USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 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 108 THR OG1 : rot 180:sc= -0.0926 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= -0.189 USER MOD Set 2.3: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.979 USER MOD Set 3.2: A 61 THR OG1 : rot 98:sc= 1.25 USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 37 GLN : amide:sc= 0.163 K(o=1.1,f=-2.2) USER MOD Set 4.3: A 83 SER OG : rot 86:sc= 0.899 USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.388 USER MOD Single : A 12 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.0022) USER MOD Single : A 18 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 60:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00537 X(o=-0.0054,f=-0.085) USER MOD Single : A 28 SER OG : rot 180:sc= -0.098 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -166:sc= -0.328 (180deg=-0.588) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.95) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00407 X(o=-0.0041,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc=-0.00883 (180deg=-0.0541) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 ASN : amide:sc= 0.00482 K(o=0.0048,f=-2.5!) USER MOD Single : A 71 MET CE :methyl 136:sc= -0.147 (180deg=-0.4) USER MOD Single : A 75 SER OG : rot 14:sc= 0.754 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.735 (180deg=0.696) USER MOD Single : A 94 THR OG1 : rot -75:sc= 0.877 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -42:sc= 1.24 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Single : A 113 ASN : amide:sc= -0.0033 X(o=-0.0033,f=-0.29) USER MOD Single : A 114 GLN : amide:sc=-0.00399 X(o=-0.004,f=-0.31) USER MOD Single : A 118 ASN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 121 THR OG1 : rot 17:sc= 0.0946 USER MOD Single : A 122 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.71) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 126 MET CE :methyl 172:sc= 0 (180deg=-0.056) USER MOD Single : A 129 GLN : amide:sc= -0.0772 X(o=-0.077,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 14.525 3.131 4.383 1.00 73.34 N ATOM 83 CA THR A 8 13.085 2.906 4.427 1.00 50.22 C ATOM 84 C THR A 8 12.723 1.696 3.560 1.00 4.12 C ATOM 85 O THR A 8 13.487 1.338 2.659 1.00 63.24 O ATOM 86 CB THR A 8 12.350 4.136 3.848 1.00 34.22 C ATOM 87 OG1 THR A 8 13.092 4.799 2.841 1.00 3.30 O ATOM 88 CG2 THR A 8 11.996 5.140 4.932 1.00 75.55 C ATOM 0 HA THR A 8 12.791 2.735 5.463 1.00 50.22 H new ATOM 0 HB THR A 8 11.439 3.740 3.400 1.00 34.22 H new ATOM 0 HG1 THR A 8 14.049 4.729 3.040 1.00 3.30 H new ATOM 0 HG21 THR A 8 11.481 5.991 4.486 1.00 75.55 H new ATOM 0 HG22 THR A 8 11.346 4.667 5.668 1.00 75.55 H new ATOM 0 HG23 THR A 8 12.907 5.484 5.421 1.00 75.55 H new ATOM 