A 55 32.481 -12.471 -34.070 1.00 0.00 O ATOM 782 CB LYS A 55 33.602 -9.746 -34.926 1.00 0.00 C ATOM 783 CG LYS A 55 33.965 -8.735 -36.013 1.00 0.00 C ATOM 784 CD LYS A 55 34.924 -7.693 -35.442 1.00 0.00 C ATOM 785 CE LYS A 55 36.135 -7.550 -36.365 1.00 0.00 C ATOM 786 NZ LYS A 55 37.336 -7.206 -35.552 1.00 0.00 N ATOM 0 H LYS A 55 30.520 -10.715 -34.192 1.00 0.00 H new ATOM 0 HA LYS A 55 32.059 -10.191 -36.348 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.489 -9.243 -33.966 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.401 -10.479 -34.810 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.427 -9.245 -36.859 1.00 0.00 H new ATOM 0 HG3 LYS A 55 33.064 -8.249 -36.387 1.00 0.00 H new ATOM 0 HD2 LYS A 55 34.416 -6.734 -35.340 1.00 0.00 H new ATOM 0 HD3 LYS A 55 35.247 -7.990 -34.444 1.00 0.00 H new ATOM 0 HE2 LYS A 55 36.304 -8.479 -36.909 1.00 0.00 H new ATOM 0 HE3 LYS A 55 35.951 -6.775 -37.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 38.012 -6.677 -36.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 37.050 -6.622 -34.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 37.785 -8.079 -35.209 1.00 0.00 H new ATOM 800 N ASN A 56 32.609 -12.652 -36.252 1.00 0.00 N ATOM 801 CA ASN A 56 32.775 -14.126 -36.160 1.00 0.00 C ATOM 802 C ASN A 56 31.621 -14.710 -35.340 1.00 0.00 C ATOM 803 O ASN A 56 30.591 -15.073 -35.871 1.00 0.00 O ATOM 804 CB ASN A 56 34.104 -14.449 -35.476 1.00 0.00 C ATOM 805 CG ASN A 56 35.261 -14.062 -36.400 1.00 0.00 C ATOM 806 OD1 ASN A 56 35.876 -14.911 -37.014 1.00 0.00 O ATOM 807 ND2 ASN A 56 35.586 -12.803 -36.526 1.00 0.00 N ATOM 0 H ASN A 56 32.612 -12.271 -37.198 1.00 0.00 H new ATOM 0 HA ASN A 56 32.771 -14.560 -37.160 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.181 -13.908 -34.533 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.154 -15.512 -35.238 1.00 0.00 H new ATOM 0 HD21 ASN A 56 36.355 -12.534 -37.139 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.070 -12.089 -36.011 1.00 0.00 H new ATOM 814 N ALA A 57 31.784 -14.798 -34.047 1.00 0.00 N ATOM 815 CA ALA A 57 30.696 -15.351 -33.193 1.00 0.00 C ATOM 816 C ALA A 57 30.287 -14.309 -32.147 1.00 0.00 C ATOM 817 O ALA A 57 30.052 -14.626 -30.997 1.00 0.00 O ATOM 818 CB ALA A 57 31.195 -16.617 -32.492 1.00 0.00 C ATOM 0 H ALA A 57 32.625 -14.510 -33.546 1.00 0.00 H new ATOM 0 HA ALA A 57 29.834 -15.596 -33.813 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.400 -17.024 -31.866 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.483 -17.357 -33.239 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.057 -16.373 -31.871 1.00 0.00 H new ATOM 824 N MET A 58 30.199 -13.064 -32.537 1.00 0.00 N ATOM 825 CA MET A 58 29.806 -11.996 -31.573 1.00 0.00 C ATOM 826 C MET A 58 28.513 -11.326 -32.077 1.00 0.00 C ATOM 827 O MET A 58 28.307 -11.209 -33.268 1.00 0.00 O ATOM 828 CB MET A 58 30.952 -10.990 -31.461 1.00 0.00 C ATOM 829 CG MET A 58 30.695 -10.031 -30.310 1.00 0.00 C ATOM 830 SD MET A 58 32.094 -8.903 -30.130 1.00 0.00 S ATOM 831 CE MET A 58 31.159 -7.549 -29.388 1.00 0.00 C ATOM 0 H MET A 58 30.384 -12.741 -33.487 1.00 0.00 H new ATOM 0 HA MET A 58 29.615 -12.410 -30.583 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.894 -11.516 -31.303 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.050 -10.434 -32.393 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.781 -9.466 -30.493 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.545 -10.589 -29.386 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.771 -6.647 -29.377 1.00 0.00 H new ATOM 0 HE2 MET A 58 30.256 -7.368 -29.971 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.884 -7.813 -28.367 1.00 0.00 H new ATOM 841 N PRO A 59 27.653 -10.968 -31.151 1.00 0.00 N ATOM 842 CA PRO A 59 26.330 -10.377 -31.463 1.00 0.00 C ATOM 843 C PRO A 59 26.351 -8.892 -31.872 1.00 0.00 C ATOM 844 O PRO A 59 26.275 -8.009 -31.042 1.00 0.00 O ATOM 845 CB PRO A 59 25.550 -10.565 -30.157 1.00 0.00 C ATOM 846 CG PRO A 59 26.592 -10.727 -29.030 1.00 0.00 C ATOM 847 CD PRO A 59 27.916 -11.123 -29.702 1.00 0.00 C ATOM 0 HA PRO A 59 25.895 -10.862 -32.337 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.905 -9.707 -29.966 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.905 -11.442 -30.215 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.705 -9.798 -28.472 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.276 -11.490 -28.319 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.735 -10.482 -29.376 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.196 -12.147 -29.456 1.00 0.00 H new ATOM 855 N ALA A 60 26.392 -8.619 -33.158 1.00 0.00 N ATOM 856 CA ALA A 60 26.346 -7.220 -33.649 1.00 0.00 C ATOM 857 C ALA A 60 25.194 -6.459 -32.988 1.00 0.00 C ATOM 858 O ALA A 60 24.039 -6.732 -33.245 1.00 0.00 O ATOM 859 CB ALA A 60 26.084 -7.274 -35.156 1.00 0.00 C ATOM 0 H ALA A 60 26.456 -9.325 -33.892 1.00 0.00 H new ATOM 0 HA ALA A 60 27.283 -6.715 -33.416 1.00 0.00 H new ATOM 0 HB1 ALA A 60 26.043 -6.260 -35.555 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.887 -7.824 -35.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 25.134 -7.776 -35.342 1.00 0.00 H new ATOM 865 N PHE A 61 25.486 -5.486 -32.166 1.00 0.00 N ATOM 866 CA PHE A 61 24.405 -4.713 -31.543 1.00 0.00 C ATOM 867 C PHE A 61 23.945 -3.668 -32.556 1.00 0.00 C ATOM 868 O PHE A 61 22.773 -3.547 -32.851 1.00 0.00 O ATOM 869 CB PHE A 61 24.938 -4.038 -30.279 1.00 0.00 C ATOM 870 CG PHE A 61 25.284 -5.105 -29.267 1.00 0.00 C ATOM 871 CD1 PHE A 61 26.390 -5.939 -29.476 1.00 0.00 C ATOM 872 CD2 PHE A 61 24.495 -5.268 -28.125 1.00 0.00 C ATOM 873 CE1 PHE A 61 26.703 -6.934 -28.547 1.00 0.00 C ATOM 874 CE2 PHE A 61 24.810 -6.263 -27.192 1.00 0.00 C ATOM 875 CZ PHE A 61 25.913 -7.095 -27.404 1.00 0.00 C ATOM 0 H PHE A 61 26.431 -5.203 -31.907 1.00 0.00 H new ATOM 0 HA PHE A 61 23.568 -5.353 -31.264 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.819 -3.440 -30.513 1.00 0.00 H new ATOM 0 HB3 PHE A 61 24.190 -3.358 -29.870 1.00 0.00 H new ATOM 0 HD1 PHE A 61 27.002 -5.812 -30.357 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.642 -4.626 -27.962 1.00 0.00 H new ATOM 0 HE1 PHE A 61 27.554 -7.578 -28.711 1.00 0.00 H new ATOM 0 HE2 PHE A 61 24.201 -6.388 -26.309 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.156 -7.863 -26.684 1.00 0.00 H new ATOM 885 N ALA A 62 24.876 -2.921 -33.097 1.00 0.00 N ATOM 886 CA ALA A 62 24.528 -1.879 -34.106 1.00 0.00 C ATOM 887 C ALA A 62 23.230 -1.189 -33.702 1.00 0.00 C ATOM 888 O ALA A 62 22.499 -0.680 -34.530 1.00 0.00 O ATOM 889 CB ALA A 62 24.354 -2.534 -35.478 1.00 0.00 C ATOM 0 H ALA A 62 25.870 -2.991 -32.879 1.00 0.00 H new ATOM 0 HA ALA A 62 25.329 -1.141 -34.155 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.100 -1.772 -36.215 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.284 -3.024 -35.768 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.554 -3.273 -35.429 1.00 0.00 H new ATOM 895 N GLY A 63 22.935 -1.171 -32.435 1.00 0.00 N ATOM 896 CA GLY A 63 21.683 -0.521 -31.976 1.00 0.00 C ATOM 897 C GLY A 63 20.916 -1.505 -31.104 1.00 0.00 C ATOM 898 O GLY A 63 19.701 -1.503 -31.059 1.00 0.00 O ATOM 0 H GLY A 63 23.509 -1.579 -31.697 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.911 0.385 -31.414 