USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 800 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 29 GLN :FLIP amide:sc= 0.00724 F(o=-0.61,f=0.017) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= 0.0102 F(o=-0.61,f=0.017) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 166:sc= 1.67 (180deg=0.108) USER MOD Set 2.2: A 80 ASN : amide:sc= 1.09 K(o=2.8,f=-8.1!) USER MOD Set 3.1: A 69 SER OG : rot -153:sc= 0.995 USER MOD Set 3.2: A 71 GLN : amide:sc= 2.26 K(o=5.6,f=-8.4!) USER MOD Set 3.3: A 87 LYS NZ :NH3+ -160:sc= 2.35 (180deg=0) USER MOD Set 4.1: A 42 ASN : amide:sc= 0.372 K(o=0.54,f=-0.37) USER MOD Set 4.2: A 62 SER OG : rot 85:sc= 0.171 USER MOD Set 5.1: A 39 TYR OH : rot 180:sc= 0.767 USER MOD Set 5.2: A 40 LYS NZ :NH3+ -171:sc= 3.63 (180deg=2.18) USER MOD Set 6.1: A 27 THR OG1 : rot 82:sc= 1.03 USER MOD Set 6.2: A 74 MET CE :methyl 157:sc= -2.34 (180deg=-3.22) USER MOD Set 7.1: A 7 TYR OH : rot -120:sc= 1.28 USER MOD Set 7.2: A 94 SER OG : rot 180:sc= 1.11 USER MOD Single : A 6 GLN : amide:sc= -1.39! C(o=-1.4!,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.902 (180deg=-2.06!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 15 THR OG1 : rot 110:sc= 1.09 USER MOD Single : A 17 ASN : amide:sc=-0.00158 K(o=-0.0016,f=-0.88) USER MOD Single : A 18 TYR OH : rot 130:sc= 0.17 USER MOD Single : A 19 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.5) USER MOD Single : A 21 ASN : amide:sc= -0.246 K(o=-0.25,f=-6.1!) USER MOD Single : A 22 THR OG1 : rot 170:sc= -0.135 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.18 K(o=1.2,f=-0.016) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 33 ASN : amide:sc= -0.386 K(o=-0.39,f=-3.1!) USER MOD Single : A 35 GLN : amide:sc= 0.377 X(o=0.38,f=-0.045) USER MOD Single : A 36 THR OG1 : rot 171:sc= 1.06 USER MOD Single : A 41 SER OG : rot -51:sc= 0.453 USER MOD Single : A 44 TYR OH : rot 78:sc= -0.0146 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 49 ASN : amide:sc=-0.00674 X(o=-0.0067,f=-0.0067) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.773 (180deg=0.651) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.181 K(o=-0.18,f=-3.1!) USER MOD Single : A 54 THR OG1 : rot -38:sc= 0.218 USER MOD Single : A 60 SER OG : rot -150:sc= -0.661 USER MOD Single : A 64 SER OG : rot 87:sc= 1.28 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -20:sc= 0.117 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.608 (180deg=0.348) USER MOD Single : A 79 ASN : amide:sc= -0.153 K(o=-0.15,f=-3.3!) USER MOD Single : A 82 THR OG1 : rot 75:sc= 0.351 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -157:sc= -0.268 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.0971 F(o=-0.74,f=-0.097) USER MOD Single : A 93 ASN : amide:sc= -4.13! C(o=-4.1!,f=-6.6!) USER MOD Single : A 97 SER OG : rot -26:sc= -3.72! USER MOD Single : A 98 SER OG : rot 102:sc= 1.26 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc=-0.00126 X(o=-0.0013,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -3.107 -11.780 4.446 1.00 31.32 N ATOM 73 CA GLN A 6 -2.207 -12.862 4.122 1.00 55.10 C ATOM 74 C GLN A 6 -0.798 -12.298 4.207 1.00 14.43 C ATOM 75 O GLN A 6 -0.557 -11.158 3.769 1.00 41.24 O ATOM 76 CB GLN A 6 -2.396 -13.323 2.674 1.00 52.44 C ATOM 77 CG GLN A 6 -3.826 -13.558 2.237 1.00 30.32 C ATOM 78 CD GLN A 6 -3.935 -13.960 0.772 1.00 61.40 C ATOM 79 OE1 GLN A 6 -4.871 -14.637 0.363 1.00 34.12 O ATOM 80 NE2 GLN A 6 -2.975 -13.559 -0.036 1.00 73.52 N ATOM 0 HA GLN A 6 -2.391 -13.696 4.799 1.00 55.10 H new ATOM 0 HB2 GLN A 6 -1.953 -12.577 2.015 1.00 52.44 H new ATOM 0 HB3 GLN A 6 -1.836 -14.247 2.531 1.00 52.44 H new ATOM 0 HG2 GLN A 6 -4.267 -14.338 2.857 1.00 30.32 H new ATOM 0 HG3 GLN A 6 -4.406 -12.651 2.405 1.00 30.32 H new ATOM 0 HE21 GLN A 6 -2.205 -12.996 0.326 1.00 73.52 H new ATOM 0 HE22 GLN A 6 -3.001 -13.811 -1.024 1.00 73.52 H new ATOM 89 N TYR A 7 0.108 -13.049 4.745 1.00 50.00 N ATOM 90 CA TYR A 7 1.489 -12.642 4.795 1.00 60.14 C ATOM 91 C TYR A 7 2.288 -13.681 4.046 1.00 51.15 C ATOM 92 O TYR A 7 2.223 -14.860 4.389 1.00 1.45 O ATOM 93 CB TYR A 7 1.984 -12.538 6.253 1.00 33.22 C ATOM 94 CG TYR A 7 3.402 -12.006 6.383 1.00 30.13 C ATOM 95 CD1 TYR A 7 4.509 -12.841 6.228 1.00 11.34 C ATOM 96 CD2 TYR A 7 3.631 -10.667 6.641 1.00 43.33 C ATOM 97 CE1 TYR A 7 5.791 -12.352 6.328 1.00 1.20 C ATOM 98 CE2 TYR A 7 4.914 -10.173 6.736 1.00 13.23 C ATOM 99 CZ TYR A 7 5.987 -11.015 6.578 1.00 33.31 C ATOM 100 OH TYR A 7 7.260 -10.517 6.657 1.00 13.32 O ATOM 0 H TYR A 7 -0.080 -13.960 5.163 1.00 50.00 H new ATOM 0 HA TYR A 7 1.607 -11.657 4.344 1.00 60.14 H new ATOM 0 HB2 TYR A 7 1.310 -11.888 6.810 1.00 33.22 H new ATOM 0 HB3 TYR A 7 1.932 -13.523 6.716 1.00 33.22 H new ATOM 0 HD1 TYR A 7 4.357 -13.891 6.026 1.00 11.34 H new ATOM 0 HD2 TYR A 7 2.792 -9.999 6.770 1.00 43.33 H new ATOM 0 HE1 TYR A 7 6.637 -13.014 6.211 1.00 1.20 H new ATOM 0 HE2 TYR A 7 5.075 -9.124 6.935 1.00 13.23 H new ATOM 0 HH TYR A 7 7.404 -10.125 7.544 1.00 13.32 H new ATOM 110 N LYS A 8 3.007 -13.283 3.020 1.00 14.40 N ATOM 111 CA LYS A 8 3.782 -14.241 2.276 1.00 74.32 C ATOM 112 C LYS A 8 5.010 -13.627 1.613 1.00 42.12 C ATOM 113 O LYS A 8 4.896 -12.672 0.884 1.00 2.41 O ATOM 114 CB LYS A 8 2.922 -14.992 1.227 1.00 64.04 C ATOM 115 CG LYS A 8 3.778 -15.915 0.377 1.00 55.42 C ATOM 116 CD LYS A 8 3.015 -16.822 -0.553 1.00 54.22 C ATOM 117 CE LYS A 8 3.995 -17.510 -1.511 1.00 24.31 C ATOM 118 NZ LYS A 8 5.147 -18.153 -0.799 1.00 54.34 N ATOM 0 H LYS A 8 3.069 -12.320 2.689 1.00 14.40 H new ATOM 0 HA LYS A 8 4.138 -14.963 3.011 1.00 74.32 H new ATOM 0 HB2 LYS A 8 2.149 -15.571 1.733 1.00 64.04 H new ATOM 0 HB3 LYS A 8 2.413 -14.272 0.587 1.00 64.04 H new ATOM 0 HG2 LYS A 8 4.462 -15.307 -0.215 1.00 55.42 H new ATOM 0 HG3 LYS A 8 4.388 -16.530 1.039 1.00 55.42 H new ATOM 0 HD2 LYS A 8 2.465 -17.568 0.020 1.00 54.22 H new ATOM 0 HD3 LYS A 8 2.280 -16.248 -1.117 1.00 54.22 H new ATOM 0 HE2 LYS A 8 3.462 -18.266 -2.088 1.00 24.31 H new ATOM 0 HE3 LYS A 8 4.376 -16.777 -2.222 1.00 24.31 H new ATOM 0 HZ1 LYS A 8 5.965 -18.207 -1.439 1.00 54.34 H new ATOM 0 HZ2 LYS A 8 5.398 -17.587 0.036 1.00 54.34 H new ATOM 0 HZ3 LYS A 8 4.878 -19.112 -0.499 1.00 54.34 H new ATOM 132 N ASP A 9 6.170 -14.200 1.919 1.00 1.52 N ATOM 133 CA ASP A 9 7.483 -13.920 1.255 1.00 61.44 C ATOM 134 C ASP A 9 7.836 -12.425 1.211 1.00 4.11 C ATOM 135 O ASP A 9 8.439 -11.949 0.264 1.00 62.00 O ATOM 136 CB ASP A 9 7.479 -14.491 -0.199 1.00 55.30 C ATOM 137 CG ASP A 9 7.188 -15.995 -0.309 1.00 41.31 C ATOM 138 OD1 ASP A 9 6.783 -16.639 0.697 1.00 31.32 O ATOM 139 OD2 ASP A 9 7.244 -16.552 -1.422 1.00 74.03 O ATOM 0 H ASP A 9 6.247 -14.899 2.658 1.00 1.52 H new ATOM 0 HA ASP A 9 8.244 -14.413 1.860 1.00 61.44 H new ATOM 0 HB2 ASP A 9 6.735 -13.949 -0.783 1.00 55.30 H new ATOM 0 HB3 ASP A 9 8.449 -14.290 -0.654 1.00 55.30 H new ATOM 144 N GLY A 10 7.511 -11.698 2.267 1.00 3.33 N ATOM 145 CA GLY A 10 7.839 -10.275 2.310 1.00 42.20 C ATOM 146 C GLY A 10 6.696 -9.405 1.811 1.00 24.14 C ATOM 147 O GLY A 10 6.678 -8.196 2.031 1.00 14.53 O ATOM 0 H GLY A 10 7.030 -12.056 3.092 1.00 3.33 H new ATOM 0 HA2 GLY A 10 8.088 -9.992 3.333 1.00 42.20 H new ATOM 0 HA3 GLY A 10 8.725 -10.090 1.703 1.00 42.20 H new ATOM 151 N TYR A 11 5.747 -10.033 1.193 1.00 11.13 N ATOM 152 CA TYR A 11 4.551 -9.411 0.647 1.00 3.25 C ATOM 153 C TYR A 11 3.422 -9.460 1.673 1.00 41.01 C ATOM 154 O TYR A 11 3.312 -10.423 2.459 1.00 12.32 O ATOM 155 CB TYR A 11 4.061 -10.141 -0.625 1.00 61.01 C ATOM 156 CG TYR A 11 4.997 -10.139 -1.817 1.00 44.13 C ATOM 157 CD1 TYR A 11 6.145 -10.922 -1.837 1.00 43.44 C ATOM 158 CD2 TYR A 11 4.705 -9.381 -2.941 1.00 70.22 C ATOM 159 CE1 TYR A 11 6.979 -10.941 -2.935 1.00 51.31 C ATOM 160 CE2 TYR A 11 5.534 -9.393 -4.043 1.00 73.42 C ATOM 161 CZ TYR A 11 6.670 -10.174 -4.035 1.00 15.43 C ATOM 162 OH TYR A 11 7.499 -10.186 -5.133 1.00 1.33 O ATOM 0 H TYR A 11 5.772 -11.041 1.041 1.00 11.13 H new ATOM 0 HA TYR A 11 4.810 -8.382 0.399 1.00 3.25 H new ATOM 0 HB2 TYR A 11 3.849 -11.177 -0.362 1.00 61.01 H new ATOM 0 HB3 TYR A 11 3.117 -9.691 -0.933 1.00 61.01 H new ATOM 0 HD1 TYR A 11 6.389 -11.527 -0.976 1.00 43.44 H new ATOM 0 HD2 TYR A 11 3.814 -8.771 -2.954 1.00 70.22 H new ATOM 0 HE1 TYR A 11 7.868 -11.554 -2.932 1.00 51.31 H new ATOM 0 HE2 TYR A 11 5.294 -8.793 -4.909 1.00 73.42 H new ATOM 0 HH TYR A 11 7.137 -9.591 -5.823 1.00 1.33 H new ATOM 172 N TYR A 12 2.627 -8.430 1.685 1.00 64.44 N ATOM 173 CA TYR A 12 1.471 -8.337 2.545 1.00 52.13 C ATOM 174 C TYR A 12 0.269 -8.182 1.658 1.00 63.14 C ATOM 175 O TYR A 12 0.205 -7.241 0.867 1.00 54.11 O ATOM 176 CB TYR A 12 1.585 -7.121 3.459 1.00 34.11 C ATOM 177 CG TYR A 12 0.532 -7.033 4.552 1.00 22.44 C ATOM 178 CD1 TYR A 12 0.718 -7.676 5.769 1.00 22.45 C ATOM 179 CD2 TYR A 12 -0.628 -6.298 4.376 1.00 53.35 C ATOM 180 CE1 TYR A 12 -0.222 -7.587 6.775 1.00 62.30 C ATOM 181 CE2 TYR A 12 -1.571 -6.210 5.376 1.00 51.30 C ATOM 182 CZ TYR A 12 -1.367 -6.852 6.572 1.00 72.13 C ATOM 183 OH TYR A 12 -2.320 -6.762 7.576 1.00 71.03 O ATOM 0 H TYR A 12 2.762 -7.614 1.089 1.00 64.44 H new ATOM 0 HA TYR A 12 1.391 -9.227 3.170 1.00 52.13 H new ATOM 0 HB2 TYR A 12 2.570 -7.128 3.925 1.00 34.11 H new ATOM 0 HB3 TYR A 12 1.528 -6.220 2.848 1.00 34.11 H new ATOM 0 HD1 TYR A 12 1.615 -8.256 5.931 1.00 22.45 H new ATOM 0 HD2 TYR A 12 -0.796 -5.786 3.440 1.00 53.35 H new ATOM 0 HE1 TYR A 12 -0.060 -8.091 7.716 1.00 62.30 H new ATOM 0 HE2 TYR A 12 -2.472 -5.635 5.219 1.00 51.30 H new ATOM 0 HH TYR A 12 -3.066 -6.205 7.270 1.00 71.03 H new ATOM 193 N ILE A 13 -0.652 -9.079 1.749 1.00 21.22 N ATOM 194 CA ILE A 13 -1.818 -9.011 0.917 1.00 42.41 C ATOM 195 C ILE A 13 -3.031 -9.016 1.812 1.00 20.53 C ATOM 196 O ILE A 13 -3.228 -9.952 2.545 1.00 53.22 O ATOM 197 CB ILE A 13 -1.929 -10.218 -0.094 1.00 1.13 C ATOM 198 CG1 ILE A 13 -0.645 -10.429 -0.936 1.00 71.50 C ATOM 199 CG2 ILE A 13 -3.121 -10.037 -1.019 1.00 1.32 C ATOM 200 CD1 ILE A 13 0.461 -11.207 -0.237 1.00 62.01 C ATOM 0 H ILE A 13 -0.626 -9.872 2.390 1.00 21.22 H new ATOM 0 HA ILE A 13 -1.749 -8.101 0.322 1.00 42.41 H new ATOM 0 HB ILE A 13 -2.066 -11.111 0.517 1.00 1.13 H new ATOM 0 HG12 ILE A 13 -0.912 -10.952 -1.854 1.00 71.50 H new ATOM 0 HG13 ILE A 13 -0.255 -9.454 -1.227 1.00 71.50 H new ATOM 0 HG21 ILE A 13 -3.179 -10.880 -1.707 1.00 1.32 H new ATOM 0 HG22 ILE A 13 -4.036 -9.988 -0.428 1.00 1.32 H new ATOM 0 HG23 ILE A 13 -3.005 -9.113 -1.586 1.00 1.32 H new ATOM 0 HD11 ILE A 13 1.317 -11.303 -0.905 1.00 62.01 H new ATOM 0 HD12 ILE A 13 0.764 -10.677 0.666 1.00 62.01 H new ATOM 0 HD13 ILE A 13 0.096 -12.199 0.029 1.00 62.01 H new ATOM 212 N THR A 14 -3.817 -7.989 1.779 1.00 0.44 N ATOM 213 CA THR A 14 -4.998 -7.959 2.595 1.00 10.24 C ATOM 214 C THR A 14 -6.153 -7.353 1.814 1.00 24.43 C ATOM 215 O THR A 14 -5.968 -6.865 0.690 1.00 73.12 O ATOM 216 CB THR A 14 -4.794 -7.260 3.987 1.00 64.03 C ATOM 217 OG1 THR A 14 -5.925 -7.509 4.832 1.00 54.11 O ATOM 218 CG2 THR A 14 -4.621 -5.762 3.851 1.00 21.41 C ATOM 0 H THR A 14 -3.669 -7.162 1.201 1.00 0.44 H new ATOM 0 HA THR A 14 -5.240 -8.993 2.841 1.00 10.24 H new ATOM 0 HB THR A 14 -3.887 -7.678 4.423 1.00 64.03 H new ATOM 0 HG1 THR A 14 -5.789 -7.071 5.698 1.00 54.11 H new ATOM 0 HG21 THR A 14 -4.483 -5.321 4.838 1.00 21.41 H new ATOM 0 HG22 THR A 14 -3.748 -5.551 3.234 1.00 21.41 H new ATOM 0 HG23 THR A 14 -5.508 -5.334 3.383 1.00 21.41 H new ATOM 226 N THR A 15 -7.326 -7.436 2.361 1.00 4.31 N ATOM 227 CA THR A 15 -8.498 -6.953 1.708 1.00 34.33 C ATOM 228 C THR A 15 -9.168 -5.906 2.588 1.00 12.22 C ATOM 229 O THR A 15 -9.492 -6.173 3.749 1.00 65.20 O ATOM 230 CB THR A 15 -9.444 -8.127 1.445 1.00 44.21 C ATOM 231 OG1 THR A 15 -8.642 -9.205 0.927 1.00 64.22 O ATOM 232 CG2 THR A 15 -10.506 -7.749 0.418 1.00 52.54 C ATOM 0 H THR A 15 -7.496 -7.844 3.280 1.00 4.31 H new ATOM 0 HA THR A 15 -8.238 -6.492 0.755 1.00 34.33 H new ATOM 0 HB THR A 15 -9.955 -8.411 2.365 1.00 44.21 H new ATOM 0 HG1 THR A 15 -8.583 -9.919 1.596 1.00 64.22 H new ATOM 0 HG21 THR A 15 -11.166 -8.599 0.248 1.00 52.54 H new ATOM 0 HG22 THR A 15 -11.088 -6.906 0.790 1.00 52.54 H new ATOM 0 HG23 THR A 15 -10.023 -7.471 -0.519 1.00 52.54 H new ATOM 240 N LEU A 16 -9.338 -4.733 2.044 1.00 1.42 N ATOM 241 CA LEU A 16 -9.944 -3.638 2.743 1.00 64.02 C ATOM 242 C LEU A 16 -11.309 -3.397 2.181 1.00 4.34 C ATOM 243 O LEU A 16 -11.459 -3.181 0.974 1.00 0.33 O ATOM 244 CB LEU A 16 -9.116 -2.332 2.622 1.00 35.02 C ATOM 245 CG LEU A 16 -7.746 -2.263 3.325 1.00 32.22 C ATOM 246 CD1 LEU A 16 -7.844 -2.675 4.788 1.00 12.50 C ATOM 247 CD2 LEU A 16 -6.688 -3.061 2.581 1.00 3.43 C ATOM 0 H LEU A 16 -9.055 -4.509 1.090 1.00 1.42 H new ATOM 0 HA LEU A 16 -9.993 -3.906 3.798 1.00 64.02 H new ATOM 0 HB2 LEU A 16 -8.955 -2.139 1.561 1.00 35.02 H new ATOM 0 HB3 LEU A 16 -9.727 -1.515 3.006 1.00 35.02 H new ATOM 0 HG LEU A 16 -7.427 -1.221 3.306 1.00 32.22 H new ATOM 0 HD11 LEU A 16 -6.859 -2.614 5.250 1.00 12.50 H new ATOM 0 HD12 LEU A 16 -8.531 -2.008 5.309 1.00 12.50 H new ATOM 0 HD13 LEU A 16 -8.212 -3.699 4.854 1.00 12.50 H new ATOM 0 HD21 LEU A 16 -5.738 -2.986 3.109 1.00 3.43 H new ATOM 0 HD22 LEU A 16 -6.992 -4.106 2.527 1.00 3.43 H new ATOM 0 HD23 LEU A 16 -6.575 -2.663 1.572 1.00 3.43 H new ATOM 259 N ASN A 17 -12.299 -3.428 3.025 1.00 63.03 N ATOM 260 CA ASN A 17 -13.657 -3.171 2.590 1.00 15.24 C ATOM 261 C ASN A 17 -13.920 -1.683 2.567 1.00 34.24 C ATOM 262 O ASN A 17 -14.623 -1.138 3.416 1.00 72.22 O ATOM 263 CB ASN A 17 -14.701 -3.915 3.443 1.00 45.14 C ATOM 264 CG ASN A 17 -14.624 -5.427 3.298 1.00 73.53 C ATOM 265 OD1 ASN A 17 -14.237 -5.950 2.261 1.00 45.53 O ATOM 266 ND2 ASN A 17 -15.000 -6.142 4.334 1.00 1.42 N ATOM 0 H ASN A 17 -12.200 -3.628 4.020 1.00 63.03 H new ATOM 0 HA ASN A 17 -13.760 -3.562 1.578 1.00 15.24 H new ATOM 0 HB2 ASN A 17 -14.561 -3.649 4.491 1.00 45.14 H new ATOM 0 HB3 ASN A 17 -15.699 -3.579 3.159 1.00 45.14 H new ATOM 0 HD21 ASN A 17 -14.974 -7.161 4.287 1.00 1.42 H new ATOM 0 HD22 ASN A 17 -15.318 -5.679 5.185 1.00 1.42 H new ATOM 273 N TYR A 18 -13.248 -1.033 1.648 1.00 33.13 N ATOM 274 CA TYR A 18 -13.336 0.379 1.403 1.00 62.40 C ATOM 275 C TYR A 18 -13.104 0.552 -0.077 1.00 45.31 C ATOM 276 O TYR A 18 -12.446 -0.305 -0.693 1.00 74.12 O ATOM 277 CB TYR A 18 -12.267 1.180 2.197 1.00 24.22 C ATOM 278 CG TYR A 18 -12.379 1.103 3.718 1.00 11.44 C ATOM 279 CD1 TYR A 18 -13.348 1.827 4.406 1.00 65.32 C ATOM 280 CD2 TYR A 18 -11.511 0.311 4.462 1.00 2.25 C ATOM 281 CE1 TYR A 18 -13.448 1.759 5.785 1.00 4.12 C ATOM 282 CE2 TYR A 18 -11.604 0.238 5.838 1.00 23.52 C ATOM 283 CZ TYR A 18 -12.572 0.960 6.496 1.00 40.44 C ATOM 284 OH TYR A 18 -12.671 0.884 7.878 1.00 32.12 O ATOM 0 H TYR A 18 -12.593 -1.502 1.022 1.00 33.13 H new ATOM 0 HA TYR A 18 -14.306 0.758 1.725 1.00 62.40 H new ATOM 0 HB2 TYR A 18 -11.280 0.822 1.905 1.00 24.22 H new ATOM 0 HB3 TYR A 18 -12.328 2.227 1.899 1.00 24.22 H new ATOM 0 HD1 TYR A 18 -14.034 2.453 3.854 1.00 65.32 H new ATOM 0 HD2 TYR A 18 -10.748 -0.259 3.953 1.00 2.25 H new ATOM 0 HE1 TYR A 18 -14.207 2.327 6.303 1.00 4.12 H new ATOM 0 HE2 TYR A 18 -10.919 -0.384 6.395 1.00 23.52 H new ATOM 0 HH TYR A 18 -12.684 -0.056 8.154 1.00 32.12 H new ATOM 294 N ASN A 19 -13.599 1.628 -0.635 1.00 51.31 N ATOM 295 CA ASN A 19 -13.532 1.843 -2.077 1.00 54.10 C ATOM 296 C ASN A 19 -12.121 2.162 -2.550 1.00 75.14 C ATOM 297 O ASN A 19 -11.421 2.980 -1.960 1.00 2.03 O ATOM 298 CB ASN A 19 -14.538 2.906 -2.537 1.00 71.03 C ATOM 299 CG ASN A 19 -14.594 3.077 -4.056 1.00 64.13 C ATOM 300 OD1 ASN A 19 -14.331 2.152 -4.822 1.00 11.43 O ATOM 301 ND2 ASN A 19 -14.948 4.249 -4.499 1.00 52.33 N ATOM 0 H ASN A 19 -14.057 2.378 -0.118 1.00 51.31 H new ATOM 0 HA ASN A 19 -13.813 0.901 -2.548 1.00 54.10 H new ATOM 0 HB2 ASN A 19 -15.530 2.638 -2.173 1.00 71.03 H new ATOM 0 HB3 ASN A 19 -14.279 3.862 -2.081 1.00 71.03 H new ATOM 0 HD21 ASN A 19 -15.012 4.417 -5.503 1.00 52.33 H new ATOM 0 HD22 ASN A 19 -15.161 5.000 -3.842 1.00 52.33 H new ATOM 308 N PHE A 20 -11.754 1.529 -3.633 1.00 51.25 N ATOM 309 CA PHE A 20 -10.433 1.596 -4.252 1.00 34.05 C ATOM 310 C PHE A 20 -9.895 3.026 -4.438 1.00 64.21 C ATOM 311 O PHE A 20 -8.721 3.280 -4.172 1.00 34.51 O ATOM 312 CB PHE A 20 -10.490 0.812 -5.576 1.00 34.22 C ATOM 313 CG PHE A 20 -9.348 1.000 -6.540 1.00 33.22 C ATOM 314 CD1 PHE A 20 -8.225 0.205 -6.470 1.00 61.45 C ATOM 315 CD2 PHE A 20 -9.423 1.962 -7.539 1.00 61.23 C ATOM 316 CE1 PHE A 20 -7.196 0.366 -7.371 1.00 72.14 C ATOM 317 CE2 PHE A 20 -8.399 2.125 -8.440 1.00 52.24 C ATOM 318 CZ PHE A 20 -7.284 1.325 -8.357 1.00 54.24 C ATOM 0 H PHE A 20 -12.393 0.918 -4.142 1.00 51.25 H new ATOM 0 HA PHE A 20 -9.712 1.140 -3.574 1.00 34.05 H new ATOM 0 HB2 PHE A 20 -10.558 -0.249 -5.337 1.00 34.22 H new ATOM 0 HB3 PHE A 20 -11.413 1.083 -6.089 1.00 34.22 H new ATOM 0 HD1 PHE A 20 -8.151 -0.551 -5.702 1.00 61.45 H new ATOM 0 HD2 PHE A 20 -10.298 2.591 -7.608 1.00 61.23 H new ATOM 0 HE1 PHE A 20 -6.319 -0.260 -7.305 1.00 72.14 H new ATOM 0 HE2 PHE A 20 -8.470 2.879 -9.210 1.00 52.24 H new ATOM 0 HZ PHE A 20 -6.477 1.448 -9.064 1.00 54.24 H new ATOM 328 N ASN A 21 -10.744 3.963 -4.844 1.00 44.13 N ATOM 329 CA ASN A 21 -10.257 5.325 -5.086 1.00 1.21 C ATOM 330 C ASN A 21 -9.800 6.037 -3.807 1.00 61.53 C ATOM 331 O ASN A 21 -8.773 6.723 -3.812 1.00 35.44 O ATOM 332 CB ASN A 21 -11.213 6.208 -5.941 1.00 21.12 C ATOM 333 CG ASN A 21 -12.622 6.413 -5.383 1.00 42.44 C ATOM 334 OD1 ASN A 21 -12.863 6.368 -4.185 1.00 0.51 O ATOM 335 ND2 ASN A 21 -13.564 6.661 -6.267 1.00 71.40 N ATOM 0 H ASN A 21 -11.740 3.819 -5.009 1.00 44.13 H new ATOM 0 HA ASN A 21 -9.369 5.184 -5.702 1.00 1.21 H new ATOM 0 HB2 ASN A 21 -10.751 7.186 -6.072 1.00 21.12 H new ATOM 0 HB3 ASN A 21 -11.298 5.761 -6.931 1.00 21.12 H new ATOM 0 HD21 ASN A 21 -14.523 6.822 -5.959 1.00 71.40 H new ATOM 0 HD22 ASN A 21 -13.335 6.693 -7.261 1.00 71.40 H new ATOM 342 N THR A 22 -10.533 5.876 -2.724 1.00 13.10 N ATOM 343 CA THR A 22 -10.131 6.472 -1.475 1.00 5.23 C ATOM 344 C THR A 22 -8.888 5.753 -0.916 1.00 4.14 C ATOM 345 O THR A 22 -7.974 6.401 -0.388 1.00 63.31 O ATOM 346 CB THR A 22 -11.302 6.609 -0.428 1.00 32.43 C ATOM 347 OG1 THR A 22 -10.850 7.252 0.766 1.00 71.43 O ATOM 348 CG2 THR A 22 -11.924 5.274 -0.070 1.00 34.44 C ATOM 0 H THR A 22 -11.401 5.342 -2.687 1.00 13.10 H new ATOM 0 HA THR A 22 -9.851 7.505 -1.683 1.00 5.23 H new ATOM 0 HB THR A 22 -12.067 7.220 -0.908 1.00 32.43 H new ATOM 0 HG1 THR A 22 -11.620 7.471 1.331 1.00 71.43 H new ATOM 0 HG21 THR A 22 -12.724 5.428 0.654 1.00 34.44 H new ATOM 0 HG22 THR A 22 -12.332 4.810 -0.968 1.00 34.44 H new ATOM 0 HG23 THR A 22 -11.164 4.623 0.362 1.00 34.44 H new ATOM 356 N VAL A 23 -8.831 4.423 -1.101 1.00 75.01 N ATOM 357 CA VAL A 23 -7.678 3.628 -0.671 1.00 41.23 C ATOM 358 C VAL A 23 -6.419 4.088 -1.407 1.00 2.41 C ATOM 359 O VAL A 23 -5.353 4.249 -0.789 1.00 73.11 O ATOM 360 CB VAL A 23 -7.898 2.100 -0.898 1.00 42.24 C ATOM 361 CG1 VAL A 23 -6.672 1.296 -0.467 1.00 12.22 C ATOM 362 CG2 VAL A 23 -9.119 1.615 -0.139 1.00 42.20 C ATOM 0 H VAL A 23 -9.571 3.880 -1.545 1.00 75.01 H new ATOM 0 HA VAL A 23 -7.556 3.786 0.401 1.00 41.23 H new ATOM 0 HB VAL A 23 -8.057 1.946 -1.965 1.00 42.24 H new ATOM 0 HG11 VAL A 23 -6.855 0.235 -0.637 1.00 12.22 H new ATOM 0 HG12 VAL A 23 -5.806 1.613 -1.049 1.00 12.22 H new ATOM 0 HG13 VAL A 23 -6.479 1.466 0.592 1.00 12.22 H new ATOM 0 HG21 VAL A 23 -9.254 0.547 -0.311 1.00 42.20 H new ATOM 0 HG22 VAL A 23 -8.980 1.796 0.927 1.00 42.20 H new ATOM 0 HG23 VAL A 23 -10.001 2.153 -0.487 1.00 42.20 H new ATOM 372 N TYR A 24 -6.555 4.330 -2.715 1.00 32.21 N ATOM 373 CA TYR A 24 -5.449 4.810 -3.544 1.00 4.13 C ATOM 374 C TYR A 24 -4.876 6.099 -2.987 1.00 44.12 C ATOM 375 O TYR A 24 -3.658 6.226 -2.813 1.00 51.34 O ATOM 376 CB TYR A 24 -5.911 5.021 -5.005 1.00 15.01 C ATOM 377 CG TYR A 24 -4.860 5.647 -5.923 1.00 51.11 C ATOM 378 CD1 TYR A 24 -3.793 4.903 -6.409 1.00 74.52 C ATOM 379 CD2 TYR A 24 -4.938 6.989 -6.291 1.00 71.21 C ATOM 380 CE1 TYR A 24 -2.838 5.468 -7.235 1.00 42.31 C ATOM 381 CE2 TYR A 24 -3.987 7.562 -7.117 1.00 75.42 C ATOM 382 CZ TYR A 24 -2.940 6.797 -7.585 1.00 5.43 C ATOM 383 OH TYR A 24 -1.988 7.366 -8.412 1.00 1.12 O ATOM 0 H TYR A 24 -7.429 4.199 -3.224 1.00 32.21 H new ATOM 0 HA TYR A 24 -4.668 4.050 -3.532 1.00 4.13 H new ATOM 0 HB2 TYR A 24 -6.209 4.058 -5.420 1.00 15.01 H new ATOM 0 HB3 TYR A 24 -6.797 5.656 -5.004 1.00 15.01 H new ATOM 0 HD1 TYR A 24 -3.707 3.862 -6.136 1.00 74.52 H new ATOM 0 HD2 TYR A 24 -5.755 7.593 -5.925 1.00 71.21 H new ATOM 0 HE1 TYR A 24 -2.017 4.871 -7.604 1.00 42.31 H new ATOM 0 HE2 TYR A 24 -4.065 8.603 -7.394 1.00 75.42 H new ATOM 0 HH TYR A 24 -2.207 8.309 -8.562 1.00 1.12 H new ATOM 393 N ASN A 25 -5.758 7.019 -2.653 1.00 20.22 N ATOM 394 CA ASN A 25 -5.361 8.301 -2.119 1.00 12.11 C ATOM 395 C ASN A 25 -4.712 8.157 -0.765 1.00 20.13 C ATOM 396 O ASN A 25 -3.617 8.651 -0.555 1.00 51.12 O ATOM 397 CB ASN A 25 -6.539 9.280 -2.067 1.00 41.30 C ATOM 398 CG ASN A 25 -6.877 9.890 -3.423 1.00 62.45 C ATOM 399 OD1 ASN A 25 -6.349 10.924 -3.793 1.00 20.45 O ATOM 400 ND2 ASN A 25 -7.750 9.263 -4.173 1.00 32.51 N ATOM 0 H ASN A 25 -6.767 6.897 -2.745 1.00 20.22 H new ATOM 0 HA ASN A 25 -4.618 8.718 -2.799 1.00 12.11 H new ATOM 0 HB2 ASN A 25 -7.417 8.761 -1.681 1.00 41.30 H new ATOM 0 HB3 ASN A 25 -6.307 10.080 -1.364 1.00 41.30 H new ATOM 0 HD21 ASN A 25 -8.000 9.639 -5.087 1.00 32.51 H new ATOM 0 HD22 ASN A 25 -8.179 8.399 -3.842 1.00 32.51 H new ATOM 407 N ALA A 26 -5.357 7.409 0.121 1.00 50.21 N ATOM 408 CA ALA A 26 -4.881 7.221 1.489 1.00 25.22 C ATOM 409 C ALA A 26 -3.493 6.578 1.525 1.00 13.32 C ATOM 410 O ALA A 26 -2.611 7.032 2.257 1.00 44.14 O ATOM 411 CB ALA A 26 -5.873 6.382 2.274 1.00 52.52 C ATOM 0 H ALA A 26 -6.225 6.915 -0.087 1.00 50.21 H new ATOM 0 HA ALA A 26 -4.797 8.205 1.950 1.00 25.22 H new ATOM 0 HB1 ALA A 26 -5.510 6.247 3.293 1.00 52.52 H new ATOM 0 HB2 ALA A 26 -6.839 6.887 2.297 1.00 52.52 H new ATOM 0 HB3 ALA A 26 -5.984 5.408 1.797 1.00 52.52 H new ATOM 417 N THR A 27 -3.309 5.544 0.719 1.00 4.35 N ATOM 418 CA THR A 27 -2.031 4.857 0.619 1.00 54.11 C ATOM 419 C THR A 27 -0.962 5.819 0.114 1.00 51.55 C ATOM 420 O THR A 27 0.132 5.905 0.681 1.00 42.04 O ATOM 421 CB THR A 27 -2.125 3.666 -0.355 1.00 42.32 C ATOM 422 OG1 THR A 27 -3.220 2.815 0.015 1.00 23.03 O ATOM 423 CG2 THR A 27 -0.833 2.856 -0.354 1.00 63.43 C ATOM 0 H THR A 27 -4.038 5.159 0.118 1.00 4.35 H new ATOM 0 HA THR A 27 -1.767 4.490 1.611 1.00 54.11 H new ATOM 0 HB THR A 27 -2.289 4.062 -1.357 1.00 42.32 H new ATOM 0 HG1 THR A 27 -4.055 3.181 -0.345 1.00 23.03 H new ATOM 0 HG21 THR A 27 -0.926 2.022 -1.049 1.00 63.43 H new ATOM 0 HG22 THR A 27 -0.004 3.493 -0.661 1.00 63.43 H new ATOM 0 HG23 THR A 27 -0.644 2.473 0.649 1.00 63.43 H new ATOM 431 N LEU A 28 -1.311 6.568 -0.928 1.00 62.42 N ATOM 432 CA LEU A 28 -0.413 7.517 -1.533 1.00 62.10 C ATOM 433 C LEU A 28 -0.010 8.591 -0.519 1.00 41.43 C ATOM 434 O LEU A 28 1.150 8.836 -0.338 1.00 35.15 O ATOM 435 CB LEU A 28 -1.051 8.121 -2.793 1.00 23.52 C ATOM 436 CG LEU A 28 -0.252 9.194 -3.531 1.00 54.14 C ATOM 437 CD1 LEU A 28 1.035 8.617 -4.101 1.00 21.43 C ATOM 438 CD2 LEU A 28 -1.095 9.821 -4.630 1.00 65.32 C ATOM 0 H LEU A 28 -2.229 6.526 -1.370 1.00 62.42 H new ATOM 0 HA LEU A 28 0.499 7.005 -1.841 1.00 62.10 H new ATOM 0 HB2 LEU A 28 -1.254 7.309 -3.492 1.00 23.52 H new ATOM 0 HB3 