96 N PRO A 9 11.530 1.111 3.743 1.00 53.10 N ATOM 97 CA PRO A 9 11.126 -0.018 2.930 1.00 22.44 C ATOM 98 C PRO A 9 10.875 0.453 1.493 1.00 1.24 C ATOM 99 O PRO A 9 11.305 -0.200 0.554 1.00 15.00 O ATOM 100 CB PRO A 9 9.880 -0.581 3.616 1.00 72.34 C ATOM 101 CG PRO A 9 9.279 0.635 4.309 1.00 2.41 C ATOM 102 CD PRO A 9 10.520 1.408 4.750 1.00 24.21 C ATOM 0 HA PRO A 9 11.884 -0.797 2.852 1.00 22.44 H new ATOM 0 HB2 PRO A 9 9.187 -1.017 2.896 1.00 72.34 H new ATOM 0 HB3 PRO A 9 10.134 -1.365 4.329 1.00 72.34 H new ATOM 0 HG2 PRO A 9 8.655 1.220 3.634 1.00 2.41 H new ATOM 0 HG3 PRO A 9 8.654 0.352 5.156 1.00 2.41 H new ATOM 0 HD2 PRO A 9 10.320 2.478 4.804 1.00 24.21 H new ATOM 0 HD3 PRO A 9 10.848 1.095 5.741 1.00 24.21 H new ATOM 110 N TRP A 10 10.283 1.639 1.317 1.00 35.41 N ATOM 111 CA TRP A 10 9.953 2.229 0.031 1.00 44.44 C ATOM 112 C TRP A 10 11.203 2.536 -0.797 1.00 34.14 C ATOM 113 O TRP A 10 11.094 2.652 -2.015 1.00 62.40 O ATOM 114 CB TRP A 10 9.145 3.520 0.249 1.00 5.04 C ATOM 115 CG TRP A 10 7.955 3.450 1.158 1.00 3.25 C ATOM 116 CD1 TRP A 10 7.970 3.623 2.500 1.00 24.34 C ATOM 117 CD2 TRP A 10 6.560 3.197 0.807 1.00 23.54 C ATOM 118 NE1 TRP A 10 6.705 3.408 3.003 1.00 4.14 N ATOM 119 CE2 TRP A 10 5.795 3.136 2.008 1.00 71.03 C ATOM 120 CE3 TRP A 10 5.869 2.988 -0.402 1.00 33.54 C ATOM 121 CZ2 TRP A 10 4.425 2.836 2.013 1.00 5.03 C ATOM 122 CZ3 TRP A 10 4.492 2.691 -0.414 1.00 71.13 C ATOM 123 CH2 TRP A 10 3.772 2.606 0.792 1.00 43.22 C ATOM 0 H TRP A 10 10.013 2.231 2.102 1.00 35.41 H new ATOM 0 HA TRP A 10 9.359 1.504 -0.525 1.00 44.44 H new ATOM 0 HB2 TRP A 10 9.823 4.278 0.641 1.00 5.04 H new ATOM 0 HB3 TRP A 10 8.803 3.871 -0.725 1.00 5.04 H new ATOM 0 HD1 TRP A 10 8.838 3.888 3.086 1.00 24.34 H new ATOM 0 HE1 TRP A 10 6.471 3.446 3.995 1.00 4.14 H new ATOM 0 HE3 TRP A 10 6.405 3.057 -1.337 1.00 33.54 H new ATOM 0 HZ2 TRP A 10 3.880 2.783 2.944 1.00 5.03 H new ATOM 0 HZ3 TRP A 10 3.986 2.528 -1.354 1.00 71.13 H new ATOM 0 HH2 TRP A 10 2.719 2.364 0.778 1.00 43.22 H new ATOM 134 N THR A 11 12.376 2.700 -0.171 1.00 65.22 N ATOM 135 CA THR A 11 13.599 2.991 -0.929 1.00 15.13 C ATOM 136 C THR A 11 14.399 1.719 -1.271 1.00 60.13 C ATOM 137 O THR A 11 15.460 1.830 -1.897 1.00 73.51 O ATOM 138 CB THR A 11 14.394 4.137 -0.265 1.00 14.14 C ATOM 139 OG1 THR A 11 15.135 4.859 -1.232 1.00 71.15 O ATOM 140 CG2 THR A 11 15.350 3.698 0.841 1.00 71.24 C ATOM 0 H THR A 11 12.503 2.638 0.839 1.00 65.22 H new ATOM 0 HA THR A 11 13.327 3.374 -1.913 1.00 15.13 H new ATOM 0 HB THR A 11 13.631 4.761 0.201 1.00 14.14 H new ATOM 0 HG1 THR A 11 15.630 5.581 -0.792 1.00 71.15 H new ATOM 0 HG21 THR A 11 15.863 4.570 1.246 1.00 71.24 H new ATOM 0 HG22 THR A 11 14.787 3.206 1.635 1.00 71.24 H new ATOM 0 HG23 THR A 11 16.084 3.003 0.433 1.00 71.24 H