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.077 -0.221 -32.831 1.00 0.00 H new ATOM 902 N ARG A 64 21.623 -2.332 -30.390 1.00 0.00 N ATOM 903 CA ARG A 64 20.959 -3.299 -29.496 1.00 0.00 C ATOM 904 C ARG A 64 21.055 -2.693 -28.113 1.00 0.00 C ATOM 905 O ARG A 64 20.075 -2.547 -27.409 1.00 0.00 O ATOM 906 CB ARG A 64 21.686 -4.636 -29.569 1.00 0.00 C ATOM 907 CG ARG A 64 21.278 -5.516 -28.396 1.00 0.00 C ATOM 908 CD ARG A 64 22.145 -6.766 -28.427 1.00 0.00 C ATOM 909 NE ARG A 64 21.307 -7.946 -28.780 1.00 0.00 N ATOM 910 CZ ARG A 64 21.342 -9.017 -28.036 1.00 0.00 C ATOM 911 NH1 ARG A 64 20.977 -8.954 -26.785 1.00 0.00 N ATOM 912 NH2 ARG A 64 21.737 -10.151 -28.544 1.00 0.00 N ATOM 0 H ARG A 64 22.642 -2.375 -30.392 1.00 0.00 H new ATOM 0 HA ARG A 64 19.920 -3.486 -29.769 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.451 -5.136 -30.508 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.764 -4.474 -29.555 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.410 -4.983 -27.455 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.223 -5.781 -28.466 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.948 -6.646 -29.155 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.616 -6.919 -27.456 1.00 0.00 H new ATOM 0 HE ARG A 64 20.706 -7.917 -29.603 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.664 -8.068 -26.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.004 -9.791 -26.203 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.019 -10.201 -29.523 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.764 -10.988 -27.962 1.00 0.00 H new ATOM 926 N LEU A 65 22.233 -2.259 -27.753 1.00 0.00 N ATOM 927 CA LEU A 65 22.380 -1.566 -26.450 1.00 0.00 C ATOM 928 C LEU A 65 21.549 -0.286 -26.551 1.00 0.00 C ATOM 929 O LEU A 65 20.482 -0.275 -27.131 1.00 0.00 O ATOM 930 CB LEU A 65 23.864 -1.234 -26.185 1.00 0.00 C ATOM 931 CG LEU A 65 24.709 -2.510 -26.011 1.00 0.00 C ATOM 932 CD1 LEU A 65 23.830 -3.710 -25.641 1.00 0.00 C ATOM 933 CD2 LEU A 65 25.457 -2.801 -27.308 1.00 0.00 C ATOM 0 H LEU A 65 23.088 -2.355 -28.301 1.00 0.00 H new ATOM 0 HA LEU A 65 22.039 -2.191 -25.624 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.259 -0.646 -27.013 1.00 0.00 H new ATOM 0 HB3 LEU A 65 23.945 -0.618 -25.289 1.00 0.00 H new ATOM 0 HG LEU A 65 25.419 -2.347 -25.200 1.00 0.00 H new ATOM 0 HD11 LEU A 65 24.454 -4.596 -25.525 1.00 0.00 H new ATOM 0 HD12 LEU A 65 23.311 -3.506 -24.704 1.00 0.00 H new ATOM 0 HD13 LEU A 65 23.099 -3.882 -26.431 1.00 0.00 H new ATOM 0 HD21 LEU A 65 26.056 -3.704 -27.188 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.741 -2.946 -28.117 1.00 0.00 H new ATOM 0 HD23 LEU A 65 26.110 -1.962 -27.548 1.00 0.00 H new ATOM 945 N THR A 66 22.024 0.784 -26.016 1.00 0.00 N ATOM 946 CA THR A 66 21.259 2.063 -26.102 1.00 0.00 C ATOM 947 C THR A 66 21.816 2.907 -27.257 1.00 0.00 C ATOM 948 O THR A 66 21.084 3.364 -28.112 1.00 0.00 O ATOM 949 CB THR A 66 21.382 2.845 -24.780 1.00 0.00 C ATOM 950 OG1 THR A 66 20.531 2.260 -23.806 1.00 0.00 O ATOM 951 CG2 THR A 66 20.970 4.299 -25.009 1.00 0.00 C ATOM 0 H THR A 66 22.912 0.841 -25.518 1.00 0.00 H new ATOM 0 HA THR A 66 20.207 1.842 -26.282 1.00 0.00 H new ATOM 0 HB THR A 66 22.414 2.811 -24.430 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.609 2.755 -22.964 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.057 4.853 -24.074 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.621 4.748 -25.759 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.938 4.334 -25.357 1.00 0.00 H new ATOM 959 N ASP A 67 23.108 3.113 -27.264 1.00 0.00 N ATOM 960 CA ASP A 67 23.771 3.930 -28.328 1.00 