LEU A 28 -2.014 8.549 -2.513 1.00 23.52 H new ATOM 0 HG LEU A 28 0.017 9.972 -2.817 1.00 54.14 H new ATOM 0 HD11 LEU A 28 1.586 9.400 -4.622 1.00 21.43 H new ATOM 0 HD12 LEU A 28 1.647 8.221 -3.290 1.00 21.43 H new ATOM 0 HD13 LEU A 28 0.796 7.816 -4.800 1.00 21.43 H new ATOM 0 HD21 LEU A 28 -0.511 10.583 -5.146 1.00 65.32 H new ATOM 0 HD22 LEU A 28 -1.397 9.052 -5.341 1.00 65.32 H new ATOM 0 HD23 LEU A 28 -1.982 10.278 -4.192 1.00 65.32 H new ATOM 450 N GLN A 29 -0.983 9.157 0.173 1.00 21.24 N ATOM 451 CA GLN A 29 -0.744 10.170 1.224 1.00 43.42 C ATOM 452 C GLN A 29 0.234 9.646 2.270 1.00 32.52 C ATOM 453 O GLN A 29 1.177 10.331 2.645 1.00 33.30 O ATOM 454 CB GLN A 29 -2.038 10.512 1.969 1.00 54.54 C ATOM 455 CG GLN A 29 -3.156 11.132 1.148 1.00 54.14 C ATOM 456 CD GLN A 29 -4.431 11.309 1.975 1.00 44.42 C ATOM 457 OE1 GLN A 29 -4.275 11.528 3.263 1.00 63.32 O flip ATOM 458 NE2 GLN A 29 -5.543 11.248 1.458 1.00 73.35 N flip ATOM 0 H GLN A 29 -1.969 8.937 0.033 1.00 21.24 H new ATOM 0 HA GLN A 29 -0.345 11.050 0.719 1.00 43.42 H new ATOM 0 HB2 GLN A 29 -2.418 9.599 2.427 1.00 54.54 H new ATOM 0 HB3 GLN A 29 -1.792 11.197 2.781 1.00 54.54 H new ATOM 0 HG2 GLN A 29 -2.833 12.100 0.765 1.00 54.14 H new ATOM 0 HG3 GLN A 29 -3.367 10.501 0.284 1.00 54.14 H new ATOM 0 HE21 GLN A 29 -5.631 11.077 0.456 1.00 73.35 H new ATOM 0 HE22 GLN A 29 -6.379 11.369 2.030 1.00 73.35 H new ATOM 467 N ALA A 30 0.012 8.418 2.706 1.00 62.30 N ATOM 468 CA ALA A 30 0.822 7.796 3.742 1.00 13.24 C ATOM 469 C ALA A 30 2.298 7.739 3.360 1.00 3.15 C ATOM 470 O ALA A 30 3.180 8.083 4.164 1.00 71.04 O ATOM 471 CB ALA A 30 0.306 6.401 4.041 1.00 13.04 C ATOM 0 H ALA A 30 -0.736 7.822 2.352 1.00 62.30 H new ATOM 0 HA ALA A 30 0.740 8.414 4.636 1.00 13.24 H new ATOM 0 HB1 ALA A 30 0.920 5.945 4.818 1.00 13.04 H new ATOM 0 HB2 ALA A 30 -0.727 6.461 4.383 1.00 13.04 H new ATOM 0 HB3 ALA A 30 0.354 5.794 3.137 1.00 13.04 H new ATOM 477 N ILE A 31 2.565 7.330 2.146 1.00 61.31 N ATOM 478 CA ILE A 31 3.928 7.193 1.695 1.00 60.02 C ATOM 479 C ILE A 31 4.505 8.530 1.145 1.00 55.12 C ATOM 480 O ILE A 31 5.580 8.956 1.545 1.00 50.23 O ATOM 481 CB ILE A 31 4.058 6.035 0.644 1.00 52.43 C ATOM 482 CG1 ILE A 31 5.485 5.917 0.138 1.00 70.43 C ATOM 483 CG2 ILE A 31 3.072 6.191 -0.516 1.00 51.44 C ATOM 484 CD1 ILE A 31 5.693 4.832 -0.887 1.00 11.25 C ATOM 0 H ILE A 31 1.858 7.086 1.452 1.00 61.31 H new ATOM 0 HA ILE A 31 4.530 6.929 2.565 1.00 60.02 H new ATOM 0 HB ILE A 31 3.800 5.108 1.156 1.00 52.43 H new ATOM 0 HG12 ILE A 31 5.784 6.871 -0.295 1.00 70.43 H new ATOM 0 HG13 ILE A 31 6.144 5.731 0.986 1.00 70.43 H new ATOM 0 HG21 ILE A 31 3.201 5.366 -1.216 1.00 51.44 H new ATOM 0 HG22 ILE A 31 2.053 6.184 -0.130 1.00 51.44 H new ATOM 0 HG23 ILE A 31 3.260 7.135 -1.029 1.00 51.44 H new ATOM 0 HD11 ILE A 31 6.739 4.817 -1.194 1.00 11.25 H new ATOM 0 HD12 ILE A 31 5.428 3.867 -0.454 1.00 11.25 H new ATOM 0 HD13 ILE A 31 5.063 5.026 -1.755 1.00 11.25 H new ATOM 496 N GLN A 32 3.719 9.214 0.337 1.00 44.05 N ATOM 497 CA GLN A 32 4.125 10.434 -0.366 1.00 44.33 C ATOM 498 C GLN A 32 4.283 11.621 0.572 1.00 2.32 C ATOM 499 O GLN A 32 5.166 12.444 0.403 1.00 2.32 O ATOM 500 CB GLN A 32 3.092 10.737 -1.461 1.00 43.54 C ATOM 501 CG GLN A 32 3.218 12.078 -2.133 1.00 21.02 C ATOM 502 CD GLN A 32 2.136 12.300 -3.159 1.00 1.45 C ATOM 503 OE1 GLN A 32 2.292 11.982 -4.325 1.00 1.13 O ATOM 504 NE2 GLN A 32 1.014 12.823 -2.723 1.00 53.32 N ATOM 0 H GLN A 32 2.757 8.938 0.141 1.00 44.05 H new ATOM 0 HA GLN A 32 5.106 10.266 -0.810 1.00 44.33 H new ATOM 0 HB2 GLN A 32 3.163 9.962 -2.224 1.00 43.54 H new ATOM 0 HB3 GLN A 32 2.096 10.664 -1.024 1.00 43.54 H new ATOM 0 HG2 GLN A 32 3.172 12.866 -1.381 1.00 21.02 H new ATOM 0 HG3 GLN A 32 4.194 12.153 -2.613 1.00 21.02 H new ATOM 0 HE21 GLN A 32 0.918 13.078 -1.740 1.00 53.32 H new ATOM 0 HE22 GLN A 32 0.238 12.975 -3.367 1.00 53.32 H new ATOM 513 N ASN A 33 3.441 11.702 1.568 1.00 73.14 N ATOM 514 CA ASN A 33 3.496 12.819 2.494 1.00 13.13 C ATOM 515 C ASN A 33 4.357 12.488 3.689 1.00 31.14 C ATOM 516 O ASN A 33 4.375 13.230 4.668 1.00 20.15 O ATOM 517 CB ASN A 33 2.092 13.250 2.936 1.00 33.13 C ATOM 518 CG ASN A 33 1.279 13.876 1.813 1.00 54.14 C ATOM 519 OD1 ASN A 33 0.589 13.193 1.057 1.00 5.41 O ATOM 520 ND2 ASN A 33 1.338 15.182 1.700 1.00 51.33 N ATOM 0 H ASN A 33 2.711 11.017 1.764 1.00 73.14 H new ATOM 0 HA ASN A 33 3.951 13.659 1.969 1.00 13.13 H new ATOM 0 HB2 ASN A 33 1.557 12.383 3.324 1.00 33.13 H new ATOM 0 HB3 ASN A 33 2.179 13.964 3.755 1.00 33.13 H new ATOM 0 HD21 ASN A 33 0.804 15.656 0.972 1.00 51.33 H new ATOM 0 HD22 ASN A 33 1.918 15.724 2.341 1.00 51.33 H new ATOM 527 N GLY A 34 5.065 11.366 3.591 1.00 54.34 N ATOM 528 CA GLY A 34 5.983 10.932 4.624 1.00 12.43 C ATOM 529 C GLY A 34 5.318 10.766 5.965 1.00 74.24 C ATOM 530 O GLY A 34 5.798 11.266 6.969 1.00 34.11 O ATOM 0 H GLY A 34 5.014 10.736 2.790 1.00 54.34 H new ATOM 0 HA2 GLY A 34 6.434 9.985 4.328 1.00 12.43 H new ATOM 0 HA3 GLY A 34 6.792 11.657 4.712 1.00 12.43 H new ATOM 534 N GLN A 35 4.216 10.049 5.984 1.00 44.15 N ATOM 535 CA GLN A 35 3.464 9.861 7.214 1.00 43.13 C ATOM 536 C GLN A 35 4.044 8.712 8.021 1.00 22.42 C ATOM 537 O GLN A 35 3.677 8.484 9.168 1.00 54.23 O ATOM 538 CB GLN A 35 1.987 9.623 6.905 1.00 55.55 C ATOM 539 CG GLN A 35 1.326 10.766 6.131 1.00 22.30 C ATOM 540 CD GLN A 35 1.307 12.076 6.903 1.00 74.33 C ATOM 541 OE1 GLN A 35 0.372 12.359 7.630 1.00 13.52 O ATOM 542 NE2 GLN A 35 2.326 12.887 6.740 1.00 4.41 N ATOM 0 H GLN A 35 3.818 9.586 5.167 1.00 44.15 H new ATOM 0 HA GLN A 35 3.543 10.768 7.813 1.00 43.13 H new ATOM 0 HB2 GLN A 35 1.890 8.703 6.329 1.00 55.55 H new ATOM 0 HB3 GLN A 35 1.449 9.472 7.841 1.00 55.55 H new ATOM 0 HG2 GLN A 35 1.856 10.913 5.190 1.00 22.30 H new ATOM 0 HG3 GLN A 35 0.303 10.484 5.881 1.00 22.30 H new ATOM 0 HE21 GLN A 35 3.095 12.622 6.124 1.00 4.41 H new ATOM 0 HE22 GLN A 35 2.349 13.782 7.229 1.00 4.41 H new ATOM 551 N THR A 36 4.944 7.976 7.409 1.00 33.45 N ATOM 552 CA THR A 36 5.602 6.905 8.075 1.00 63.23 C ATOM 553 C THR A 36 6.939 6.603 7.374 1.00 44.31 C ATOM 554 O THR A 36 6.996 6.434 6.151 1.00 51.43 O ATOM 555 CB THR A 36 4.677 5.635 8.159 1.00 75.41 C ATOM 556 OG1 THR A 36 5.303 4.590 8.930 1.00 41.53 O ATOM 557 CG2 THR A 36 4.291 5.098 6.772 1.00 2.43 C ATOM 0 H THR A 36 5.231 8.112 6.440 1.00 33.45 H new ATOM 0 HA THR A 36 5.817 7.201 9.102 1.00 63.23 H new ATOM 0 HB THR A 36 3.762 5.952 8.659 1.00 75.41 H new ATOM 0 HG1 THR A 36 4.657 3.871 9.092 1.00 41.53 H new ATOM 0 HG21 THR A 36 3.653 4.222 6.886 1.00 2.43 H new ATOM 0 HG22 THR A 36 3.754 5.869 6.220 1.00 2.43 H new ATOM 0 HG23 THR A 36 5.192 4.822 6.225 1.00 2.43 H new ATOM 565 N PHE A 37 8.000 6.547 8.141 1.00 13.00 N ATOM 566 CA PHE A 37 9.321 6.266 7.606 1.00 15.04 C ATOM 567 C PHE A 37 9.847 4.980 8.184 1.00 51.21 C ATOM 568 O PHE A 37 9.357 4.517 9.221 1.00 12.41 O ATOM 569 CB PHE A 37 10.309 7.410 7.882 1.00 63.41 C ATOM 570 CG PHE A 37 10.029 8.673 7.120 1.00 21.11 C ATOM 571 CD1 PHE A 37 10.476 8.816 5.816 1.00 73.32 C ATOM 572 CD2 PHE A 37 9.336 9.720 7.706 1.00 65.11 C ATOM 573 CE1 PHE A 37 10.233 9.975 5.108 1.00 22.31 C ATOM 574 CE2 PHE A 37 9.091 10.882 7.002 1.00 11.00 C ATOM 575 CZ PHE A 37 9.540 11.011 5.701 1.00 23.21 C ATOM 0 H PHE A 37 7.979 6.693 9.150 1.00 13.00 H new ATOM 0 HA PHE A 37 9.225 6.169 6.525 1.00 15.04 H new ATOM 0 HB2 PHE A 37 10.297 7.634 8.949 1.00 63.41 H new ATOM 0 HB3 PHE A 37 11.316 7.070 7.639 1.00 63.41 H new ATOM 0 HD1 PHE A 37 11.022 8.010 5.348 1.00 73.32 H new ATOM 0 HD2 PHE A 37 8.984 9.626 8.723 1.00 65.11 H new ATOM 0 HE1 PHE A 37 10.584 10.071 4.091 1.00 22.31 H new ATOM 0 HE2 PHE A 37 8.548 11.691 7.468 1.00 11.00 H new ATOM 0 HZ PHE A 37 9.349 11.920 5.150 1.00 23.21 H new ATOM 585 N ASP A 38 10.802 4.387 7.512 1.00 40.20 N ATOM 586 CA ASP A 38 11.406 3.162 7.974 1.00 0.43 C ATOM 587 C ASP A 38 12.713 3.498 8.657 1.00 54.23 C ATOM 588 O ASP A 38 13.124 4.655 8.671 1.00 50.43 O ATOM 589 CB ASP A 38 11.640 2.150 6.829 1.00 52.11 C ATOM 590 CG ASP A 38 12.829 2.465 5.945 1.00 42.22 C ATOM 591 OD1 ASP A 38 12.851 3.524 5.308 1.00 60.52 O ATOM 592 OD2 ASP A 38 13.761 1.647 5.893 1.00 20.30 O ATOM 0 H ASP A 38 11.182 4.738 6.633 1.00 40.20 H new ATOM 0 HA ASP A 38 10.721 2.683 8.674 1.00 0.43 H new ATOM 0 HB2 ASP A 38 11.777 1.158 7.260 1.00 52.11 H new ATOM 0 HB3 ASP A 38 10.744 2.108 6.210 1.00 52.11 H new ATOM 597 N TYR A 39 13.359 2.484 9.185 1.00 54.35 N ATOM 598 CA TYR A 39 14.605 2.594 9.957 1.00 21.42 C ATOM 599 C TYR A 39 15.723 3.368 9.220 1.00 11.34 C ATOM 600 O TYR A 39 16.586 3.949 9.857 1.00 25.40 O ATOM 601 CB TYR A 39 15.109 1.171 10.321 1.00 64.43 C ATOM 602 CG TYR A 39 15.396 0.303 9.102 1.00 63.00 C ATOM 603 CD1 TYR A 39 14.367 -0.336 8.428 1.00 70.51 C ATOM 604 CD2 TYR A 39 16.690 0.161 8.604 1.00 20.33 C ATOM 605 CE1 TYR A 39 14.607 -1.075 7.300 1.00 13.55 C ATOM 606 CE2 TYR A 39 16.939 -0.593 7.476 1.00 33.44 C ATOM 607 CZ TYR A 39 15.890 -1.203 6.827 1.00 24.42 C ATOM 608 OH TYR A 39 16.112 -1.921 5.676 1.00 41.33 O ATOM 0 H TYR A 39 13.032 1.522 9.094 1.00 54.35 H new ATOM 0 HA TYR A 39 14.372 3.168 10.854 1.00 21.42 H new ATOM 0 HB2 TYR A 39 16.016 1.256 10.919 1.00 64.43 H new ATOM 0 HB3 TYR A 39 14.363 0.677 10.943 1.00 64.43 H new ATOM 0 HD1 TYR A 39 13.357 -0.250 8.799 1.00 70.51 H new ATOM 0 HD2 TYR A 39 17.511 0.649 9.109 1.00 20.33 H new ATOM 0 HE1 TYR A 39 13.789 -1.556 6.784 1.00 13.55 H new ATOM 0 HE2 TYR A 39 17.948 -0.704 7.106 1.00 33.44 H new ATOM 0 HH TYR A 39 17.070 -1.920 5.469 1.00 41.33 H new ATOM 618 N LYS A 40 15.710 3.366 7.891 1.00 72.12 N ATOM 619 CA LYS A 40 16.764 4.044 7.150 1.00 25.31 C ATOM 620 C LYS A 40 16.237 5.269 6.405 1.00 24.04 C ATOM 621 O LYS A 40 16.988 5.905 5.669 1.00 74.43 O ATOM 622 CB LYS A 40 17.452 3.062 6.178 1.00 60.23 C ATOM 623 CG LYS A 40 16.518 2.474 5.134 1.00 0.41 C ATOM 624 CD LYS A 40 17.185 1.400 4.298 1.00 21.45 C ATOM 625 CE LYS A 40 16.205 0.761 3.305 1.00 50.01 C ATOM 626 NZ LYS A 40 15.060 0.094 3.973 1.00 41.40 N ATOM 0 H LYS A 40 14.999 2.913 7.317 1.00 72.12 H new ATOM 0 HA LYS A 40 17.501 4.399 7.870 1.00 25.31 H new ATOM 0 HB2 LYS A 40 18.268 3.578 5.672 1.00 60.23 H new ATOM 0 HB3 LYS A 40 17.897 2.249 6.752 1.00 60.23 H new ATOM 0 HG2 LYS A 40 15.643 2.053 5.630 1.00 0.41 H new ATOM 0 HG3 LYS A 40 16.162 3.270 4.480 1.00 0.41 H new ATOM 0 HD2 LYS A 40 18.024 1.832 3.753 1.00 21.45 H new ATOM 0 HD3 LYS A 40 17.593 0.630 4.953 1.00 21.45 H new ATOM 0 HE2 LYS A 40 15.828 1.529 2.629 1.00 50.01 H new ATOM 0 HE3 LYS A 40 16.738 0.032 2.694 1.00 50.01 H new ATOM 0 HZ1 LYS A 40 14.516 -0.447 3.271 1.00 41.40 H new ATOM 0 HZ2 LYS A 40 15.414 -0.551 4.708 1.00 41.40 H new ATOM 0 HZ3 LYS A 40 14.446 0.812 4.409 1.00 41.40 H new ATOM 640 N SER A 41 14.950 5.603 6.630 1.00 14.12 N ATOM 641 CA SER A 41 14.296 6.758 5.994 1.00 41.32 C ATOM 642 C SER A 41 14.463 6.692 4.457 1.00 51.31 C ATOM 643 O SER A 41 14.727 7.707 3.792 1.00 72.52 O ATOM 644 CB SER A 41 14.878 8.072 6.578 1.00 20.24 C ATOM 645 OG SER A 41 14.218 9.218 6.060 1.00 30.10 O ATOM 0 H SER A 41 14.339 5.079 7.256 1.00 14.12 H new ATOM 0 HA SER A 41 13.227 6.735 6.207 1.00 41.32 H new ATOM 0 HB2 SER A 41 14.785 8.059 7.664 1.00 20.24 H new ATOM 0 HB3 SER A 41 15.942 8.131 6.349 1.00 20.24 H new ATOM 0 HG SER A 41 14.198 9.170 5.081 1.00 30.10 H new ATOM 651 N ASN A 42 14.254 5.502 3.911 1.00 50.42 N ATOM 652 CA ASN A 42 14.492 5.234 2.493 1.00 51.02 C ATOM 653 C ASN A 42 13.490 5.990 1.620 1.00 22.41 C ATOM 654 O ASN A 42 12.370 6.232 2.060 1.00 61.51 O ATOM 655 CB ASN A 42 14.436 3.720 2.206 1.00 64.42 C ATOM 656 CG ASN A 42 13.067 3.183 1.797 1.00 12.23 C ATOM 657 OD1 ASN A 42 