new ATOM 148 N ASN A 12 13.959 0.513 -0.882 1.00 60.45 N ATOM 149 CA ASN A 12 14.661 -0.741 -1.186 1.00 44.52 C ATOM 150 C ASN A 12 13.662 -1.706 -1.815 1.00 31.51 C ATOM 151 O ASN A 12 12.639 -1.983 -1.202 1.00 70.02 O ATOM 152 CB ASN A 12 15.281 -1.396 0.054 1.00 64.14 C ATOM 153 CG ASN A 12 16.631 -0.850 0.502 1.00 13.25 C ATOM 154 OD1 ASN A 12 17.261 -1.440 1.374 1.00 55.32 O ATOM 155 ND2 ASN A 12 17.129 0.238 -0.062 1.00 42.15 N ATOM 0 H ASN A 12 13.102 0.381 -0.345 1.00 60.45 H new ATOM 0 HA ASN A 12 15.481 -0.509 -1.865 1.00 44.52 H new ATOM 0 HB2 ASN A 12 14.579 -1.294 0.882 1.00 64.14 H new ATOM 0 HB3 ASN A 12 15.391 -2.463 -0.141 1.00 64.14 H new ATOM 0 HD21 ASN A 12 18.041 0.591 0.228 1.00 42.15 H new ATOM 0 HD22 ASN A 12 16.601 0.724 -0.786 1.00 42.15 H new ATOM 162 N PRO A 13 13.935 -2.271 -2.997 1.00 44.34 N ATOM 163 CA PRO A 13 13.011 -3.172 -3.667 1.00 43.34 C ATOM 164 C PRO A 13 12.784 -4.463 -2.888 1.00 74.32 C ATOM 165 O PRO A 13 11.629 -4.818 -2.682 1.00 23.12 O ATOM 166 CB PRO A 13 13.585 -3.384 -5.065 1.00 41.40 C ATOM 167 CG PRO A 13 15.078 -3.150 -4.861 1.00 22.52 C ATOM 168 CD PRO A 13 15.111 -2.052 -3.811 1.00 11.01 C ATOM 0 HA PRO A 13 12.009 -2.747 -3.731 1.00 43.34 H new ATOM 0 HB2 PRO A 13 13.381 -4.388 -5.437 1.00 41.40 H new ATOM 0 HB3 PRO A 13 13.161 -2.685 -5.786 1.00 41.40 H new ATOM 0 HG2 PRO A 13 15.585 -4.052 -4.518 1.00 22.52 H new ATOM 0 HG3 PRO A 13 15.568 -2.841 -5.784 1.00 22.52 H new ATOM 0 HD2 PRO A 13 16.020 -2.107 -3.212 1.00 11.01 H new ATOM 0 HD3 PRO A 13 15.092 -1.065 -4.273 1.00 11.01 H new ATOM 176 N GLY A 14 13.832 -5.131 -2.394 1.00 63.40 N ATOM 177 CA GLY A 14 13.664 -6.368 -1.636 1.00 4.24 C ATOM 178 C GLY A 14 12.853 -6.134 -0.357 1.00 32.11 C ATOM 179 O GLY A 14 12.093 -7.008 0.076 1.00 44.55 O ATOM 0 H GLY A 14 14.801 -4.834 -2.507 1.00 63.40 H new ATOM 0 HA2 GLY A 14 13.162 -7.111 -2.256 1.00 4.24 H new ATOM 0 HA3 GLY A 14 14.642 -6.775 -1.379 1.00 4.24 H new ATOM 183 N LEU A 15 13.019 -4.968 0.282 1.00 74.53 N ATOM 184 CA LEU A 15 12.290 -4.626 1.500 1.00 53.14 C ATOM 185 C LEU A 15 10.833 -4.345 1.124 1.00 25.32 C ATOM 186 O LEU A 15 9.929 -4.915 1.729 1.00 63.30 O ATOM 187 CB LEU A 15 12.934 -3.429 2.220 1.00 32.42 C ATOM 188 CG LEU A 15 12.741 -3.410 3.757 1.00 62.14 C ATOM 189 CD1 LEU A 15 11.372 -3.868 4.274 1.00 33.30 C ATOM 190 CD2 LEU A 15 13.807 -4.262 4.450 1.00 53.02 C ATOM 0 H LEU A 15 13.661 -4.241 -0.033 1.00 74.53 H new ATOM 0 HA LEU A 15 12.329 -5.460 2.201 1.00 53.14 H new ATOM 0 HB2 LEU A 15 14.002 -3.425 2.003 1.00 32.42 H new ATOM 0 HB3 LEU A 15 12.521 -2.509 1.805 1.00 32.42 H new ATOM 0 HG LEU A 15 12.828 -2.352 4.004 1.00 62.14 H new ATOM 0 HD11 LEU A 15 11.357 -3.811 5.362 1.00 33.30 H new ATOM 0 HD12 LEU A 15 10.594 -3.222 3.866 1.00 33.30 H new ATOM 