0.00 C ATOM 961 C ASP A 67 25.005 4.563 -27.696 1.00 0.00 C ATOM 962 O ASP A 67 26.134 4.306 -28.079 1.00 0.00 O ATOM 963 CB ASP A 67 22.830 5.037 -28.809 1.00 0.00 C ATOM 964 CG ASP A 67 22.146 4.600 -30.106 1.00 0.00 C ATOM 965 OD1 ASP A 67 22.407 3.493 -30.548 1.00 0.00 O ATOM 966 OD2 ASP A 67 21.371 5.380 -30.635 1.00 0.00 O ATOM 0 H ASP A 67 23.747 2.741 -26.561 1.00 0.00 H new ATOM 0 HA ASP A 67 24.032 3.306 -29.183 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.082 5.250 -28.045 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.389 5.958 -28.973 1.00 0.00 H new ATOM 971 N GLU A 68 24.782 5.350 -26.679 1.00 0.00 N ATOM 972 CA GLU A 68 25.899 5.992 -25.934 1.00 0.00 C ATOM 973 C GLU A 68 26.683 4.913 -25.180 1.00 0.00 C ATOM 974 O GLU A 68 27.661 5.193 -24.530 1.00 0.00 O ATOM 975 CB GLU A 68 25.298 6.954 -24.917 1.00 0.00 C ATOM 976 CG GLU A 68 24.629 8.117 -25.648 1.00 0.00 C ATOM 977 CD GLU A 68 25.698 9.103 -26.125 1.00 0.00 C ATOM 978 OE1 GLU A 68 26.352 9.692 -25.279 1.00 0.00 O ATOM 979 OE2 GLU A 68 25.845 9.250 -27.327 1.00 0.00 O ATOM 0 H GLU A 68 23.852 5.579 -26.327 1.00 0.00 H new ATOM 0 HA GLU A 68 26.560 6.518 -26.622 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.569 6.434 -24.295 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.076 7.328 -24.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.057 7.745 -26.498 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.925 8.620 -24.985 1.00 0.00 H new ATOM 986 N GLN A 69 26.240 3.688 -25.277 1.00 0.00 N ATOM 987 CA GLN A 69 26.909 2.544 -24.599 1.00 0.00 C ATOM 988 C GLN A 69 27.519 1.695 -25.695 1.00 0.00 C ATOM 989 O GLN A 69 28.581 1.133 -25.551 1.00 0.00 O ATOM 990 CB GLN A 69 25.904 1.741 -23.786 1.00 0.00 C ATOM 991 CG GLN A 69 24.553 2.464 -23.756 1.00 0.00 C ATOM 992 CD GLN A 69 24.700 3.857 -23.126 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.767 4.635 -23.144 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.829 4.215 -22.568 1.00 0.00 N ATOM 0 H GLN A 69 25.415 3.427 -25.817 1.00 0.00 H new ATOM 0 HA GLN A 69 27.673 2.889 -23.902 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.784 0.748 -24.219 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.274 1.603 -22.770 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.161 2.556 -24.769 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.832 1.876 -23.188 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.617 3.567 -22.549 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.921 5.142 -22.152 1.00 0.00 H new ATOM 1003 N ILE A 70 26.919 1.695 -26.854 1.00 0.00 N ATOM 1004 CA ILE A 70 27.571 0.991 -27.983 1.00 0.00 C ATOM 1005 C ILE A 70 28.987 1.567 -28.026 1.00 0.00 C ATOM 1006 O ILE A 70 29.934 0.966 -28.493 1.00 0.00 O ATOM 1007 CB ILE A 70 26.839 1.340 -29.278 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.536 0.550 -29.356 1.00 0.00 C ATOM 1009 CG2 ILE A 70 27.726 0.992 -30.474 1.00 0.00 C ATOM 1010 CD1 ILE A 70 25.862 -0.919 -29.612 1.00 0.00 C ATOM 0 H ILE A 70 26.026 2.142 -27.062 1.00 0.00 H new ATOM 0 HA ILE A 70 27.564 -0.093 -27.869 1.00 0.00 H new ATOM 0 HB ILE A 70 26.614 2.406 -29.294 1.00 0.00 H new ATOM 0 HG12 ILE A 70 24.975 0.655 -28.427 1.00 0.00 H new ATOM 0 HG13 ILE A 70 24.906 0.941 -30.155 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.205 1.241 -31.398 1.00 0.00 H new ATOM 0 HG22 ILE A 70 28.654 1.561 -30.417 1.00 0.00 H new ATOM 0 HG23 ILE A 70 27.953 -0.074 -30.461 1.00 0.00 H new ATOM 0 HD11 ILE A 70 24.937 -1.492 -29.669 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.406 -1.013 -30.552 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.477 -1.303 -28.798 1.00 0.00 H new ATOM 1022 N GLN A 71 29.084 2.765 -27.505 1.00 0.00 N ATOM 1023 CA GLN A 71 30.335 3.517 -27.425 1.00 0.00 C ATOM 1024 C GLN A 71 30.934 3.413 -26.015 1.00 0.00 C ATOM 1025 O GLN A 71 32.043 2.962 -25.821 1.00 0.00 O ATOM 1026 CB GLN A 71 29.950 4.962 -27.659 1.00 0.00 C ATOM 1027 CG GLN A 71 29.959 5.258 -29.159 1.00 0.00 C ATOM 1028 CD GLN A 71 30.871 6.449 -29.416 1.00 0.00 C ATOM 1029 OE1 GLN A 71 31.536 6.520 -30.431 1.00 0.00 O ATOM 1030 NE2 GLN A 71 30.928 7.396 -28.527 1.00 0.00 N ATOM 0 H GLN A 71 28.285 3.264 -27.114 1.00 0.00 H new ATOM 0 HA GLN A 71 31.064 3.140 -28.143 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.961 5.157 -27.245 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.647 5.623 -27.143 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.309 4.387 -29.714 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.949 5.473 -29.508 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.368 7.332 -27.677 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.533 8.203 -28.680 1.00 0.00 H new ATOM 1039 N ASP A 72 30.193 3.875 -25.040 1.00 0.00 N ATOM 1040 CA ASP A 72 30.661 3.866 -23.630 1.00 0.00 C ATOM 1041 C ASP A 72 31.119 2.475 -23.230 1.00 0.00 C ATOM 1042 O ASP A 72 32.151 2.322 -22.660 1.00 0.00 O ATOM 1043 CB ASP A 72 29.520 4.296 -22.712 1.00 0.00 C ATOM 1044 CG ASP A 72 29.603 5.802 -22.459 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.617 6.385 -22.803 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.651 6.348 -21.924 1.00 0.00 O ATOM 0 H ASP A 72 29.260 4.267 -25.171 1.00 0.00 H new ATOM 0 HA ASP A 72 31.498 4.558 -23.537 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.561 4.046 -23.166 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.576 3.755 -21.767 1.00 0.00 H new ATOM 1051 N VAL A 73 30.350 1.465 -23.514 1.00 0.00 N ATOM 1052 CA VAL A 73 30.754 0.077 -23.142 1.00 0.00 C ATOM 1053 C VAL A 73 32.134 -0.204 -23.721 1.00 0.00 C ATOM 1054 O VAL A 73 32.914 -0.968 -23.186 1.00 0.00 O ATOM 1055 CB VAL A 73 29.770 -0.907 -23.748 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.962 -2.275 -23.105 1.00 0.00 C ATOM 1057 CG2 VAL A 73 28.355 -0.420 -23.505 1.00 0.00 C ATOM 0 H VAL A 73 29.452 1.538 -23.991 1.00 0.00 H new ATOM 0 HA VAL A 73 30.767 -0.025 -22.057 1.00 0.00 H new ATOM 0 HB VAL A 73 29.944 -0.985 -24.821 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.256 -2.983 -23.539 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.980 -2.621 -23.284 1.00 0.00 H new ATOM 0 HG13 VAL A 73 29.787 -2.200 -22.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 27.648 -1.126 -23.940 1.00 0.00 H new ATOM 0 HG22 VAL A 73 28.176 -0.341 -22.433 1.00 0.00 H new ATOM 0 HG23 VAL A 73 28.222 0.558 -23.968 1.00 0.00 H new ATOM 1067 N ALA A 74 32.442 0.420 -24.806 1.00 0.00 N ATOM 1068 CA ALA A 74 33.787 0.217 -25.411 1.00 0.00 C ATOM 1069 C ALA A 74 34.792 1.041 -24.603 1.00 0.00 C ATOM 1070 O ALA A 74 35.607 0.516 -23.888 1.00 0.00 O ATOM 1071 CB ALA A 74 33.785 0.678 -26.871 1.00 0.00 C ATOM 0 H ALA A 74 31.829 1.063 -25.307 1.00 0.00 H new ATOM 0 HA ALA A 74 34.055 -0.839 -25.390 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.774 0.524 -27.302 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.050 0.102 -27.433 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.529 1.736 -26.918 1.00 0.00 H new ATOM 1077 N ALA A 75 34.714 2.332 -24.657 1.00 0.00 N ATOM 1078 CA ALA A 75 35.643 3.141 -23.826 1.00 0.00 C ATOM 1079 C ALA A 75 35.568 2.599 -22.385 1.00 0.00 C ATOM 1080 O ALA A 75 36.473 2.741 -21.588 1.00 0.00 O ATOM 1081 CB ALA A 75 35.178 4.599 -23.859 