12.768 3.054 0.613 1.00 73.12 O ATOM 658 ND2 ASN A 42 12.236 2.889 2.744 1.00 63.01 N ATOM 0 H ASN A 42 13.915 4.695 4.434 1.00 50.42 H new ATOM 0 HA ASN A 42 15.492 5.590 2.244 1.00 51.02 H new ATOM 0 HB2 ASN A 42 15.149 3.491 1.414 1.00 64.42 H new ATOM 0 HB3 ASN A 42 14.766 3.186 3.097 1.00 64.42 H new ATOM 0 HD21 ASN A 42 11.305 2.540 2.516 1.00 63.01 H new ATOM 0 HD22 ASN A 42 12.512 3.006 3.719 1.00 63.01 H new ATOM 665 N PRO A 43 13.927 6.437 0.406 1.00 61.21 N ATOM 666 CA PRO A 43 13.075 7.158 -0.556 1.00 31.44 C ATOM 667 C PRO A 43 11.658 6.584 -0.698 1.00 40.41 C ATOM 668 O PRO A 43 11.436 5.493 -1.246 1.00 44.53 O ATOM 669 CB PRO A 43 13.840 7.035 -1.865 1.00 3.44 C ATOM 670 CG PRO A 43 15.268 6.988 -1.454 1.00 35.41 C ATOM 671 CD PRO A 43 15.306 6.301 -0.110 1.00 15.03 C ATOM 0 HA PRO A 43 12.903 8.184 -0.230 1.00 31.44 H new ATOM 0 HB2 PRO A 43 13.553 6.136 -2.410 1.00 3.44 H new ATOM 0 HB3 PRO A 43 13.643 7.882 -2.522 1.00 3.44 H new ATOM 0 HG2 PRO A 43 15.864 6.442 -2.185 1.00 35.41 H new ATOM 0 HG3 PRO A 43 15.686 7.993 -1.388 1.00 35.41 H new ATOM 0 HD2 PRO A 43 15.594 5.254 -0.206 1.00 15.03 H new ATOM 0 HD3 PRO A 43 16.029 6.771 0.557 1.00 15.03 H new ATOM 679 N TYR A 44 10.738 7.325 -0.161 1.00 44.32 N ATOM 680 CA TYR A 44 9.330 7.037 -0.194 1.00 30.33 C ATOM 681 C TYR A 44 8.660 7.779 -1.309 1.00 31.33 C ATOM 682 O TYR A 44 7.452 7.679 -1.530 1.00 22.34 O ATOM 683 CB TYR A 44 8.643 7.213 1.153 1.00 3.34 C ATOM 684 CG TYR A 44 8.858 6.024 2.069 1.00 73.43 C ATOM 685 CD1 TYR A 44 8.453 4.755 1.665 1.00 0.44 C ATOM 686 CD2 TYR A 44 9.459 6.149 3.310 1.00 71.11 C ATOM 687 CE1 TYR A 44 8.633 3.656 2.462 1.00 62.11 C ATOM 688 CE2 TYR A 44 9.643 5.041 4.121 1.00 75.43 C ATOM 689 CZ TYR A 44 9.222 3.797 3.684 1.00 1.03 C ATOM 690 OH TYR A 44 9.391 2.682 4.493 1.00 72.23 O ATOM 0 H TYR A 44 10.955 8.189 0.337 1.00 44.32 H new ATOM 0 HA TYR A 44 9.224 5.973 -0.408 1.00 30.33 H new ATOM 0 HB2 TYR A 44 9.021 8.114 1.636 1.00 3.34 H new ATOM 0 HB3 TYR A 44 7.574 7.360 0.997 1.00 3.34 H new ATOM 0 HD1 TYR A 44 7.985 4.634 0.699 1.00 0.44 H new ATOM 0 HD2 TYR A 44 9.788 7.120 3.649 1.00 71.11 H new ATOM 0 HE1 TYR A 44 8.310 2.682 2.124 1.00 62.11 H new ATOM 0 HE2 TYR A 44 10.112 5.147 5.088 1.00 75.43 H new ATOM 0 HH TYR A 44 10.158 2.161 4.176 1.00 72.23 H new ATOM 700 N ASP A 45 9.452 8.535 -1.993 1.00 3.04 N ATOM 701 CA ASP A 45 9.013 9.331 -3.079 1.00 24.24 C ATOM 702 C ASP A 45 8.853 8.368 -4.226 1.00 21.51 C ATOM 703 O ASP A 45 9.800 7.661 -4.612 1.00 70.11 O ATOM 704 CB ASP A 45 10.120 10.338 -3.450 1.00 53.11 C ATOM 705 CG ASP A 45 10.703 11.075 -2.255 1.00 60.21 C ATOM 706 OD1 ASP A 45 11.479 10.429 -1.477 1.00 3.42 O ATOM 707 OD2 ASP A 45 10.429 12.276 -2.097 1.00 5.10 O ATOM 0 H ASP A 45 10.451 8.615 -1.803 1.00 3.04 H new ATOM 0 HA ASP A 45 8.098 9.875 -2.845 1.00 24.24 H new ATOM 0 HB2 ASP A 45 10.922 9.809 -3.966 1.00 53.11 H new ATOM 0 HB3 ASP A 45 9.715 11.067 -4.153 1.00 53.11 H new ATOM 712 N ILE A 46 7.644 8.304 -4.735 1.00 15.24 N ATOM 713 CA ILE A 46 7.280 7.346 -5.747 1.00 31.44 C ATOM 714 C ILE A 46 8.050 7.619 -7.027 1.00 61.15 C ATOM 715 O ILE A 46 7.999 8.719 -7.571 1.00 23.22 O ATOM 716 CB ILE A 46 5.722 7.333 -6.036 1.00 72.43 C ATOM 717 CG1 ILE A 46 4.881 6.823 -4.839 1.00 1.24 C ATOM 718 CG2 ILE A 46 5.388 6.520 -7.264 1.00 33.34 C ATOM 719 CD1 ILE A 46 4.673 7.810 -3.714 1.00 1.22 C ATOM 0 H ILE A 46 6.882 8.921 -4.455 1.00 15.24 H new ATOM 0 HA ILE A 46 7.543 6.359 -5.366 1.00 31.44 H new ATOM 0 HB ILE A 46 5.456 8.376 -6.208 1.00 72.43 H new ATOM 0 HG12 ILE A 46 3.904 6.514 -5.211 1.00 1.24 H new ATOM 0 HG13 ILE A 46 5.363 5.934 -4.433 1.00 1.24 H new ATOM 0 HG21 ILE A 46 4.311 6.535 -7.429 1.00 33.34 H new ATOM 0 HG22 ILE A 46 5.894 6.946 -8.131 1.00 33.34 H new ATOM 0 HG23 ILE A 46 5.718 5.491 -7.120 1.00 33.34 H new ATOM 0 HD11 ILE A 46 4.072 7.348 -2.931 1.00 1.22 H new ATOM 0 HD12 ILE A 46 5.639 8.103 -3.304 1.00 1.22 H new ATOM 0 HD13 ILE A 46 4.158 8.692 -4.094 1.00 1.22 H new ATOM 731 N SER A 47 8.762 6.616 -7.501 1.00 55.52 N ATOM 732 CA SER A 47 9.552 6.773 -8.675 1.00 44.34 C ATOM 733 C SER A 47 8.768 6.352 -9.906 1.00 20.41 C ATOM 734 O SER A 47 8.992 6.867 -10.998 1.00 42.32 O ATOM 735 CB SER A 47 10.848 5.977 -8.518 1.00 74.14 C ATOM 736 OG SER A 47 10.581 4.646 -8.068 1.00 1.43 O ATOM 0 H SER A 47 8.800 5.688 -7.080 1.00 55.52 H new ATOM 0 HA SER A 47 9.810 7.823 -8.810 1.00 44.34 H new ATOM 0 HB2 SER A 47 11.376 5.943 -9.471 1.00 74.14 H new ATOM 0 HB3 SER A 47 11.504 6.480 -7.808 1.00 74.14 H new ATOM 0 HG SER A 47 11.425 4.156 -7.977 1.00 1.43 H new ATOM 742 N VAL A 48 7.834 5.412 -9.738 1.00 72.31 N ATOM 743 CA VAL A 48 6.925 5.079 -10.838 1.00 5.44 C ATOM 744 C VAL A 48 5.526 4.850 -10.273 1.00 43.01 C ATOM 745 O VAL A 48 5.349 4.052 -9.346 1.00 31.42 O ATOM 746 CB VAL A 48 7.350 3.758 -11.579 1.00 22.33 C ATOM 747 CG1 VAL A 48 6.463 3.498 -12.792 1.00 24.44 C ATOM 748 CG2 VAL A 48 8.820 3.759 -11.993 1.00 2.22 C ATOM 0 H VAL A 48 7.689 4.882 -8.879 1.00 72.31 H new ATOM 0 HA VAL A 48 6.954 5.908 -11.545 1.00 5.44 H new ATOM 0 HB VAL A 48 7.216 2.949 -10.860 1.00 22.33 H new ATOM 0 HG11 VAL A 48 6.780 2.579 -13.284 1.00 24.44 H new ATOM 0 HG12 VAL A 48 5.426 3.398 -12.470 1.00 24.44 H new ATOM 0 HG13 VAL A 48 6.548 4.331 -13.490 1.00 24.44 H new ATOM 0 HG21 VAL A 48 9.056 2.823 -12.500 1.00 2.22 H new ATOM 0 HG22 VAL A 48 9.007 4.594 -12.668 1.00 2.22 H new ATOM 0 HG23 VAL A 48 9.447 3.860 -11.107 1.00 2.22 H new ATOM 758 N ASN A 49 4.550 5.509 -10.844 1.00 51.11 N ATOM 759 CA ASN A 49 3.153 5.325 -10.483 1.00 73.44 C ATOM 760 C ASN A 49 2.387 4.798 -11.697 1.00 4.14 C ATOM 761 O ASN A 49 2.588 5.297 -12.803 1.00 20.34 O ATOM 762 CB ASN A 49 2.528 6.651 -9.959 1.00 61.53 C ATOM 763 CG ASN A 49 2.445 7.767 -11.001 1.00 25.04 C ATOM 764 OD1 ASN A 49 3.393 8.504 -11.205 1.00 14.22 O ATOM 765 ND2 ASN A 49 1.295 7.934 -11.615 1.00 35.23 N ATOM 0 H ASN A 49 4.697 6.198 -11.582 1.00 51.11 H new ATOM 0 HA ASN A 49 3.086 4.598 -9.674 1.00 73.44 H new ATOM 0 HB2 ASN A 49 1.525 6.443 -9.587 1.00 61.53 H new ATOM 0 HB3 ASN A 49 3.115 7.005 -9.112 1.00 61.53 H new ATOM 0 HD21 ASN A 49 1.179 8.697 -12.282 1.00 35.23 H new ATOM 0 HD22 ASN A 49 0.518 7.301 -11.424 1.00 35.23 H new ATOM 772 N LYS A 50 1.571 3.776 -11.547 1.00 72.40 N ATOM 773 CA LYS A 50 0.755 3.358 -12.677 1.00 35.42 C ATOM 774 C LYS A 50 -0.697 3.349 -12.251 1.00 1.22 C ATOM 775 O LYS A 50 -1.011 2.968 -11.115 1.00 55.40 O ATOM 776 CB LYS A 50 1.068 1.901 -13.132 1.00 31.53 C ATOM 777 CG LYS A 50 2.534 1.484 -13.280 1.00 53.14 C ATOM 778 CD LYS A 50 3.192 1.219 -11.930 1.00 31.21 C ATOM 779 CE LYS A 50 4.492 0.462 -12.065 1.00 23.03 C ATOM 780 NZ LYS A 50 4.277 -0.923 -12.546 1.00 5.10 N ATOM 0 H LYS A 50 1.453 3.235 -10.691 1.00 72.40 H new ATOM 0 HA LYS A 50 0.965 4.052 -13.491 1.00 35.42 H new ATOM 0 HB2 LYS A 50 0.600 1.223 -12.419 1.00 31.53 H new ATOM 0 HB3 LYS A 50 0.578 1.741 -14.093 1.00 31.53 H new ATOM 0 HG2 LYS A 50 2.595 0.586 -13.895 1.00 53.14 H new ATOM 0 HG3 LYS A 50 3.083 2.267 -13.803 1.00 53.14 H new ATOM 0 HD2 LYS A 50 3.377 2.168 -11.426 1.00 31.21 H new ATOM 0 HD3 LYS A 50 2.507 0.651 -11.300 1.00 31.21 H new ATOM 0 HE2 LYS A 50 5.149 0.989 -12.757 1.00 23.03 H new ATOM 0 HE3 LYS A 50 4.999 0.437 -11.101 1.00 23.03 H new ATOM 0 HZ1 LYS A 50 5.185 -1.430 -12.561 1.00 5.10 H new ATOM 0 HZ2 LYS A 50 3.617 -1.413 -11.909 1.00 5.10 H new ATOM 0 HZ3 LYS A 50 3.878 -0.899 -13.506 1.00 5.10 H new ATOM 794 N ASN A 51 -1.564 3.777 -13.130 1.00 41.23 N ATOM 795 CA ASN A 51 -2.985 3.609 -12.954 1.00 31.10 C ATOM 796 C ASN A 51 -3.487 2.651 -14.015 1.00 41.03 C ATOM 797 O ASN A 51 -3.078 2.755 -15.166 1.00 53.23 O ATOM 798 CB ASN A 51 -3.770 4.943 -12.952 1.00 3.45 C ATOM 799 CG ASN A 51 -3.807 5.664 -14.293 1.00 42.02 C ATOM 800 OD1 ASN A 51 -4.706 5.464 -15.089 1.00 54.42 O ATOM 801 ND2 ASN A 51 -2.841 6.521 -14.539 1.00 23.44 N ATOM 0 H ASN A 51 -1.305 4.255 -13.993 1.00 41.23 H new ATOM 0 HA ASN A 51 -3.163 3.191 -11.963 1.00 31.10 H new ATOM 0 HB2 ASN A 51 -4.793 4.746 -12.633 1.00 3.45 H new ATOM 0 HB3 ASN A 51 -3.328 5.608 -12.210 1.00 3.45 H new ATOM 0 HD21 ASN A 51 -2.831 7.040 -15.417 1.00 23.44 H new ATOM 0 HD22 ASN A 51 -2.101 6.667 -13.852 1.00 23.44 H new ATOM 808 N ASN A 52 -4.306 1.716 -13.649 1.00 23.21 N ATOM 809 CA ASN A 52 -4.889 0.791 -14.629 1.00 4.42 C ATOM 810 C ASN A 52 -6.394 0.953 -14.607 1.00 32.01 C ATOM 811 O ASN A 52 -7.138 0.163 -15.188 1.00 13.13 O ATOM 812 CB ASN A 52 -4.570 -0.673 -14.288 1.00 2.52 C ATOM 813 CG ASN A 52 -3.085 -1.064 -14.280 1.00 2.41 C ATOM 814 OD1 ASN A 52 -2.192 -0.263 -14.013 1.00 4.01 O ATOM 815 ND2 ASN A 52 -2.823 -2.322 -14.540 1.00 5.52 N ATOM 0 H ASN A 52 -4.599 1.555 -12.685 1.00 23.21 H new ATOM 0 HA ASN A 52 -4.468 1.024 -15.607 1.00 4.42 H new ATOM 0 HB2 ASN A 52 -4.987 -0.894 -13.305 1.00 2.52 H new ATOM 0 HB3 ASN A 52 -5.088 -1.311 -15.004 1.00 2.52 H new ATOM 0 HD21 ASN A 52 -1.859 -2.656 -14.523 1.00 5.52 H new ATOM 0 HD22 ASN A 52 -3.583 -2.967 -14.759 1.00 5.52 H new ATOM 822 N GLY A 53 -6.844 1.952 -13.882 1.00 11.51 N ATOM 823 CA GLY A 53 -8.256 2.215 -13.752 1.00 5.52 C ATOM 824 C GLY A 53 -8.857 1.429 -12.613 1.00 33.52 C ATOM 825 O GLY A 53 -9.341 1.996 -11.643 1.00 64.22 O ATOM 0 H GLY A 53 -6.245 2.600 -13.370 1.00 11.51 H new ATOM 0 HA2 GLY A 53 -8.416 3.280 -13.586 1.00 5.52 H new ATOM 0 HA3 GLY A 53 -8.763 1.958 -14.682 1.00 5.52 H new ATOM 829 N THR A 54 -8.798 0.127 -12.720 1.00 31.45 N ATOM 830 CA THR A 54 -9.340 -0.742 -11.702 1.00 75.40 C ATOM 831 C THR A 54 -8.202 -1.419 -10.915 1.00 53.34 C ATOM 832 O THR A 54 -8.443 -2.249 -10.015 1.00 62.30 O ATOM 833 CB THR A 54 -10.348 -1.783 -12.305 1.00 54.11 C ATOM 834 OG1 THR A 54 -10.903 -2.624 -11.280 1.00 40.25 O ATOM 835 CG2 THR A 54 -9.701 -2.642 -13.384 1.00 24.40 C ATOM 0 H THR A 54 -8.376 -0.361 -13.510 1.00 31.45 H new ATOM 0 HA THR A 54 -9.912 -0.135 -11.001 1.00 75.40 H new ATOM 0 HB THR A 54 -11.153 -1.209 -12.765 1.00 54.11 H new ATOM 0 HG1 THR A 54 -10.210 -2.835 -10.620 1.00 40.25 H new ATOM 0 HG21 THR A 54 -10.433 -3.349 -13.774 1.00 24.40 H new ATOM 0 HG22 THR A 54 -9.346 -2.004 -14.193 1.00 24.40 H new ATOM 0 HG23 THR A 54 -8.860 -3.189 -12.958 1.00 24.40 H new ATOM 843 N ASP A 55 -6.982 -1.038 -11.249 1.00 23.22 N ATOM 844 CA ASP A 55 -5.774 -1.503 -10.573 1.00 22.31 C ATOM 845 C ASP A 55 -4.889 -0.284 -10.485 1.00 22.43 C ATOM 846 O ASP A 55 -5.035 0.635 -11.298 1.00 63.32 O ATOM 847 CB ASP A 55 -4.976 -2.596 -11.364 1.00 53.22 C ATOM 848 CG ASP A 55 -5.767 -3.800 -11.865 1.00 74.44 C ATOM 849 OD1 ASP A 55 -6.792 -3.635 -12.567 1.00 20.23 O ATOM 850 OD2 ASP A 55 -5.370 -4.952 -11.599 1.00 41.42 O ATOM 0 H ASP A 55 -6.795 -0.385 -12.010 1.00 23.22 H new ATOM 0 HA ASP A 55 -6.055 -1.952 -9.621 1.00 22.31 H new ATOM 0 HB2 ASP A 55 -4.506 -2.118 -12.223 1.00 53.22 H new ATOM 0 HB3 ASP A 55 -4.173 -2.960 -10.723 1.00 53.22 H new ATOM 855 N ALA A 56 -4.058 -0.218 -9.502 1.00 44.31 N ATOM 856 CA ALA A 56 -3.110 0.885 -9.354 1.00 12.13 C ATOM 857 C ALA A 56 -1.860 0.383 -8.676 1.00 33.24 C ATOM 858 O ALA A 56 -1.949 -0.503 -7.845 1.00 32.34 O ATOM 859 CB ALA A 56 -3.719 2.047 -8.582 1.00 65.32 C ATOM 0 H ALA A 56 -3.999 -0.920 -8.764 1.00 44.31 H new ATOM 0 HA ALA A 56 -2.856 1.260 -10.345 1.00 12.13 H new ATOM 0 HB1 ALA A 56 -2.985 2.848 -8.492 1.00 65.32 H new ATOM 0 HB2 ALA A 56 -4.596 2.416 -9.113 1.00 65.32 H new ATOM 0 HB3 ALA A 56 -4.012 1.710 -7.588 1.00 65.32 H new ATOM 865 N GLU A 57 -0.713 0.906 -9.025 1.00 41.31 N ATOM 866 CA GLU A 57 0.520 0.476 -8.386 1.00 35.53 C ATOM 867 C GLU A 57 1.512 1.626 -8.279 1.00 52.54 C ATOM 868 O GLU A 57 1.732 2.355 -9.246 1.00 54.20 O ATOM 