1.00 0.00 C ATOM 0 H ALA A 75 34.058 2.861 -25.231 1.00 0.00 H new ATOM 0 HA ALA A 75 36.666 3.082 -24.197 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.849 5.209 -23.254 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.187 4.961 -24.887 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.166 4.667 -23.460 1.00 0.00 H new ATOM 1087 N TYR A 76 34.466 1.970 -22.085 1.00 0.00 N ATOM 1088 CA TYR A 76 34.202 1.379 -20.739 1.00 0.00 C ATOM 1089 C TYR A 76 35.183 0.254 -20.459 1.00 0.00 C ATOM 1090 O TYR A 76 35.747 0.167 -19.394 1.00 0.00 O ATOM 1091 CB TYR A 76 32.777 0.819 -20.761 1.00 0.00 C ATOM 1092 CG TYR A 76 32.534 -0.114 -19.617 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.182 0.406 -18.407 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.648 -1.488 -19.780 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.935 -0.422 -17.325 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.398 -2.339 -18.696 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.040 -1.802 -17.464 1.00 0.00 C ATOM 1098 OH TYR A 76 31.795 -2.631 -16.388 1.00 0.00 O ATOM 0 H TYR A 76 33.703 1.835 -22.748 1.00 0.00 H new ATOM 0 HA TYR A 76 34.317 2.135 -19.962 1.00 0.00 H new ATOM 0 HB2 TYR A 76 32.062 1.641 -20.719 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.606 0.295 -21.701 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.095 1.476 -18.291 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.928 -1.899 -20.739 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.660 0.004 -16.372 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.483 -3.409 -18.816 1.00 0.00 H new ATOM 0 HH TYR A 76 32.642 -2.854 -15.948 1.00 0.00 H new ATOM 1108 N VAL A 77 35.380 -0.613 -21.403 1.00 0.00 N ATOM 1109 CA VAL A 77 36.331 -1.729 -21.193 1.00 0.00 C ATOM 1110 C VAL A 77 37.733 -1.148 -21.107 1.00 0.00 C ATOM 1111 O VAL A 77 38.630 -1.728 -20.528 1.00 0.00 O ATOM 1112 CB VAL A 77 36.235 -2.692 -22.372 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.155 -1.893 -23.648 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.466 -3.603 -22.426 1.00 0.00 C ATOM 0 H VAL A 77 34.922 -0.597 -22.314 1.00 0.00 H new ATOM 0 HA VAL A 77 36.098 -2.269 -20.275 1.00 0.00 H new ATOM 0 HB VAL A 77 35.346 -3.312 -22.253 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.086 -2.571 -24.498 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.273 -1.253 -23.622 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.048 -1.276 -23.748 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.379 -4.283 -23.274 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.364 -2.995 -22.539 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.532 -4.180 -21.504 1.00 0.00 H new ATOM 1124 N LEU A 78 37.920 0.011 -21.670 1.00 0.00 N ATOM 1125 CA LEU A 78 39.260 0.656 -21.611 1.00 0.00 C ATOM 1126 C LEU A 78 39.432 1.285 -20.225 1.00 0.00 C ATOM 1127 O LEU A 78 40.507 1.704 -19.846 1.00 0.00 O ATOM 1128 CB LEU A 78 39.362 1.749 -22.682 1.00 0.00 C ATOM 1129 CG LEU A 78 38.547 1.354 -23.920 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.860 2.318 -25.065 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.911 -0.069 -24.347 1.00 0.00 C ATOM 0 H LEU A 78 37.204 0.540 -22.168 1.00 0.00 H new ATOM 0 HA LEU A 78 40.037 -0.087 -21.791 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.996 2.695 -22.283 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.405 1.902 -22.958 1.00 0.00 H new ATOM 0 HG LEU A 78 37.485 1.400 -23.679 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.281 2.038 -25.945 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.599 3.334 -24.767 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.923 2.271 -25.300 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.329 -0.345 -25.227 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.974 -0.117 -24.585 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.690 -0.761 -23.534 1.00 0.00 H new ATOM 1143 N ASP A 79 38.362 1.370 -19.482 1.00 0.00 N ATOM 1144 CA ASP A 79 38.406 1.981 -18.143 1.00 0.00 C ATOM 1145 C ASP A 79 38.452 0.886 -17.078 1.00 0.00 C ATOM 1146 O ASP A 79 39.055 1.033 -16.036 1.00 0.00 O ATOM 1147 CB ASP A 79 37.120 2.776 -17.966 1.00 0.00 C ATOM 1148 CG ASP A 79 37.404 4.052 -17.168 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.247 3.999 -16.287 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.776 5.057 -17.452 1.00 0.00 O ATOM 0 H ASP A 79 37.442 1.030 -19.763 1.00 0.00 H new ATOM 0 HA ASP A 79 39.286 2.616 -18.043 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.702 3.031 -18.940 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.376 2.171 -17.448 1.00 0.00 H new ATOM 1155 N GLN A 80 37.786 -0.201 -17.342 1.00 0.00 N ATOM 1156 CA GLN A 80 37.732 -1.321 -16.370 1.00 0.00 C ATOM 1157 C GLN A 80 39.037 -2.107 -16.400 1.00 0.00 C ATOM 1158 O GLN A 80 39.551 -2.516 -15.377 1.00 0.00 O ATOM 1159 CB GLN A 80 36.580 -2.243 -16.759 1.00 0.00 C ATOM 1160 CG GLN A 80 35.329 -1.411 -17.036 1.00 0.00 C ATOM 1161 CD GLN A 80 34.369 -1.535 -15.852 1.00 0.00 C ATOM 1162 OE1 GLN A 80 33.972 -2.625 -15.488 1.00 0.00 O ATOM 1163 NE2 GLN A 80 33.977 -0.457 -15.230 1.00 0.00 N ATOM 0 H GLN A 80 37.268 -0.361 -18.206 1.00 0.00 H new ATOM 0 HA GLN A 80 37.583 -0.926 -15.365 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.847 -2.822 -17.643 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.385 -2.956 -15.958 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.600 -0.367 -17.192 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.844 -1.755 -17.950 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.310 0.458 -15.535 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.338 -0.529 -14.439 1.00 0.00 H new ATOM 1172 N ALA A 81 39.580 -2.328 -17.561 1.00 0.00 N ATOM 1173 CA ALA A 81 40.853 -3.095 -17.641 1.00 0.00 C ATOM 1174 C ALA A 81 41.977 -2.250 -17.057 1.00 0.00 C ATOM 1175 O ALA A 81 42.980 -2.756 -16.595 1.00 0.00 O ATOM 1176 CB ALA A 81 41.173 -3.417 -19.101 1.00 0.00 C ATOM 0 H ALA A 81 39.201 -2.013 -18.454 1.00 0.00 H new ATOM 0 HA ALA A 81 40.753 -4.025 -17.081 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.106 -3.978 -19.154 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.366 -4.013 -19.527 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.276 -2.489 -19.664 1.00 0.00 H new ATOM 1182 N ALA A 82 41.823 -0.961 -17.098 1.00 0.00 N ATOM 1183 CA ALA A 82 42.879 -0.069 -16.576 1.00 0.00 C ATOM 1184 C ALA A 82 42.668 0.220 -15.087 1.00 0.00 C ATOM 1185 O ALA A 82 43.302 1.097 -14.534 1.00 0.00 O ATOM 1186 CB ALA A 82 42.855 1.250 -17.350 1.00 0.00 C ATOM 0 H ALA A 82 41.003 -0.486 -17.475 1.00 0.00 H new ATOM 0 HA ALA A 82 43.841 -0.565 -16.701 1.00 0.00 H new ATOM 0 HB1 ALA A 82 43.633 1.911 -16.967 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.033 1.055 -18.408 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.882 1.726 -17.227 1.00 0.00 H new ATOM 1192 N LYS A 83 41.791 -0.487 -14.416 1.00 0.00 N ATOM 1193 CA LYS A 83 41.599 -0.183 -12.967 1.00 0.00 C ATOM 1194 C LYS A 83 40.896 -1.317 -12.221 1.00 0.00 C ATOM 1195 O LYS A 83 40.220 -1.084 -11.238 1.00 0.00 O ATOM 1196 CB LYS A 83 40.781 1.103 -12.823 1.00 0.00 C ATOM 1197 CG LYS A 83 39.299 0.812 -13.083 1.00 0.00 C ATOM 1198 CD LYS A 83 