869 CB GLU A 57 1.153 -0.710 -9.140 1.00 2.11 C ATOM 870 CG GLU A 57 2.439 -1.235 -8.508 1.00 52.01 C ATOM 871 CD GLU A 57 3.056 -2.364 -9.288 1.00 14.23 C ATOM 872 OE1 GLU A 57 3.513 -2.117 -10.429 1.00 42.50 O ATOM 873 OE2 GLU A 57 3.107 -3.488 -8.782 1.00 73.30 O ATOM 0 H GLU A 57 -0.599 1.624 -9.740 1.00 41.31 H new ATOM 0 HA GLU A 57 0.269 0.145 -7.378 1.00 35.53 H new ATOM 0 HB2 GLU A 57 0.428 -1.522 -9.192 1.00 2.11 H new ATOM 0 HB3 GLU A 57 1.363 -0.405 -10.165 1.00 2.11 H new ATOM 0 HG2 GLU A 57 3.158 -0.420 -8.428 1.00 52.01 H new ATOM 0 HG3 GLU A 57 2.228 -1.574 -7.494 1.00 52.01 H new ATOM 880 N ILE A 58 2.075 1.811 -7.109 1.00 32.23 N ATOM 881 CA ILE A 58 3.099 2.772 -6.896 1.00 55.32 C ATOM 882 C ILE A 58 4.375 2.080 -6.463 1.00 43.23 C ATOM 883 O ILE A 58 4.354 1.219 -5.570 1.00 62.11 O ATOM 884 CB ILE A 58 2.739 3.904 -5.891 1.00 63.25 C ATOM 885 CG1 ILE A 58 2.124 3.410 -4.550 1.00 44.03 C ATOM 886 CG2 ILE A 58 1.882 4.984 -6.541 1.00 40.45 C ATOM 887 CD1 ILE A 58 0.646 3.076 -4.599 1.00 4.53 C ATOM 0 H ILE A 58 1.822 1.284 -6.273 1.00 32.23 H new ATOM 0 HA ILE A 58 3.234 3.270 -7.856 1.00 55.32 H new ATOM 0 HB ILE A 58 3.695 4.347 -5.614 1.00 63.25 H new ATOM 0 HG12 ILE A 58 2.669 2.524 -4.224 1.00 44.03 H new ATOM 0 HG13 ILE A 58 2.281 4.178 -3.793 1.00 44.03 H new ATOM 0 HG21 ILE A 58 1.652 5.756 -5.807 1.00 40.45 H new ATOM 0 HG22 ILE A 58 2.426 5.427 -7.375 1.00 40.45 H new ATOM 0 HG23 ILE A 58 0.955 4.542 -6.906 1.00 40.45 H new ATOM 0 HD11 ILE A 58 0.316 2.742 -3.615 1.00 4.53 H new ATOM 0 HD12 ILE A 58 0.082 3.962 -4.890 1.00 4.53 H new ATOM 0 HD13 ILE A 58 0.476 2.283 -5.327 1.00 4.53 H new ATOM 899 N VAL A 59 5.463 2.419 -7.119 1.00 40.14 N ATOM 900 CA VAL A 59 6.749 1.829 -6.840 1.00 31.31 C ATOM 901 C VAL A 59 7.697 2.898 -6.314 1.00 11.23 C ATOM 902 O VAL A 59 7.841 3.960 -6.923 1.00 73.40 O ATOM 903 CB VAL A 59 7.383 1.214 -8.124 1.00 42.23 C ATOM 904 CG1 VAL A 59 8.666 0.453 -7.800 1.00 40.42 C ATOM 905 CG2 VAL A 59 6.398 0.324 -8.866 1.00 31.51 C ATOM 0 H VAL A 59 5.478 3.115 -7.864 1.00 40.14 H new ATOM 0 HA VAL A 59 6.598 1.042 -6.102 1.00 31.31 H new ATOM 0 HB VAL A 59 7.640 2.043 -8.783 1.00 42.23 H new ATOM 0 HG11 VAL A 59 9.083 0.036 -8.717 1.00 40.42 H new ATOM 0 HG12 VAL A 59 9.388 1.133 -7.349 1.00 40.42 H new ATOM 0 HG13 VAL A 59 8.444 -0.355 -7.103 1.00 40.42 H new ATOM 0 HG21 VAL A 59 6.877 -0.086 -9.755 1.00 31.51 H new ATOM 0 HG22 VAL A 59 6.082 -0.491 -8.215 1.00 31.51 H new ATOM 0 HG23 VAL A 59 5.528 0.911 -9.160 1.00 31.51 H new ATOM 915 N SER A 60 8.265 2.651 -5.170 1.00 50.12 N ATOM 916 CA SER A 60 9.298 3.483 -4.601 1.00 32.00 C ATOM 917 C SER A 60 10.459 2.550 -4.239 1.00 13.11 C ATOM 918 O SER A 60 10.222 1.369 -3.963 1.00 63.25 O ATOM 919 CB SER A 60 8.741 4.194 -3.370 1.00 52.52 C ATOM 920 OG SER A 60 7.494 4.780 -3.698 1.00 52.02 O ATOM 0 H SER A 60 8.021 1.849 -4.589 1.00 50.12 H new ATOM 0 HA SER A 60 9.643 4.251 -5.293 1.00 32.00 H new ATOM 0 HB2 SER A 60 8.620 3.486 -2.550 1.00 52.52 H new ATOM 0 HB3 SER A 60 9.438 4.960 -3.030 1.00 52.52 H new ATOM 0 HG SER A 60 7.356 5.582 -3.153 1.00 52.02 H new ATOM 926 N ALA A 61 11.677 3.019 -4.273 1.00 11.25 N ATOM 927 CA ALA A 61 12.813 2.136 -3.998 1.00 43.12 C ATOM 928 C ALA A 61 13.841 2.789 -3.095 1.00 51.02 C ATOM 929 O ALA A 61 13.979 4.008 -3.090 1.00 35.13 O ATOM 930 CB ALA A 61 13.464 1.692 -5.304 1.00 13.24 C ATOM 0 H ALA A 61 11.921 3.987 -4.483 1.00 11.25 H new ATOM 0 HA ALA A 61 12.426 1.264 -3.471 1.00 43.12 H new ATOM 0 HB1 ALA A 61 14.307 1.036 -5.086 1.00 13.24 H new ATOM 0 HB2 ALA A 61 12.734 1.155 -5.910 1.00 13.24 H new ATOM 0 HB3 ALA A 61 13.817 2.567 -5.850 1.00 13.24 H new ATOM 936 N SER A 62 14.558 1.972 -2.336 1.00 35.55 N ATOM 937 CA SER A 62 15.610 2.455 -1.478 1.00 35.30 C ATOM 938 C SER A 62 16.868 2.737 -2.300 1.00 34.41 C ATOM 939 O SER A 62 17.112 2.083 -3.309 1.00 51.44 O ATOM 940 CB SER A 62 15.927 1.415 -0.417 1.00 32.01 C ATOM 941 OG SER A 62 14.789 1.092 0.345 1.00 20.22 O ATOM 0 H SER A 62 14.421 0.962 -2.303 1.00 35.55 H new ATOM 0 HA SER A 62 15.278 3.376 -0.999 1.00 35.30 H new ATOM 0 HB2 SER A 62 16.315 0.514 -0.893 1.00 32.01 H new ATOM 0 HB3 SER A 62 16.711 1.791 0.240 1.00 32.01 H new ATOM 0 HG SER A 62 14.275 0.396 -0.114 1.00 20.22 H new ATOM 947 N ASP A 63 17.645 3.707 -1.859 1.00 4.33 N ATOM 948 CA ASP A 63 18.895 4.076 -2.539 1.00 42.42 C ATOM 949 C ASP A 63 20.048 3.184 -2.069 1.00 1.21 C ATOM 950 O ASP A 63 20.910 2.798 -2.843 1.00 25.14 O ATOM 951 CB ASP A 63 19.193 5.554 -2.234 1.00 41.43 C ATOM 952 CG ASP A 63 20.550 6.036 -2.717 1.00 53.22 C ATOM 953 OD1 ASP A 63 20.651 6.450 -3.885 1.00 4.13 O ATOM 954 OD2 ASP A 63 21.491 6.048 -1.896 1.00 11.13 O ATOM 0 H ASP A 63 17.441 4.263 -1.029 1.00 4.33 H new ATOM 0 HA ASP A 63 18.788 3.934 -3.614 1.00 42.42 H new ATOM 0 HB2 ASP A 63 18.419 6.170 -2.692 1.00 41.43 H new ATOM 0 HB3 ASP A 63 19.128 5.710 -1.157 1.00 41.43 H new ATOM 959 N SER A 64 19.980 2.768 -0.822 1.00 43.40 N ATOM 960 CA SER A 64 20.995 1.914 -0.258 1.00 15.14 C ATOM 961 C SER A 64 20.676 0.462 -0.567 1.00 11.13 C ATOM 962 O SER A 64 21.535 -0.336 -0.970 1.00 2.41 O ATOM 963 CB SER A 64 21.011 2.143 1.255 1.00 41.22 C ATOM 964 OG SER A 64 19.677 2.030 1.793 1.00 43.20 O ATOM 0 H SER A 64 19.226 3.011 -0.179 1.00 43.40 H new ATOM 0 HA SER A 64 21.971 2.145 -0.684 1.00 15.14 H new ATOM 0 HB2 SER A 64 21.666 1.415 1.733 1.00 41.22 H new ATOM 0 HB3 SER A 64 21.417 3.130 1.476 1.00 41.22 H new ATOM 0 HG SER A 64 19.487 1.091 2.001 1.00 43.20 H new ATOM 970 N ASP A 65 19.427 0.144 -0.417 1.00 75.15 N ATOM 971 CA ASP A 65 18.955 -1.185 -0.588 1.00 53.42 C ATOM 972 C ASP A 65 18.303 -1.320 -1.915 1.00 72.02 C ATOM 973 O ASP A 65 17.142 -0.993 -2.077 1.00 32.22 O ATOM 974 CB ASP A 65 17.948 -1.562 0.501 1.00 24.10 C ATOM 975 CG ASP A 65 18.520 -1.605 1.892 1.00 65.42 C ATOM 976 OD1 ASP A 65 18.964 -0.536 2.395 1.00 50.13 O ATOM 977 OD2 ASP A 65 18.511 -2.697 2.495 1.00 71.33 O ATOM 0 H ASP A 65 18.700 0.815 -0.168 1.00 75.15 H new ATOM 0 HA ASP A 65 19.812 -1.855 -0.519 1.00 53.42 H new ATOM 0 HB2 ASP A 65 17.126 -0.846 0.482 1.00 24.10 H new ATOM 0 HB3 ASP A 65 17.526 -2.539 0.265 1.00 24.10 H new ATOM 982 N SER A 66 19.050 -1.782 -2.875 1.00 41.13 N ATOM 983 CA SER A 66 18.518 -2.058 -4.198 1.00 13.35 C ATOM 984 C SER A 66 17.475 -3.197 -4.121 1.00 4.32 C ATOM 985 O SER A 66 16.657 -3.370 -5.019 1.00 72.12 O ATOM 986 CB SER A 66 19.667 -2.425 -5.160 1.00 14.32 C ATOM 987 OG SER A 66 19.201 -2.683 -6.473 1.00 31.53 O ATOM 0 H SER A 66 20.045 -1.981 -2.774 1.00 41.13 H new ATOM 0 HA SER A 66 18.022 -1.166 -4.581 1.00 13.35 H new ATOM 0 HB2 SER A 66 20.391 -1.611 -5.186 1.00 14.32 H new ATOM 0 HB3 SER A 66 20.189 -3.304 -4.782 1.00 14.32 H new ATOM 0 HG SER A 66 19.959 -2.910 -7.051 1.00 31.53 H new ATOM 993 N THR A 67 17.519 -3.951 -3.038 1.00 23.34 N ATOM 994 CA THR A 67 16.626 -5.051 -2.839 1.00 15.13 C ATOM 995 C THR A 67 15.365 -4.615 -2.061 1.00 32.30 C ATOM 996 O THR A 67 14.370 -5.348 -2.030 1.00 22.13 O ATOM 997 CB THR A 67 17.344 -6.236 -2.116 1.00 53.03 C ATOM 998 OG1 THR A 67 16.466 -7.354 -1.970 1.00 30.44 O ATOM 999 CG2 THR A 67 17.877 -5.820 -0.746 1.00 74.52 C ATOM 0 H THR A 67 18.181 -3.808 -2.276 1.00 23.34 H new ATOM 0 HA THR A 67 16.309 -5.399 -3.822 1.00 15.13 H new ATOM 0 HB THR A 67 18.189 -6.525 -2.741 1.00 53.03 H new ATOM 0 HG1 THR A 67 15.537 -7.054 -2.057 1.00 30.44 H new ATOM 0 HG21 THR A 67 18.370 -6.670 -0.274 1.00 74.52 H new ATOM 0 HG22 THR A 67 18.593 -5.006 -0.866 1.00 74.52 H new ATOM 0 HG23 THR A 67 17.050 -5.486 -0.120 1.00 74.52 H new ATOM 1007 N ASP A 68 15.384 -3.425 -1.468 1.00 72.21 N ATOM 1008 CA ASP A 68 14.232 -2.978 -0.702 1.00 74.14 C ATOM 1009 C ASP A 68 13.499 -1.935 -1.479 1.00 42.21 C ATOM 1010 O ASP A 68 14.045 -0.890 -1.842 1.00 12.23 O ATOM 1011 CB ASP A 68 14.595 -2.476 0.708 1.00 50.50 C ATOM 1012 CG ASP A 68 13.368 -2.253 1.595 1.00 34.44 C ATOM 1013 OD1 ASP A 68 12.371 -3.004 1.433 1.00 64.23 O ATOM 1014 OD2 ASP A 68 13.401 -1.348 2.488 1.00 4.25 O ATOM 0 H ASP A 68 16.165 -2.769 -1.502 1.00 72.21 H new ATOM 0 HA ASP A 68 13.586 -3.841 -0.543 1.00 74.14 H new ATOM 0 HB2 ASP A 68 15.256 -3.198 1.186 1.00 50.50 H new ATOM 0 HB3 ASP A 68 15.151 -1.542 0.624 1.00 50.50 H new ATOM 1019 N SER A 69 12.298 -2.238 -1.802 1.00 31.43 N ATOM 1020 CA SER A 69 11.494 -1.368 -2.566 1.00 14.35 C ATOM 1021 C SER A 69 10.072 -1.507 -2.132 1.00 74.14 C ATOM 1022 O SER A 69 9.572 -2.626 -1.961 1.00 62.21 O ATOM 1023 CB SER A 69 11.674 -1.650 -4.071 1.00 33.34 C ATOM 1024 OG SER A 69 11.613 -3.053 -4.343 1.00 31.45 O ATOM 0 H SER A 69 11.841 -3.111 -1.538 1.00 31.43 H new ATOM 0 HA SER A 69 11.801 -0.335 -2.400 1.00 14.35 H new ATOM 0 HB2 SER A 69 10.899 -1.133 -4.636 1.00 33.34 H new ATOM 0 HB3 SER A 69 12.632 -1.253 -4.407 1.00 33.34 H new ATOM 0 HG SER A 69 12.129 -3.252 -5.152 1.00 31.45 H new ATOM 1030 N LEU A 70 9.427 -0.405 -1.976 1.00 14.31 N ATOM 1031 CA LEU A 70 8.081 -0.373 -1.541 1.00 20.25 C ATOM 1032 C LEU A 70 7.236 -0.355 -2.794 1.00 65.02 C ATOM 1033 O LEU A 70 7.292 0.587 -3.583 1.00 72.12 O ATOM 1034 CB LEU A 70 7.861 0.888 -0.653 1.00 13.14 C ATOM 1035 CG LEU A 70 6.512 1.051 0.103 1.00 61.51 C ATOM 1036 CD1 LEU A 70 5.346 1.282 -0.843 1.00 40.41 C ATOM 1037 CD2 LEU A 70 6.247 -0.153 1.000 1.00 31.11 C ATOM 0 H LEU A 70 9.830 0.515 -2.151 1.00 14.31 H new ATOM 0 HA LEU A 70 7.810 -1.234 -0.930 1.00 20.25 H new ATOM 0 HB2 LEU A 70 8.659 0.911 0.089 1.00 13.14 H new ATOM 0 HB3 LEU A 70 7.990 1.764 -1.288 1.00 13.14 H new ATOM 0 HG LEU A 70 6.600 1.941 0.727 1.00 61.51 H new ATOM 0 HD11 LEU A 70 4.427 1.390 -0.268 1.00 40.41 H new ATOM 0 HD12 LEU A 70 5.521 2.189 -1.421 1.00 40.41 H new ATOM 0 HD13 LEU A 70 5.253 0.433 -1.520 1.00 40.41 H new ATOM 0 HD21 LEU A 70 5.298 -0.018 1.519 1.00 31.11 H new ATOM 0 HD22 LEU A 70 6.203 -1.057 0.392 1.00 31.11 H new ATOM 0 HD23 LEU A 70 7.050 -0.246 1.731 1.00 31.11 H new ATOM 1049 N GLN A 71 6.529 -1.412 -3.005 1.00 74.42 N ATOM 1050 CA GLN A 71 5.700 -1.548 -4.164 1.00 1.22 C ATOM 1051 C GLN A 71 4.330 -1.949 -3.703 1.00 15.14 C ATOM 1052 O GLN A 71 4.177 -2.980 -3.039 1.00 73.40 O ATOM 1053 CB GLN A 71 6.294 -2.613 -5.081 1.00 43.44 C ATOM 1054 CG GLN A 71 5.618 -2.764 -6.425 1.00 71.31 C ATOM 1055 CD GLN A 71 6.276 -3.840 -7.268 1.00 63.21 C ATOM 1056 OE1 GLN A 71 7.493 -4.114 -7.130 1.00 43.42 O ATOM 1057 NE2 GLN A 71 5.533 -4.423 -8.160 1.00 54.23 N ATOM 0 H GLN A 71 6.506 -2.215 -2.376 1.00 74.42 H new ATOM 0 HA GLN A 71 5.641 -0.612 -4.719 1.00 1.22 H new ATOM 0 HB2 GLN A 71 7.346 -2.380 -5.247 1.00 43.44 H new ATOM 0 HB3 GLN A 71 6.258 -3.573 -4.566 1.00 43.44 H new ATOM 0 HG2 GLN A 71 4.566 -3.010 -6.277 1.00 71.31 H new ATOM 0 HG3 GLN A 71 5.651 -1.814 -6.958 1.00 71.31 H new ATOM 0 HE21 GLN A 71 4.547 -4.175 -8.244 1.00 54.23 H new ATOM 0 HE22 GLN A 71 5.935 -5.129 -8.777 1.00 54.23 H new ATOM 1066 N VAL A 72 3.358 -1.130 -3.978 1.00 22.24 N ATOM 1067 CA VAL A 72 2.010 -1.418 -3.565 1.00 72.14 C ATOM 1068 C VAL A 72 1.109 -1.502 -4.771 1.00 21.04 C ATOM 1069 O VAL A 72 1.002 -0.542 -5.536 1.00 65.31 O ATOM 1070 CB VAL A 72 1.460 -0.335 -2.586 1.00 63.53 C ATOM 1071 CG1 VAL A 72 0.016 -0.617 -2.216 1.00 4.31 C ATOM 1072 CG2 VAL A 72 2.297 -0.272 -1.330 1.00 51.42 C ATOM 0 H VAL A 72 3.471 -0.254 -4.488 1.00 22.24 H new ATOM 0 HA VAL A 72 2.025 -2.374 -3.041 1.00 72.14 H new ATOM 0 HB VAL A 72 1.512 0.625 -3.099 1.00 63.53 H new ATOM 0 HG11 VAL A 72 -0.342 0.153 -1.533 1.00 4.31 H new ATOM 0 HG12 VAL A 72 -0.597 -0.616 -3.117 1.00 4.31 H new ATOM 0 HG13 VAL A 72 -0.052 -1.591 -1.732 1.00 4.31 H new ATOM 0 HG21 VAL A 72 1.895 0.490 -0.662 1.00 51.42 H new ATOM 0 HG22 VAL A 72 2.276 -1.240 -0.830 1.00 51.42 H new ATOM 0 HG23 VAL A 72 3.325 -0.020 -1.590 1.00 51.42 H new ATOM 1082 N ALA A 73 0.458 -2.625 -4.906 1.00 63.44 N ATOM 1083 CA ALA A 73 -0.481 -2.867 -5.958 1.00 43.15 C ATOM 1084 C ALA A 73 -1.875 -2.902 -5.362 1.00 4.23 C ATOM 1085 O ALA A 73 -2.110 -3.540 -4.324 1.00 60.30 O ATOM 1086 CB ALA A 73 -0.161 -4.172 -6.674 1.00 0.13 C ATOM 0 H ALA A 73 0.571 -3.414 -4.270 1.00 63.44 H new ATOM 0 HA ALA A 73 -0.422 -2.068 -6.697 1.00 43.15 H new ATOM 0 HB1 ALA A 73 -0.887 -4.338 -7.470 1.00 0.13 H new ATOM 0 HB2 ALA A 73 0.840 -4.117 -7.101 1.00 0.13 H new ATOM 0 HB3 ALA A 73 -0.207 -4.998 -5.964 1.00 0.13 H new ATOM 1092 N MET A 74 -2.767 -2.200 -5.979 1.00 51.42 N ATOM 1093 CA MET A 74 -4.130 -2.067 -5.531 1.00 41.10 C ATOM 1094 C MET A 74 -5.032 -2.663 -6.562 1.00 74.23 C ATOM 1095 O MET A 74 -4.845 -2.424 -7.755 1.00 11.02 O ATOM 1096 CB MET A 74 -4.488 -0.592 -5.414 1.00 54.14 C ATOM 1097 CG MET A 74 -3.565 0.216 -4.556 1.00 23.33 C ATOM 1098 SD MET A 74 -3.968 1.952 -4.577 1.00 33.31 S ATOM 1099 CE MET A 74 -2.646 2.575 -3.576 1.00 53.41 C ATOM 0 H MET A 74 -2.570 -1.684 -6.836 1.00 51.42 H new ATOM 0 HA MET A 74 -4.242 -2.565 -4.568 1.00 41.10 H new ATOM 0 HB2 MET A 74 -4.505 -0.157 -6.413 1.00 54.14 H new ATOM 0 HB3 MET A 74 -5.498 -0.509 -5.013 1.00 54.14 H new ATOM 0 HG2 MET A 74 -3.609 -0.153 -3.531 1.00 23.33 H new ATOM 0 HG3 MET A 74 -2.540 0.079 -4.900 1.00 23.33 H new ATOM 0 HE1 MET A 74 -2.485 3.629 -3.801 1.00 53.41 H new ATOM 0 HE2 MET A 74 -2.903 2.464 -2.523 1.00 53.41 H new ATOM 0 HE3 MET A 74 -1.735 2.016 -3.788 1.00 53.41 H new ATOM 1109 N LYS A 75 -5.983 -3.421 -6.133 1.00 33.04 N ATOM 1110 CA LYS A 75 -6.933 -3.997 -7.030 1.00 21.12 C ATOM 1111 C LYS A 75 -8.330 -3.681 -6.556 1.00 14.12 C ATOM 1112 O LYS A 75 -8.649 -3.892 -5.376 1.00 13.03 O ATOM 1113 CB LYS A 75 -6.754 -5.512 -7.091 1.00 1.23 C ATOM 1114 CG LYS A 75 -7.691 -6.199 -8.062 1.00 21.12 C ATOM 1115 CD LYS A 75 -7.368 -5.768 -9.472 1.00 43.53 C ATOM 1116 CE LYS A 75 -8.233 -6.423 -10.522 1.00 64.22 C ATOM 1117 NZ LYS A 75 -7.809 -5.995 -11.877 1.00 34.13 N ATOM 0 H LYS A 75 -6.126 -3.660 -5.152 1.00 33.04 H new ATOM 0 HA LYS A 75 -6.775 -3.579 -8.024 1.00 21.12 H new ATOM 0 HB2 LYS A 75 -5.725 -5.736 -7.373 1.00 1.23 H new ATOM 0 HB3 LYS A 75 -6.909 -5.927 -6.095 1.00 1.23 H new ATOM 0 HG2 LYS A 75 -7.595 -7.281 -7.971 1.00 21.12 H new ATOM 0 HG3 LYS A 75 -8.725 -5.950 -7.823 1.00 21.12 H new ATOM 0 HD2 LYS A 75 -7.479 -4.686 -9.546 1.00 43.53 H new ATOM 0 HD3 LYS A 75 -6.323 -5.996 -9.681 1.00 43.53 H new ATOM 0 HE2 LYS A 75 -8.162 -7.507 -10.437 1.00 64.22 H new ATOM 0 HE3 LYS A 75 -9.278 -6.158 -10.360 1.00 64.22 H new ATOM 0 HZ1 LYS A 75 -8.254 -6.608 -12.590 1.00 34.13 H new ATOM 0 HZ2 LYS A 75 -8.101 -5.010 -12.037 1.00 34.13 H new ATOM 0 HZ3 LYS A 75 -6.774 -6.066 -11.956 1.00 34.13 H new ATOM 1131 N LYS A 76 -9.158 -3.170 -7.441 1.00 60.00 N ATOM 1132 CA LYS A 76 -10.523 -2.921 -7.087 1.00 0.32 C ATOM 1133 C LYS A 76 -11.298 -4.210 -7.213 1.00 4.43 C ATOM 1134 O LYS A 76 -11.298 -4.854 -8.265 1.00 2.23 O ATOM 1135 CB LYS A 76 -11.187 -1.868 -7.973 1.00 72.32 C ATOM 1136 CG LYS A 76 -12.510 -1.359 -7.389 1.00 54.51 C ATOM 1137 CD LYS A 76 -13.293 -0.501 -8.366 1.00 64.21 C ATOM 1138 CE LYS A 76 -14.146 -1.359 -9.290 1.00 43.03 C ATOM 1139 NZ LYS A 76 -15.195 -2.103 -8.524 1.00 65.43 N ATOM 0 H LYS A 76 -8.907 -2.924 -8.398 1.00 60.00 H new ATOM 0 HA LYS A 76 -10.529 -2.541 -6.065 1.00 0.32 H new ATOM 0 HB2 LYS A 76 -10.505 -1.028 -8.106 1.00 72.32 H new ATOM 0 HB3 LYS A 76 -11.369 -2.291 -8.961 1.00 72.32 H new ATOM 0 HG2 LYS A 76 -13.121 -2.210 -7.090 1.00 54.51 H new ATOM 0 HG3 LYS A 76 -12.306 -0.781 -6.488 1.00 54.51 H new ATOM 0 HD2 LYS A 76 -13.931 0.191 -7.816 1.00 64.21 H new ATOM 0 HD3 LYS A 76 -12.604 0.102 -8.958 1.00 64.21 H new ATOM 0 HE2 LYS A 76 -14.620 -0.728 -10.042 1.00 43.03 H new ATOM 0 HE3 LYS A 76 -13.511 -2.067 -9.823 1.00 43.03 H new ATOM 0 HZ1 LYS A 76 -15.901 -2.486 -9.185 1.00 65.43 H new ATOM 0 HZ2 LYS A 76 -14.753 -2.884 -7.999 1.00 65.43 H new ATOM 0 HZ3 LYS A 76 -15.661 -1.457 -7.856 1.00 65.43 H new ATOM 1153 N LEU A 77 -11.939 -4.566 -6.168 1.00 1.21 N ATOM 1154 CA LEU A 77 -12.768 -5.733 -6.123 1.00 1.14 C ATOM 1155 C LEU A 77 -14.146 -5.296 -6.664 1.00 71.35 C ATOM 1156 O LEU A 77 -14.494 -4.101 -6.555 1.00 61.51 O ATOM 1157 CB LEU A 77 -12.792 -6.255 -4.643 1.00 63.32 C ATOM 1158 CG LEU A 77 -13.463 -7.612 -4.302 1.00 33.33 C ATOM 1159 CD1 LEU A 77 -12.937 -8.117 -2.967 1.00 32.44 C ATOM 1160 CD2 LEU A 77 -14.975 -7.472 -4.199 1.00 31.54 C ATOM 0 H LEU A 77 -11.909 -4.048 -5.290 1.00 1.21 H new ATOM 0 HA LEU A 77 -12.411 -6.564 -6.732 1.00 1.14 H new ATOM 0 HB2 LEU A 77 -11.758 -6.312 -4.304 1.00 63.32 H new ATOM 0 HB3 LEU A 77 -13.283 -5.492 -4.040 1.00 63.32 H new ATOM 0 HG LEU A 77 -13.225 -8.312 -5.103 1.00 33.33 H new ATOM 0 HD11 LEU A 77 -13.408 -9.070 -2.727 1.00 32.44 H new ATOM 0 HD12 LEU A 77 -11.857 -8.251 -3.029 1.00 32.44 H new ATOM 0 HD13 LEU A 77 -13.168 -7.392 -2.187 1.00 32.44 H new ATOM 0 HD21 LEU A 77 -15.415 -8.440 -3.959 1.00 31.54 H new ATOM 0 HD22 LEU A 77 -15.222 -6.757 -3.414 1.00 31.54 H new ATOM 0 HD23 LEU A 77 -15.373 -7.118 -5.150 1.00 31.54 H new ATOM 1172 N PRO A 78 -14.885 -6.200 -7.359 1.00 51.14 N ATOM 1173 CA PRO A 78 -16.214 -5.913 -7.945 1.00 70.12 C ATOM 1174 C PRO A 78 -17.108 -5.034 -7.060 1.00 44.12 C ATOM 1175 O PRO A 78 -17.539 -3.964 -7.486 1.00 32.15 O ATOM 1176 CB PRO A 78 -16.811 -7.305 -8.104 1.00 5.03 C ATOM 1177 CG PRO A 78 -15.637 -8.162 -8.428 1.00 31.41 C ATOM 1178 CD PRO A 78 -14.466 -7.588 -7.665 1.00 52.03 C ATOM 0 HA PRO A 78 -16.132 -5.343 -8.870 1.00 70.12 H new ATOM 0 HB2 PRO A 78 -17.306 -7.634 -7.191 1.00 5.03 H new ATOM 0 HB3 PRO A 78 -17.557 -7.332 -8.898 1.00 5.03 H new ATOM 0 HG2 PRO A 78 -15.820 -9.197 -8.138 1.00 31.41 H new ATOM 0 HG3 PRO A 78 -15.440 -8.161 -9.500 1.00 31.41 H new ATOM 0 HD2 PRO A 78 -14.266 -8.154 -6.756 1.00 52.03 H new ATOM 0 HD3 PRO A 78 -13.553 -7.608 -8.260 1.00 52.03 H new ATOM 1186 N ASN A 79 -17.265 -5.442 -5.812 1.00 34.42 N ATOM 1187 CA ASN A 79 -18.135 -4.769 -4.810 1.00 1.54 C ATOM 1188 C ASN A 79 -17.509 -3.480 -4.253 1.00 41.41 C ATOM 1189 O ASN A 79 -17.937 -2.983 -3.225 1.00 55.42 O ATOM 1190 CB ASN A 79 -18.449 -5.715 -3.623 1.00 43.41 C ATOM 1191 CG ASN A 79 -19.182 -6.998 -4.006 1.00 5.53 C ATOM 1192 OD1 ASN A 79 -18.999 -7.542 -5.086 1.00 52.42 O ATOM 1193 ND2 ASN A 79 -20.007 -7.490 -3.115 1.00 13.41 N ATOM 0 H ASN A 79 -16.790 -6.265 -5.441 1.00 34.42 H new ATOM 0 HA ASN A 79 -19.052 -4.508 -5.338 1.00 1.54 H new ATOM 0 HB2 ASN A 79 -17.514 -5.980 -3.130 1.00 43.41 H new ATOM 0 HB3 ASN A 79 -19.051 -5.173 -2.893 1.00 43.41 H new ATOM 0 HD21 ASN A 79 -20.518 -8.350 -3.313 1.00 13.41 H new ATOM 0 HD22 ASN A 79 -20.138 -7.013 -2.223 1.00 13.41 H new ATOM 1200 N ASN A 80 -16.510 -2.953 -4.956 1.00 31.15 N ATOM 1201 CA ASN A 80 -15.801 -1.703 -4.600 1.00 54.44 C ATOM 1202 C ASN A 80 -14.997 -1.830 -3.334 1.00 24.54 C ATOM 1203 O ASN A 80 -14.750 -0.866 -2.643 1.00 63.54 O ATOM 1204 CB ASN A 80 -16.739 -0.484 -4.551 1.00 32.00 C ATOM 1205 CG ASN A 80 -17.310 -0.137 -5.915 1.00 64.23 C ATOM 1206 OD1 ASN A 80 -16.678 -0.391 -6.964 1.00 65.11 O ATOM 1207 ND2 ASN A 80 -18.486 0.435 -5.933 1.00 75.12 N ATOM 0 H ASN A 80 -16.155 -3.384 -5.810 1.00 31.15 H new ATOM 0 HA ASN A 80 -15.092 -1.528 -5.409 1.00 54.44 H new ATOM 0 HB2 ASN A 80 -17.556 -0.686 -3.859 1.00 32.00 H new ATOM 0 HB3 ASN A 80 -16.194 0.375 -4.159 1.00 32.00 H new ATOM 0 HD21 ASN A 80 -18.916 0.689 -6.822 1.00 75.12 H new ATOM 0 HD22 ASN A 80 -18.973 0.627 -5.058 1.00 75.12 H new ATOM 1214 N ALA A 81 -14.539 -3.023 -3.090 1.00 72.25 N ATOM 1215 CA ALA A 81 -13.644 -3.305 -1.998 1.00 30.00 C ATOM 1216 C ALA A 81 -12.240 -3.287 -2.577 1.00 42.10 C ATOM 1217 O ALA A 81 -12.088 -3.342 -3.796 1.00 51.04 O ATOM 1218 CB ALA A 81 -13.965 -4.663 -1.389 1.00 4.02 C ATOM 0 H ALA A 81 -14.778 -3.841 -3.650 1.00 72.25 H new ATOM 0 HA ALA A 81 -13.743 -2.568 -1.201 1.00 30.00 H new ATOM 0 HB1 ALA A 81 -13.281 -4.863 -0.565 1.00 4.02 H new ATOM 0 HB2 ALA A 81 -14.990 -4.662 -1.018 1.00 4.02 H new ATOM 0 HB3 ALA A 81 -13.855 -5.437 -2.148 1.00 4.02 H new ATOM 1224 N THR A 82 -11.241 -3.173 -1.773 1.00 24.42 N ATOM 1225 CA THR A 82 -9.910 -3.102 -2.299 1.00 73.25 C ATOM 1226 C THR A 82 -9.053 -4.281 -1.827 1.00 54.52 C ATOM 1227 O THR A 82 -9.012 -4.603 -0.642 1.00 15.44 O ATOM 1228 CB THR A 82 -9.248 -1.775 -1.899 1.00 51.23 C ATOM 1229 OG1 THR A 82 -10.137 -0.705 -2.225 1.00 61.10 O ATOM 1230 CG2 THR A 82 -7.936 -1.571 -2.655 1.00 22.12 C ATOM 0 H THR A 82 -11.312 -3.127 -0.756 1.00 24.42 H new ATOM 0 HA THR A 82 -9.981 -3.154 -3.385 1.00 73.25 H new ATOM 0 HB THR A 82 -9.037 -1.795 -0.830 1.00 51.23 H new ATOM 0 HG1 THR A 82 -10.865 -0.674 -1.570 1.00 61.10 H new ATOM 0 HG21 THR A 82 -7.486 -0.625 -2.355 1.00 22.12 H new ATOM 0 HG22 THR A 82 -7.252 -2.387 -2.424 1.00 22.12 H new ATOM 0 HG23 THR A 82 -8.132 -1.555 -3.727 1.00 22.12 H new ATOM 1238 N ARG A 83 -8.389 -4.911 -2.751 1.00 1.42 N ATOM 1239 CA ARG A 83 -7.471 -5.971 -2.452 1.00 51.21 C ATOM 1240 C ARG A 83 -6.093 -5.350 -2.600 1.00 50.11 C ATOM 1241 O ARG A 83 -5.776 -4.805 -3.655 1.00 51.12 O ATOM 1242 CB ARG A 83 -7.683 -7.100 -3.473 1.00 3.03 C ATOM 1243 CG ARG A 83 -6.808 -8.340 -3.317 1.00 22.20 C ATOM 1244 CD ARG A 83 -7.141 -9.154 -2.070 1.00 64.31 C ATOM 1245 NE ARG A 83 -6.413 -10.441 -2.081 1.00 45.35 N ATOM 1246 CZ ARG A 83 -6.571 -11.459 -1.204 1.00 45.11 C ATOM 1247 NH1 ARG A 83 -7.421 -11.360 -0.183 1.00 50.13 N ATOM 1248 NH2 ARG A 83 -5.870 -12.584 -1.371 1.00 51.41 N ATOM 0 H ARG A 83 -8.471 -4.701 -3.746 1.00 1.42 H new ATOM 0 HA ARG A 83 -7.603 -6.395 -1.457 1.00 51.21 H new ATOM 0 HB2 ARG A 83 -8.726 -7.412 -3.423 1.00 3.03 H new ATOM 0 HB3 ARG A 83 -7.519 -6.692 -4.470 1.00 3.03 H new ATOM 0 HG2 ARG A 83 -6.923 -8.972 -4.198 1.00 22.20 H new ATOM 0 HG3 ARG A 83 -5.762 -8.037 -3.277 1.00 22.20 H new ATOM 0 HD2 ARG A 83 -6.876 -8.587 -1.177 1.00 64.31 H new ATOM 0 HD3 ARG A 83 -8.215 -9.337 -2.024 1.00 64.31 H new ATOM 0 HE ARG A 83 -5.725 -10.574 -2.822 1.00 45.35 H new ATOM 0 HH11 ARG A 83 -7.965 -10.507 -0.053 1.00 50.13 H new ATOM 0 HH12 ARG A 83 -7.528 -12.137 0.469 1.00 50.13 H new ATOM 0 HH21 ARG A 83 -5.223 -12.670 -2.154 1.00 51.41 H new ATOM 0 HH22 ARG A 83 -5.982 -13.357 -0.715 1.00 51.41 H new ATOM 1262 N ILE A 84 -5.304 -5.381 -1.563 1.00 32.35 N ATOM 1263 CA ILE A 84 -4.040 -4.688 -1.589 1.00 23.21 C ATOM 1264 C ILE A 84 -2.897 -5.704 -1.528 1.00 55.45 C ATOM 1265 O ILE A 84 -3.001 -6.732 -0.853 1.00 23.10 O ATOM 1266 CB ILE A 84 -3.928 -3.666 -0.387 1.00 54.03 C ATOM 1267 CG1 ILE A 84 -2.899 -2.583 -0.653 1.00 10.22 C ATOM 1268 CG2 ILE A 84 -3.588 -4.354 0.910 1.00 34.14 C ATOM 1269 CD1 ILE A 84 -3.342 -1.594 -1.684 1.00 24.21 C ATOM 0 H ILE A 84 -5.508 -5.874 -0.694 1.00 32.35 H new ATOM 0 HA ILE A 84 -3.973 -4.122 -2.518 1.00 23.21 H new ATOM 0 HB ILE A 84 -4.912 -3.206 -0.299 1.00 54.03 H new ATOM 0 HG12 ILE A 84 -2.684 -2.057 0.278 1.00 10.22 H new ATOM 0 HG13 ILE A 84 -1.968 -3.047 -0.979 1.00 10.22 H new ATOM 0 HG21 ILE A 84 -3.521 -3.614 1.708 1.00 34.14 H new ATOM 0 HG22 ILE A 84 -4.365 -5.079 1.152 1.00 34.14 H new ATOM 0 HG23 ILE A 84 -2.631 -4.867 0.810 1.00 34.14 H new ATOM 0 HD11 ILE A 84 -2.563 -0.846 -1.829 1.00 24.21 H new ATOM 0 HD12 ILE A 84 -3.530 -2.110 -2.626 1.00 24.21 H new ATOM 0 HD13 ILE A 84 -4.257 -1.105 -1.350 1.00 24.21 H new ATOM 1281 N SER A 85 -1.891 -5.473 -2.304 1.00 65.31 N ATOM 1282 CA SER A 85 -0.707 -6.282 -2.297 1.00 43.44 C ATOM 1283 C SER A 85 0.520 -5.386 -2.121 1.00 64.31 C ATOM 1284 O SER A 85 0.784 -4.511 -2.940 