38.504 2.119 -13.018 1.00 0.00 C ATOM 1199 CE LYS A 83 37.017 1.803 -12.835 1.00 0.00 C ATOM 1200 NZ LYS A 83 36.555 2.325 -11.518 1.00 0.00 N ATOM 0 H LYS A 83 41.216 -1.239 -14.796 1.00 0.00 H new ATOM 0 HA LYS A 83 42.587 -0.063 -12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 83 40.909 1.515 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 83 41.142 1.854 -13.526 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.175 0.346 -14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 83 38.921 0.106 -12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 83 38.861 2.733 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 83 38.655 2.695 -13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 83 36.437 2.254 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 83 36.854 0.727 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 35.545 2.110 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 37.101 1.875 -10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 36.696 3.355 -11.484 1.00 0.00 H new ATOM 1214 N GLY A 84 41.053 -2.535 -12.639 1.00 0.00 N ATOM 1215 CA GLY A 84 40.389 -3.634 -11.897 1.00 0.00 C ATOM 1216 C GLY A 84 39.029 -3.906 -12.518 1.00 0.00 C ATOM 1217 O GLY A 84 38.004 -3.548 -11.979 1.00 0.00 O ATOM 0 H GLY A 84 41.604 -2.816 -13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.003 -4.534 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.275 -3.363 -10.847 1.00 0.00 H new ATOM 1221 N TRP A 85 39.034 -4.554 -13.641 1.00 0.00 N ATOM 1222 CA TRP A 85 37.764 -4.905 -14.344 1.00 0.00 C ATOM 1223 C TRP A 85 36.683 -5.267 -13.328 1.00 0.00 C ATOM 1224 O TRP A 85 36.514 -6.413 -12.961 1.00 0.00 O ATOM 1225 CB TRP A 85 37.994 -6.103 -15.262 1.00 0.00 C ATOM 1226 CG TRP A 85 37.853 -5.687 -16.681 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.822 -5.759 -17.618 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.686 -5.137 -17.334 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.312 -5.287 -18.814 1.00 0.00 N ATOM 1230 CE2 TRP A 85 36.997 -4.893 -18.686 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.401 -4.831 -16.882 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.055 -4.364 -19.564 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.450 -4.290 -17.765 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.777 -4.058 -19.101 1.00 0.00 C ATOM 0 H TRP A 85 39.881 -4.865 -14.117 1.00 0.00 H new ATOM 0 HA TRP A 85 37.443 -4.044 -14.930 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.988 -6.517 -15.092 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.277 -6.891 -15.032 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.826 -6.124 -17.460 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.843 -5.237 -19.683 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.137 -5.010 -15.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.313 -4.192 -20.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.459 -4.052 -17.406 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.042 -3.643 -19.774 1.00 0.00 H new ATOM 1245 N ALA A 86 35.948 -4.294 -12.878 1.00 0.00 N ATOM 1246 CA ALA A 86 34.872 -4.560 -11.891 1.00 0.00 C ATOM 1247 C ALA A 86 33.854 -5.529 -12.498 1.00 0.00 C ATOM 1248 O ALA A 86 33.302 -6.372 -11.818 1.00 0.00 O ATOM 1249 CB ALA A 86 34.174 -3.248 -11.528 1.00 0.00 C ATOM 0 H ALA A 86 36.048 -3.317 -13.154 1.00 0.00 H new ATOM 0 HA ALA A 86 35.304 -5.000 -10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.384 -3.445 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 86 34.899 -2.558 -11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.741 -2.806 -12.425 1.00 0.00 H new