1.00 70.52 O ATOM 1285 CB SER A 85 -0.639 -7.104 -3.580 1.00 54.43 C ATOM 1286 OG SER A 85 -1.829 -7.874 -3.709 1.00 71.20 O ATOM 0 H SER A 85 -1.863 -4.705 -2.974 1.00 65.31 H new ATOM 0 HA SER A 85 -0.731 -6.981 -1.461 1.00 43.44 H new ATOM 0 HB2 SER A 85 -0.523 -6.446 -4.441 1.00 54.43 H new ATOM 0 HB3 SER A 85 0.232 -7.760 -3.560 1.00 54.43 H new ATOM 0 HG SER A 85 -1.789 -8.402 -4.533 1.00 71.20 H new ATOM 1292 N ILE A 86 1.220 -5.573 -1.044 1.00 3.25 N ATOM 1293 CA ILE A 86 2.396 -4.793 -0.731 1.00 71.33 C ATOM 1294 C ILE A 86 3.613 -5.687 -0.825 1.00 64.30 C ATOM 1295 O ILE A 86 3.585 -6.800 -0.336 1.00 1.25 O ATOM 1296 CB ILE A 86 2.304 -4.225 0.718 1.00 54.23 C ATOM 1297 CG1 ILE A 86 1.057 -3.330 0.867 1.00 0.23 C ATOM 1298 CG2 ILE A 86 3.591 -3.476 1.116 1.00 60.23 C ATOM 1299 CD1 ILE A 86 0.821 -2.814 2.272 1.00 42.45 C ATOM 0 H ILE A 86 0.994 -6.279 -0.343 1.00 3.25 H new ATOM 0 HA ILE A 86 2.470 -3.964 -1.435 1.00 71.33 H new ATOM 0 HB ILE A 86 2.202 -5.065 1.405 1.00 54.23 H new ATOM 0 HG12 ILE A 86 1.152 -2.480 0.192 1.00 0.23 H new ATOM 0 HG13 ILE A 86 0.180 -3.893 0.548 1.00 0.23 H new ATOM 0 HG21 ILE A 86 3.490 -3.094 2.132 1.00 60.23 H new ATOM 0 HG22 ILE A 86 4.439 -4.159 1.067 1.00 60.23 H new ATOM 0 HG23 ILE A 86 3.755 -2.645 0.430 1.00 60.23 H new ATOM 0 HD11 ILE A 86 -0.075 -2.194 2.286 1.00 42.45 H new ATOM 0 HD12 ILE A 86 0.691 -3.656 2.952 1.00 42.45 H new ATOM 0 HD13 ILE A 86 1.678 -2.220 2.590 1.00 42.45 H new ATOM 1311 N LYS A 87 4.648 -5.211 -1.446 1.00 40.43 N ATOM 1312 CA LYS A 87 5.887 -5.940 -1.539 1.00 12.32 C ATOM 1313 C LYS A 87 6.922 -5.190 -0.747 1.00 70.40 C ATOM 1314 O LYS A 87 7.034 -3.966 -0.885 1.00 1.33 O ATOM 1315 CB LYS A 87 6.375 -5.987 -2.974 1.00 21.04 C ATOM 1316 CG LYS A 87 7.656 -6.797 -3.154 1.00 61.52 C ATOM 1317 CD LYS A 87 8.380 -6.427 -4.429 1.00 63.03 C ATOM 1318 CE LYS A 87 9.018 -5.049 -4.306 1.00 41.20 C ATOM 1319 NZ LYS A 87 9.671 -4.616 -5.557 1.00 5.32 N ATOM 0 H LYS A 87 4.663 -4.301 -1.907 1.00 40.43 H new ATOM 0 HA LYS A 87 5.731 -6.954 -1.170 1.00 12.32 H new ATOM 0 HB2 LYS A 87 5.593 -6.414 -3.602 1.00 21.04 H new ATOM 0 HB3 LYS A 87 6.545 -4.969 -3.325 1.00 21.04 H new ATOM 0 HG2 LYS A 87 8.314 -6.631 -2.301 1.00 61.52 H new ATOM 0 HG3 LYS A 87 7.415 -7.860 -3.168 1.00 61.52 H new ATOM 0 HD2 LYS A 87 9.147 -7.170 -4.646 1.00 63.03 H new ATOM 0 HD3 LYS A 87 7.681 -6.436 -5.266 1.00 63.03 H new ATOM 0 HE2 LYS A 87 8.255 -4.322 -4.028 1.00 41.20 H new ATOM 0 HE3 LYS A 87 9.754 -5.063 -3.502 1.00 41.20 H new ATOM 0 HZ1 LYS A 87 10.360 -3.866 -5.347 1.00 5.32 H new ATOM 0 HZ2 LYS A 87 10.160 -5.425 -5.991 1.00 5.32 H new ATOM 0 HZ3 LYS A 87 8.953 -4.252 -6.215 1.00 5.32 H new ATOM 1333 N TYR A 88 7.641 -5.889 0.083 1.00 41.20 N ATOM 1334 CA TYR A 88 8.692 -5.292 0.838 1.00 64.24 C ATOM 1335 C TYR A 88 9.971 -6.077 0.601 1.00 34.54 C ATOM 1336 O TYR A 88 9.891 -7.244 0.215 1.00 33.30 O ATOM 1337 CB TYR A 88 8.336 -5.287 2.292 1.00 4.12 C ATOM 1338 CG TYR A 88 9.068 -4.184 3.048 1.00 65.32 C ATOM 1339 CD1 TYR A 88 8.549 -2.896 3.074 1.00 30.22 C ATOM 1340 CD2 TYR A 88 10.287 -4.408 3.677 1.00 32.14 C ATOM 1341 CE1 TYR A 88 9.212 -1.870 3.709 1.00 24.33 C ATOM 1342 CE2 TYR A 88 10.962 -3.381 4.307 1.00 24.30 C ATOM 1343 CZ TYR A 88 10.419 -2.116 4.319 1.00 64.42 C ATOM 1344 OH TYR A 88 11.095 -1.088 4.936 1.00 14.33 O ATOM 0 H TYR A 88 7.512 -6.887 0.252 1.00 41.20 H new ATOM 0 HA TYR A 88 8.840 -4.259 0.522 1.00 64.24 H new ATOM 0 HB2 TYR A 88 7.260 -5.152 2.403 1.00 4.12 H new ATOM 0 HB3 TYR A 88 8.583 -6.254 2.730 1.00 4.12 H new ATOM 0 HD1 TYR A 88 7.606 -2.695 2.586 1.00 30.22 H new ATOM 0 HD2 TYR A 88 10.713 -5.400 3.673 1.00 32.14 H new ATOM 0 HE1 TYR A 88 8.786 -0.878 3.728 1.00 24.33 H new ATOM 0 HE2 TYR A 88 11.911 -3.569 4.788 1.00 24.30 H new ATOM 0 HH TYR A 88 11.930 -1.429 5.319 1.00 14.33 H new ATOM 1354 N GLY A 89 11.128 -5.463 0.801 1.00 2.44 N ATOM 1355 CA GLY A 89 12.362 -6.166 0.588 1.00 34.53 C ATOM 1356 C GLY A 89 13.086 -6.571 1.871 1.00 1.13 C ATOM 1357 O GLY A 89 12.602 -7.426 2.614 1.00 64.34 O ATOM 0 H GLY A 89 11.228 -4.495 1.106 1.00 2.44 H new ATOM 0 HA2 GLY A 89 12.159 -7.062 0.001 1.00 34.53 H new ATOM 0 HA3 GLY A 89 13.026 -5.539 -0.007 1.00 34.53 H new ATOM 1361 N SER A 90 14.182 -5.868 2.160 1.00 45.43 N ATOM 1362 CA SER A 90 15.192 -6.236 3.178 1.00 44.11 C ATOM 1363 C SER A 90 14.646 -6.662 4.568 1.00 72.13 C ATOM 1364 O SER A 90 15.129 -7.632 5.148 1.00 52.34 O ATOM 1365 CB SER A 90 16.154 -5.054 3.354 1.00 40.24 C ATOM 1366 OG SER A 90 16.650 -4.611 2.096 1.00 74.43 O ATOM 0 H SER A 90 14.407 -4.996 1.681 1.00 45.43 H new ATOM 0 HA SER A 90 15.680 -7.130 2.791 1.00 44.11 H new ATOM 0 HB2 SER A 90 15.641 -4.234 3.856 1.00 40.24 H new ATOM 0 HB3 SER A 90 16.986 -5.349 3.994 1.00 40.24 H new ATOM 0 HG SER A 90 17.501 -4.144 2.226 1.00 74.43 H new ATOM 1372 N GLN A 91 13.659 -5.969 5.091 1.00 74.23 N ATOM 1373 CA GLN A 91 13.186 -6.295 6.441 1.00 72.32 C ATOM 1374 C GLN A 91 11.877 -7.045 6.466 1.00 22.33 C ATOM 1375 O GLN A 91 11.452 -7.518 7.527 1.00 2.12 O ATOM 1376 CB GLN A 91 13.076 -5.052 7.317 1.00 30.42 C ATOM 1377 CG GLN A 91 14.397 -4.363 7.592 1.00 11.23 C ATOM 1378 CD GLN A 91 15.423 -5.236 8.303 1.00 55.04 C ATOM 1379 OE1 GLN A 91 14.973 -6.157 9.125 1.00 32.14 O flip ATOM 1380 NE2 GLN A 91 16.615 -5.064 8.119 1.00 34.23 N flip ATOM 0 H GLN A 91 13.174 -5.199 4.630 1.00 74.23 H new ATOM 0 HA GLN A 91 13.947 -6.961 6.847 1.00 72.32 H new ATOM 0 HB2 GLN A 91 12.403 -4.342 6.837 1.00 30.42 H new ATOM 0 HB3 GLN A 91 12.620 -5.331 8.267 1.00 30.42 H new ATOM 0 HG2 GLN A 91 14.820 -4.023 6.647 1.00 11.23 H new ATOM 0 HG3 GLN A 91 14.211 -3.475 8.196 1.00 11.23 H new ATOM 0 HE21 GLN A 91 16.932 -4.340 7.474 1.00 34.23 H new ATOM 0 HE22 GLN A 91 17.296 -5.644 8.610 1.00 34.23 H new ATOM 1389 N GLY A 92 11.240 -7.169 5.331 1.00 51.22 N ATOM 1390 CA GLY A 92 9.914 -7.727 5.319 1.00 62.33 C ATOM 1391 C GLY A 92 8.881 -6.688 5.763 1.00 73.55 C ATOM 1392 O GLY A 92 9.132 -5.875 6.662 1.00 23.34 O ATOM 0 H GLY A 92 11.609 -6.897 4.420 1.00 51.22 H new ATOM 0 HA2 GLY A 92 9.673 -8.080 4.317 1.00 62.33 H new ATOM 0 HA3 GLY A 92 9.873 -8.592 5.981 1.00 62.33 H new ATOM 1396 N ASN A 93 7.742 -6.692 5.121 1.00 24.15 N ATOM 1397 CA ASN A 93 6.650 -5.741 5.393 1.00 4.33 C ATOM 1398 C ASN A 93 6.105 -5.775 6.832 1.00 32.22 C ATOM 1399 O ASN A 93 5.365 -4.874 7.194 1.00 24.43 O ATOM 1400 CB ASN A 93 5.465 -5.989 4.459 1.00 53.30 C ATOM 1401 CG ASN A 93 4.673 -7.233 4.822 1.00 24.02 C ATOM 1402 OD1 ASN A 93 3.796 -7.202 5.666 1.00 55.42 O ATOM 1403 ND2 ASN A 93 4.926 -8.302 4.153 1.00 71.13 N ATOM 0 H ASN A 93 7.525 -7.359 4.380 1.00 24.15 H new ATOM 0 HA ASN A 93 7.106 -4.765 5.229 1.00 4.33 H new ATOM 0 HB2 ASN A 93 4.803 -5.124 4.484 1.00 53.30 H new ATOM 0 HB3 ASN A 93 5.829 -6.083 3.436 1.00 53.30 H new ATOM 0 HD21 ASN A 93 4.386 -9.150 4.324 1.00 71.13 H new ATOM 0 HD22 ASN A 93 5.666 -8.301 3.451 1.00 71.13 H new ATOM 1410 N SER A 94 6.524 -6.755 7.640 1.00 70.10 N ATOM 1411 CA SER A 94 5.878 -7.112 8.911 1.00 40.11 C ATOM 1412 C SER A 94 5.477 -5.891 9.774 1.00 24.45 C ATOM 1413 O SER A 94 4.311 -5.720 10.093 1.00 33.25 O ATOM 1414 CB SER A 94 6.858 -7.985 9.694 1.00 12.34 C ATOM 1415 OG SER A 94 7.459 -8.962 8.843 1.00 54.42 O ATOM 0 H SER A 94 7.336 -7.334 7.426 1.00 70.10 H new ATOM 0 HA SER A 94 4.949 -7.633 8.679 1.00 40.11 H new ATOM 0 HB2 SER A 94 7.631 -7.360 10.141 1.00 12.34 H new ATOM 0 HB3 SER A 94 6.336 -8.481 10.513 1.00 12.34 H new ATOM 0 HG SER A 94 8.084 -9.509 9.363 1.00 54.42 H new ATOM 1421 N ILE A 95 6.416 -5.049 10.131 1.00 63.53 N ATOM 1422 CA ILE A 95 6.080 -3.868 10.910 1.00 31.43 C ATOM 1423 C ILE A 95 5.509 -2.741 10.043 1.00 2.04 C ATOM 1424 O ILE A 95 4.514 -2.096 10.396 1.00 44.33 O ATOM 1425 CB ILE A 95 7.283 -3.363 11.734 1.00 23.23 C ATOM 1426 CG1 ILE A 95 7.781 -4.469 12.670 1.00 24.42 C ATOM 1427 CG2 ILE A 95 6.935 -2.103 12.530 1.00 4.12 C ATOM 1428 CD1 ILE A 95 6.694 -5.168 13.471 1.00 23.20 C ATOM 0 H ILE A 95 7.405 -5.150 9.903 1.00 63.53 H new ATOM 0 HA ILE A 95 5.299 -4.175 11.605 1.00 31.43 H new ATOM 0 HB ILE A 95 8.079 -3.099 11.037 1.00 23.23 H new ATOM 0 HG12 ILE A 95 8.312 -5.214 12.078 1.00 24.42 H new ATOM 0 HG13 ILE A 95 8.504 -4.040 13.364 1.00 24.42 H new ATOM 0 HG21 ILE A 95 7.807 -1.778 13.097 1.00 4.12 H new ATOM 0 HG22 ILE A 95 6.633 -1.311 11.844 1.00 4.12 H new ATOM 0 HG23 ILE A 95 6.117 -2.321 13.216 1.00 4.12 H new ATOM 0 HD11 ILE A 95 7.143 -5.934 14.103 1.00 23.20 H new ATOM 0 HD12 ILE A 95 6.177 -4.440 14.095 1.00 23.20 H new ATOM 0 HD13 ILE A 95 5.982 -5.633 12.789 1.00 23.20 H new ATOM 1440 N ARG A 96 6.123 -2.551 8.894 1.00 61.30 N ATOM 1441 CA ARG A 96 5.832 -1.432 8.013 1.00 41.21 C ATOM 1442 C ARG A 96 4.407 -1.442 7.485 1.00 3.20 C ATOM 1443 O ARG A 96 3.698 -0.449 7.618 1.00 51.33 O ATOM 1444 CB ARG A 96 6.837 -1.409 6.865 1.00 71.20 C ATOM 1445 CG ARG A 96 8.283 -1.267 7.332 1.00 64.15 C ATOM 1446 CD ARG A 96 8.523 0.074 8.017 1.00 63.24 C ATOM 1447 NE ARG A 96 8.323 1.204 7.100 1.00 72.52 N ATOM 1448 CZ ARG A 96 7.573 2.295 7.340 1.00 15.45 C ATOM 1449 NH1 ARG A 96 6.866 2.407 8.465 1.00 62.33 N ATOM 1450 NH2 ARG A 96 7.549 3.271 6.448 1.00 71.02 N ATOM 0 H ARG A 96 6.847 -3.175 8.538 1.00 61.30 H new ATOM 0 HA ARG A 96 5.926 -0.521 8.604 1.00 41.21 H new ATOM 0 HB2 ARG A 96 6.738 -2.327 6.286 1.00 71.20 H new ATOM 0 HB3 ARG A 96 6.596 -0.583 6.196 1.00 71.20 H new ATOM 0 HG2 ARG A 96 8.524 -2.076 8.021 1.00 64.15 H new ATOM 0 HG3 ARG A 96 8.953 -1.365 6.478 1.00 64.15 H new ATOM 0 HD2 ARG A 96 7.848 0.173 8.867 1.00 63.24 H new ATOM 0 HD3 ARG A 96 9.539 0.103 8.412 1.00 63.24 H new ATOM 0 HE ARG A 96 8.797 1.157 6.198 1.00 72.52 H new ATOM 0 HH11 ARG A 96 6.889 1.659 9.158 1.00 62.33 H new ATOM 0 HH12 ARG A 96 6.302 3.240 8.632 1.00 62.33 H new ATOM 0 HH21 ARG A 96 8.095 3.191 5.590 1.00 71.02 H new ATOM 0 HH22 ARG A 96 6.984 4.103 6.618 1.00 71.02 H new ATOM 1464 N SER A 97 3.985 -2.554 6.938 1.00 64.14 N ATOM 1465 CA SER A 97 2.667 -2.667 6.373 1.00 32.14 C ATOM 1466 C SER A 97 1.589 -2.636 7.429 1.00 53.14 C ATOM 1467 O SER A 97 0.534 -2.076 7.193 1.00 21.44 O ATOM 1468 CB SER A 97 2.562 -3.885 5.493 1.00 33.44 C ATOM 1469 OG SER A 97 3.458 -3.759 4.411 1.00 61.52 O ATOM 0 H SER A 97 4.545 -3.404 6.873 1.00 64.14 H new ATOM 0 HA SER A 97 2.504 -1.791 5.745 1.00 32.14 H new ATOM 0 HB2 SER A 97 2.791 -4.783 6.067 1.00 33.44 H new ATOM 0 HB3 SER A 97 1.542 -3.994 5.124 1.00 33.44 H new ATOM 0 HG SER A 97 3.623 -2.810 4.231 1.00 61.52 H new ATOM 1475 N SER A 98 1.865 -3.209 8.589 1.00 41.11 N ATOM 1476 CA SER A 98 0.923 -3.192 9.690 1.00 63.44 C ATOM 1477 C SER A 98 0.547 -1.746 10.051 1.00 5.32 C ATOM 1478 O SER A 98 -0.635 -1.408 10.179 1.00 64.31 O ATOM 1479 CB SER A 98 1.515 -3.951 10.885 1.00 43.11 C ATOM 1480 OG SER A 98 1.730 -5.311 10.538 1.00 53.02 O ATOM 0 H SER A 98 2.740 -3.694 8.791 1.00 41.11 H new ATOM 0 HA SER A 98 0.003 -3.697 9.395 1.00 63.44 H new ATOM 0 HB2 SER A 98 2.456 -3.491 11.188 1.00 43.11 H new ATOM 0 HB3 SER A 98 0.839 -3.887 11.738 1.00 43.11 H new ATOM 0 HG SER A 98 2.682 -5.456 10.357 1.00 53.02 H new ATOM 1486 N ALA A 99 1.553 -0.897 10.165 1.00 52.33 N ATOM 1487 CA ALA A 99 1.329 0.507 10.444 1.00 41.42 C ATOM 1488 C ALA A 99 0.712 1.220 9.237 1.00 24.22 C ATOM 1489 O ALA A 99 -0.217 2.009 9.388 1.00 73.24 O ATOM 1490 CB ALA A 99 2.617 1.185 10.881 1.00 72.50 C ATOM 0 H ALA A 99 2.534 -1.158 10.068 1.00 52.33 H new ATOM 0 HA ALA A 99 0.617 0.575 11.267 1.00 41.42 H new ATOM 0 HB1 ALA A 99 2.423 2.238 11.085 1.00 72.50 H new ATOM 0 HB2 ALA A 99 2.993 0.704 11.784 1.00 72.50 H new ATOM 0 HB3 ALA A 99 3.360 1.100 10.088 1.00 72.50 H new ATOM 1496 N LEU A 100 1.231 0.914 8.047 1.00 53.13 N ATOM 1497 CA LEU A 100 0.795 1.528 6.800 1.00 55.35 C ATOM 1498 C LEU A 100 -0.695 1.320 6.589 1.00 40.25 C ATOM 1499 O LEU A 100 -1.431 2.269 6.343 1.00 60.34 O ATOM 1500 CB LEU A 100 1.560 0.907 5.635 1.00 3.24 C ATOM 1501 CG LEU A 100 1.421 1.593 4.276 1.00 32.13 C ATOM 1502 CD1 LEU A 100 1.965 3.008 4.338 1.00 10.54 C ATOM 1503 CD2 LEU A 100 2.139 0.790 3.208 1.00 4.43 C ATOM 0 H LEU A 100 1.973 0.225 7.925 1.00 53.13 H new ATOM 0 HA LEU A 100 0.995 2.598 6.851 1.00 55.35 H new ATOM 0 HB2 LEU A 100 2.618 0.883 5.897 1.00 3.24 H new ATOM 0 HB3 LEU A 100 1.235 -0.128 5.528 1.00 3.24 H new ATOM 0 HG LEU A 100 0.363 1.645 4.017 1.00 32.13 H new ATOM 0 HD11 LEU A 100 1.858 3.482 3.362 1.00 10.54 H new ATOM 0 HD12 LEU A 100 1.409 3.579 5.082 1.00 10.54 H new ATOM 0 HD13 LEU A 100 3.019 2.981 4.615 1.00 10.54 H new ATOM 0 HD21 LEU A 100 2.033 1.289 2.245 1.00 4.43 H new ATOM 0 HD22 LEU A 100 3.196 0.711 3.461 1.00 4.43 H new ATOM 0 HD23 LEU A 100 1.705 -0.208 3.150 1.00 4.43 H new ATOM 1515 N ILE A 101 -1.123 0.081 6.737 1.00 22.44 N ATOM 1516 CA ILE A 101 -2.523 -0.303 6.561 1.00 61.24 C ATOM 1517 C ILE A 101 -3.418 0.453 7.543 1.00 55.55 C ATOM 1518 O ILE A 101 -4.480 0.954 7.152 1.00 71.52 O ATOM 1519 CB ILE A 101 -2.711 -1.850 6.718 1.00 25.44 C ATOM 1520 CG1 ILE A 101 -2.029 -2.617 5.566 1.00 24.13 C ATOM 1521 CG2 ILE A 101 -4.176 -2.250 6.842 1.00 72.54 C ATOM 1522 CD1 ILE A 101 -2.574 -2.314 4.181 1.00 53.34 C ATOM 0 H ILE A 101 -0.511 -0.697 6.984 1.00 22.44 H new ATOM 0 HA ILE A 101 -2.819 -0.032 5.547 1.00 61.24 H new ATOM 0 HB ILE A 101 -2.223 -2.128 7.652 1.00 25.44 H new ATOM 0 HG12 ILE A 101 -0.963 -2.389 5.578 1.00 24.13 H new ATOM 0 HG13 ILE A 101 -2.128 -3.686 5.753 1.00 24.13 H new ATOM 0 HG21 ILE A 101 -4.250 -3.332 6.948 1.00 72.54 H new ATOM 0 HG22 ILE A 101 -4.612 -1.769 7.718 1.00 72.54 H new ATOM 0 HG23 ILE A 101 -4.716 -1.936 5.949 1.00 72.54 H new ATOM 0 HD11 ILE A 101 -2.031 -2.901 3.440 1.00 53.34 H new ATOM 0 HD12 ILE A 101 -3.633 -2.571 4.142 1.00 53.34 H new ATOM 0 HD13 ILE A 101 -2.450 -1.253 3.965 1.00 53.34 H new ATOM 1534 N GLY A 102 -2.942 0.601 8.784 1.00 13.15 N ATOM 1535 CA GLY A 102 -3.687 1.320 9.809 1.00 75.02 C ATOM 1536 C GLY A 102 -3.970 2.749 9.409 1.00 72.24 C ATOM 1537 O GLY A 102 -5.067 3.283 9.646 1.00 61.43 O ATOM 0 H GLY A 102 -2.045 0.231 9.097 1.00 13.15 H new ATOM 0 HA2 GLY A 102 -4.628 0.805 10.001 1.00 75.02 H new ATOM 0 HA3 GLY A 102 -3.122 1.310 10.741 1.00 75.02 H new ATOM 1541 N ILE A 103 -2.997 3.347 8.779 1.00 30.51 N ATOM 1542 CA ILE A 103 -3.091 4.698 8.293 1.00 34.53 C ATOM 1543 C ILE A 103 -4.058 4.768 7.121 1.00 11.32 C ATOM 1544 O ILE A 103 -4.928 5.633 7.084 1.00 54.34 O ATOM 1545 CB ILE A 103 -1.694 5.196 7.860 1.00 63.03 C ATOM 1546 CG1 ILE A 103 -0.756 5.174 9.068 1.00 73.20 C ATOM 1547 CG2 ILE A 103 -1.770 6.600 7.243 1.00 60.13 C ATOM 1548 CD1 ILE A 103 0.694 5.321 8.718 1.00 45.41 C ATOM 0 H ILE A 103 -2.100 2.902 8.585 1.00 30.51 H new ATOM 0 HA ILE A 103 -3.465 5.338 9.092 1.00 34.53 H new ATOM 0 HB ILE A 103 -1.302 4.531 7.091 1.00 63.03 H new ATOM 0 HG12 ILE A 103 -1.038 5.977 9.748 1.00 73.20 H new ATOM 0 HG13 ILE A 103 -0.896 4.237 9.606 1.00 73.20 H new ATOM 0 HG21 ILE A 103 -0.771 6.923 6.948 1.00 60.13 H new ATOM 0 HG22 ILE A 103 -2.417 6.578 6.366 1.00 60.13 H new ATOM 0 HG23 ILE A 103 -2.175 7.298 7.976 1.00 60.13 H new ATOM 0 HD11 ILE A 103 1.292 5.296 9.629 1.00 45.41 H new ATOM 0 HD12 ILE A 103 0.995 4.503 8.063 1.00 45.41 H new ATOM 0 HD13 ILE A 103 0.851 6.271 8.207 1.00 45.41 H new ATOM 1560 N ILE A 104 -3.931 3.825 6.198 1.00 62.32 N ATOM 1561 CA ILE A 104 -4.747 3.816 4.991 1.00 72.43 C ATOM 1562 C ILE A 104 -6.229 3.675 5.327 1.00 35.15 C ATOM 1563 O ILE A 104 -7.043 4.506 4.915 1.00 14.02 O ATOM 1564 CB ILE A 104 -4.332 2.638 4.061 1.00 41.01 C ATOM 1565 CG1 ILE A 104 -2.864 2.776 3.659 1.00 71.34 C ATOM 1566 CG2 ILE A 104 -5.226 2.582 2.818 1.00 70.55 C ATOM 1567 CD1 ILE A 104 -2.316 1.583 2.900 1.00 13.43 C ATOM 0 H ILE A 104 -3.268 3.053 6.262 1.00 62.32 H new ATOM 0 HA ILE A 104 -4.584 4.766 4.482 1.00 72.43 H new ATOM 0 HB ILE A 104 -4.459 1.705 4.610 1.00 41.01 H new ATOM 0 HG12 ILE A 104 -2.749 3.669 3.044 1.00 71.34 H new ATOM 0 HG13 ILE A 104 -2.265 2.928 4.557 1.00 71.34 H new ATOM 0 HG21 ILE A 104 -4.916 1.751 2.184 1.00 70.55 H new ATOM 0 HG22 ILE A 104 -6.263 2.440 3.122 1.00 70.55 H new ATOM 0 HG23 ILE A 104 -5.136 3.515 2.262 1.00 70.55 H new ATOM 0 HD11 ILE A 104 -1.269 1.759 2.652 1.00 13.43 H new ATOM 0 HD12 ILE A 104 -2.396 0.690 3.519 1.00 13.43 H new ATOM 0 HD13 ILE A 104 -2.888 1.441 1.983 1.00 13.43 H new ATOM 1579 N GLU A 105 -6.562 2.680 6.132 1.00 43.03 N ATOM 1580 CA GLU A 105 -7.944 2.444 6.496 1.00 52.52 C ATOM 1581 C GLU A 105 -8.492 3.569 7.368 1.00 25.53 C ATOM 1582 O GLU A 105 -9.630 4.018 7.192 1.00 44.13 O ATOM 1583 CB GLU A 105 -8.135 1.065 7.142 1.00 32.23 C ATOM 1584 CG GLU A 105 -7.354 0.847 8.422 1.00 51.14 C ATOM 1585 CD GLU A 105 -7.556 -0.528 8.980 1.00 43.05 C ATOM 1586 OE1 GLU A 105 -8.534 -0.744 9.743 1.00 12.51 O ATOM 1587 OE2 GLU A 105 -6.773 -1.424 8.670 1.00 33.00 O ATOM 0 H GLU A 105 -5.895 2.026 6.543 1.00 43.03 H new ATOM 0 HA GLU A 105 -8.528 2.442 5.576 1.00 52.52 H new ATOM 0 HB2 GLU A 105 -9.195 0.922 7.351 1.00 32.23 H new ATOM 0 HB3 GLU A 105 -7.846 0.299 6.422 1.00 32.23 H new ATOM 0 HG2 GLU A 105 -6.293 1.007 8.230 1.00 51.14 H new ATOM 0 HG3 GLU A 105 -7.659 1.586 9.162 1.00 51.14 H new ATOM 1594 N GLY A 106 -7.659 4.052 8.274 1.00 5.15 N ATOM 1595 CA GLY A 106 -8.063 5.082 9.184 1.00 53.31 C ATOM 1596 C GLY A 106 -8.273 6.409 8.509 1.00 63.31 C ATOM 1597 O GLY A 106 -9.184 7.131 8.867 1.00 34.12 O ATOM 0 H GLY A 106 -6.696 3.738 8.390 1.00 5.15 H new ATOM 0 HA2 GLY A 106 -8.987 4.781 9.678 1.00 53.31 H new ATOM 0 HA3 GLY A 106 -7.306 5.191 9.961 1.00 53.31 H new ATOM 1601 N ASN A 107 -7.460 6.711 7.502 1.00 2.05 N ATOM 1602 CA ASN A 107 -7.566 7.984 6.763 1.00 2.22 C ATOM 1603 C ASN A 107 -8.895 8.049 6.049 1.00 52.03 C ATOM 1604 O ASN A 107 -9.550 9.092 6.012 1.00 41.44 O ATOM 1605 CB ASN A 107 -6.410 8.131 5.752 1.00 1.53 C ATOM 1606 CG ASN A 107 -6.472 9.416 4.921 1.00 12.14 C ATOM 1607 OD1 ASN A 107 -7.019 9.335 3.724 1.00 14.22 O flip ATOM 1608 ND2 ASN A 107 -5.987 10.462 5.337 1.00 41.33 N flip ATOM 0 H ASN A 107 -6.716 6.097 7.171 1.00 2.05 H new ATOM 0 HA ASN A 107 -7.499 8.806 7.475 1.00 2.22 H new ATOM 0 HB2 ASN A 107 -5.463 8.104 6.291 1.00 1.53 H new ATOM 0 HB3 ASN A 107 -6.418 7.274 5.079 1.00 1.53 H new ATOM 0 HD21 ASN A 107 -5.570 10.496 6.267 1.00 41.33 H new ATOM 0 HD22 ASN A 107 -6.000 11.298 4.753 1.00 41.33 H new ATOM 1615 N ILE A 108 -9.314 6.912 5.532 1.00 53.23 N ATOM 1616 CA ILE A 108 -10.597 6.791 4.877 1.00 74.20 C ATOM 1617 C ILE A 108 -11.702 7.056 5.893 1.00 4.55 C ATOM 1618 O ILE A 108 -12.646 7.785 5.621 1.00 52.11 O ATOM 1619 CB ILE A 108 -10.768 5.381 4.270 1.00 75.24 C ATOM 1620 CG1 ILE A 108 -9.649 5.120 3.260 1.00 45.14 C ATOM 1621 CG2 ILE A 108 -12.141 5.235 3.609 1.00 75.52 C ATOM 1622 CD1 ILE A 108 -9.593 3.705 2.754 1.00 13.11 C ATOM 0 H ILE A 108 -8.774 6.047 5.555 1.00 53.23 H new ATOM 0 HA ILE A 108 -10.655 7.520 4.069 1.00 74.20 H new ATOM 0 HB ILE A 108 -10.705 4.642 5.069 1.00 75.24 H new ATOM 0 HG12 ILE A 108 -9.776 5.793 2.412 1.00 45.14 H new ATOM 0 HG13 ILE A 108 -8.693 5.367 3.722 1.00 45.14 H new ATOM 0 HG21 ILE A 108 -12.238 4.234 3.189 1.00 75.52 H new ATOM 0 HG22 ILE A 108 -12.922 5.393 4.353 1.00 75.52 H new ATOM 0 HG23 ILE A 108 -12.242 5.974 2.814 1.00 75.52 H new ATOM 0 HD11 ILE A 108 -8.773 3.605 2.043 1.00 13.11 H new ATOM 0 HD12 ILE A 108 -9.433 3.025 3.591 1.00 13.11 H new ATOM 0 HD13 ILE A 108 -10.533 3.458 2.260 1.00 13.11 H new ATOM 1634 N ARG A 109 -11.543 6.490 7.076 1.00 10.13 N ATOM 1635 CA ARG A 109 -12.492 6.678 8.150 1.00 54.20 C ATOM 1636 C ARG A 109 -12.545 8.121 8.620 1.00 32.31 C ATOM 1637 O ARG A 109 -13.593 8.598 8.972 1.00 54.10 O ATOM 1638 CB ARG A 109 -12.219 5.733 9.311 1.00 42.10 C ATOM 1639 CG ARG A 109 -12.248 4.290 8.872 1.00 52.33 C ATOM 1640 CD ARG A 109 -12.259 3.305 10.022 1.00 25.25 C ATOM 1641 NE ARG A 109 -10.946 3.167 10.662 1.00 34.24 N ATOM 1642 CZ ARG A 109 -10.177 2.060 10.556 1.00 72.13 C ATOM 1643 NH1 ARG A 109 -10.535 1.062 9.744 1.00 44.43 N ATOM 1644 NH2 ARG A 109 -9.033 1.964 11.227 1.00 73.14 N ATOM 0 H ARG A 109 -10.754 5.890 7.315 1.00 10.13 H new ATOM 0 HA ARG A 109 -13.474 6.434 7.746 1.00 54.20 H new ATOM 0 HB2 ARG A 109 -11.246 5.962 9.746 1.00 42.10 H new ATOM 0 HB3 ARG A 109 -12.963 5.891 10.092 1.00 42.10 H new ATOM 0 HG2 ARG A 109 -13.131 4.125 8.255 1.00 52.33 H new ATOM 0 HG3 ARG A 109 -11.379 4.093 8.244 1.00 52.33 H new ATOM 0 HD2 ARG A 109 -12.988 3.628 10.765 1.00 25.25 H new ATOM 0 HD3 ARG A 109 -12.585 2.331 9.658 1.00 25.25 H new ATOM 0 HE ARG A 109 -10.595 3.948 11.216 1.00 34.24 H new ATOM 0 HH11 ARG A 109 -11.394 1.132 9.198 1.00 44.43 H new ATOM 0 HH12 ARG A 109 -9.949 0.230 9.670 1.00 44.43 H new ATOM 0 HH21 ARG A 109 -8.729 2.730 11.828 1.00 73.14 H new ATOM 0 HH22 ARG A 109 -8.460 1.125 11.140 1.00 73.14 H new ATOM 1658 N TYR A 110 -11.419 8.808 8.619 1.00 62.43 N ATOM 1659 CA TYR A 110 -11.409 10.211 9.018 1.00 61.22 C ATOM 1660 C TYR A 110 -12.103 11.067 7.965 1.00 32.21 C ATOM 1661 O TYR A 110 -12.836 11.979 8.296 1.00 14.13 O ATOM 1662 CB TYR A 110 -9.983 10.738 9.278 1.00 23.14 C ATOM 1663 CG TYR A 110 -9.213 9.981 10.345 1.00 23.15 C ATOM 1664 CD1 TYR A 110 -9.828 9.563 11.522 1.00 31.44 C ATOM 1665 CD2 TYR A 110 -7.873 9.659 10.161 1.00 53.25 C ATOM 1666 CE1 TYR A 110 -9.131 8.853 12.480 1.00 41.22 C ATOM 1667 CE2 TYR A 110 -7.172 8.945 11.111 1.00 22.32 C ATOM 1668 CZ TYR A 110 -7.804 8.545 12.267 1.00 15.21 C ATOM 1669 OH TYR A 110 -7.112 7.827 13.211 1.00 23.45 O ATOM 0 H TYR A 110 -10.510 8.430 8.352 1.00 62.43 H new ATOM 0 HA TYR A 110 -11.955 10.280 9.959 1.00 61.22 H new ATOM 0 HB2 TYR A 110 -9.420 10.698 8.346 1.00 23.14 H new ATOM 0 HB3 TYR A 110 -10.045 11.787 9.569 1.00 23.14 H new ATOM 0 HD1 TYR A 110 -10.869 9.798 11.689 1.00 31.44 H new ATOM 0 HD2 TYR A 110 -7.372 9.974 9.258 1.00 53.25 H new ATOM 0 HE1 TYR A 110 -9.622 8.541 13.390 1.00 41.22 H new ATOM 0 HE2 TYR A 110 -6.133 8.701 10.949 1.00 22.32 H new ATOM 0 HH TYR A 110 -6.189 7.693 12.909 1.00 23.45 H new ATOM 1679 N ALA A 111 -11.840 10.772 6.699 1.00 72.43 N ATOM 1680 CA ALA A 111 -12.466 11.496 5.599 1.00 61.34 C ATOM 1681 C ALA A 111 -13.978 11.230 5.513 1.00 73.42 C ATOM 1682 O ALA A 111 -14.775 12.146 5.380 1.00 23.11 O ATOM 1683 CB ALA A 111 -11.788 11.138 4.281 1.00 63.50 C ATOM 0 H ALA A 111 -11.197 10.036 6.407 1.00 72.43 H new ATOM 0 HA ALA A 111 -12.337 12.561 5.794 1.00 61.34 H new ATOM 0 HB1 ALA A 111 -12.264 11.685 3.467 1.00 63.50 H new ATOM 0 HB2 ALA A 111 -10.733 11.406 4.330 1.00 63.50 H new ATOM 0 HB3 ALA A 111 -11.882 10.067 4.103 1.00 63.50 H new ATOM 1689 N ASN A 112 -14.346 9.961 5.570 1.00 4.43 N ATOM 1690 CA ASN A 112 -15.742 9.533 5.424 1.00 10.04 C ATOM 1691 C ASN A 112 -16.552 9.757 6.703 1.00 31.10 C ATOM 1692 O ASN A 112 -17.744 10.056 6.650 1.00 73.52 O ATOM 1693 CB ASN A 112 -15.792 8.049 5.009 1.00 75.31 C ATOM 1694 CG ASN A 112 -17.198 7.532 4.725 1.00 42.21 C ATOM 1695 OD1 ASN A 112 -17.680 7.606 3.608 1.00 32.54 O ATOM 1696 ND2 ASN A 112 -17.847 6.984 5.718 1.00 4.24 N ATOM 0 H ASN A 112 -13.692 9.193 5.718 1.00 4.43 H new ATOM 0 HA ASN A 112 -16.197 10.146 4.646 1.00 10.04 H new ATOM 0 HB2 ASN A 112 -15.178 7.910 4.119 1.00 75.31 H new ATOM 0 HB3 ASN A 112 -15.347 7.446 5.800 1.00 75.31 H new ATOM 0 HD21 ASN A 112 -18.782 6.604 5.569 1.00 4.24 H new ATOM 0 HD22 ASN A 112 -17.419 6.936 6.642 1.00 4.24 H new