0 HD13 LEU A 15 11.191 -4.896 3.962 1.00 33.30 H new ATOM 0 HD21 LEU A 15 13.651 -4.233 5.528 1.00 53.02 H new ATOM 0 HD22 LEU A 15 13.734 -5.292 4.100 1.00 53.02 H new ATOM 0 HD23 LEU A 15 14.796 -3.869 4.216 1.00 53.02 H new ATOM 202 N ALA A 16 10.599 -3.507 0.111 1.00 23.21 N ATOM 203 CA ALA A 16 9.271 -3.155 -0.369 1.00 24.22 C ATOM 204 C ALA A 16 8.510 -4.408 -0.800 1.00 65.30 C ATOM 205 O ALA A 16 7.318 -4.536 -0.537 1.00 55.14 O ATOM 206 CB ALA A 16 9.401 -2.187 -1.538 1.00 11.31 C ATOM 0 H ALA A 16 11.348 -3.047 -0.406 1.00 23.21 H new ATOM 0 HA ALA A 16 8.712 -2.678 0.436 1.00 24.22 H new ATOM 0 HB1 ALA A 16 8.409 -1.920 -1.901 1.00 11.31 H new ATOM 0 HB2 ALA A 16 9.921 -1.287 -1.209 1.00 11.31 H new ATOM 0 HB3 ALA A 16 9.966 -2.660 -2.341 1.00 11.31 H new ATOM 212 N GLU A 17 9.191 -5.352 -1.444 1.00 21.54 N ATOM 213 CA GLU A 17 8.595 -6.600 -1.880 1.00 0.33 C ATOM 214 C GLU A 17 8.153 -7.374 -0.640 1.00 11.24 C ATOM 215 O GLU A 17 7.056 -7.919 -0.619 1.00 44.43 O ATOM 216 CB GLU A 17 9.595 -7.376 -2.737 1.00 74.40 C ATOM 217 CG GLU A 17 9.016 -8.730 -3.149 1.00 42.23 C ATOM 218 CD GLU A 17 9.680 -9.218 -4.427 1.00 45.42 C ATOM 219 OE1 GLU A 17 9.151 -8.905 -5.518 1.00 13.04 O ATOM 220 OE2 GLU A 17 10.724 -9.903 -4.355 1.00 63.51 O ATOM 0 H GLU A 17 10.180 -5.266 -1.677 1.00 21.54 H new ATOM 0 HA GLU A 17 7.718 -6.426 -2.504 1.00 0.33 H new ATOM 0 HB2 GLU A 17 9.847 -6.797 -3.625 1.00 74.40 H new ATOM 0 HB3 GLU A 17 10.520 -7.525 -2.181 1.00 74.40 H new ATOM 0 HG2 GLU A 17 9.168 -9.457 -2.351 1.00 42.23 H new ATOM 0 HG3 GLU A 17 7.940 -8.643 -3.300 1.00 42.23 H new ATOM 227 N ASN A 18 8.973 -7.404 0.416 1.00 55.01 N ATOM 228 CA ASN A 18 8.621 -8.097 1.654 1.00 34.21 C ATOM 229 C ASN A 18 7.467 -7.374 2.352 1.00 41.01 C ATOM 230 O ASN A 18 6.656 -8.019 3.021 1.00 73.31 O ATOM 231 CB ASN A 18 9.837 -8.260 2.572 1.00 72.31 C ATOM 232 CG ASN A 18 10.626 -9.520 2.232 1.00 53.23 C ATOM 233 OD1 ASN A 18 10.765 -10.410 3.063 1.00 14.52 O ATOM 234 ND2 ASN A 18 11.186 -9.623 1.040 1.00 44.23 N ATOM 0 H ASN A 18 9.888 -6.954 0.435 1.00 55.01 H new ATOM 0 HA ASN A 18 8.285 -9.104 1.404 1.00 34.21 H new ATOM 0 HB2 ASN A 18 10.484 -7.388 2.480 1.00 72.31 H new ATOM 0 HB3 ASN A 18 9.508 -8.304 3.610 1.00 72.31 H new ATOM 0 HD21 ASN A 18 11.739 -10.448 0.806 1.00 44.23 H new ATOM 0 HD22 ASN A 18 11.066 -8.878 0.354 1.00 44.23 H new ATOM 241 N PHE A 19 7.371 -6.047 2.221 1.00 13.41 N ATOM 242 CA PHE A 19 6.295 -5.257 2.811 1.00 62.42 C ATOM 243 C PHE A 19 4.988 -5.681 2.149 1.00 43.21 C ATOM 244 O PHE A 19 3.994 -5.946 2.829 1.00 41.32 O ATOM 245 CB PHE A 19 6.525 -3.752 2.583 1.00 64.24 C ATOM 246 CG PHE A 19 5.390 -2.856 3.050 1.00 24.31 C ATOM 247 CD1 PHE A 19 4.913 -1.853 2.186 1.00 72.41 C ATOM 248 CD2 PHE A 19 4.776 -3.037 4.307 1.00 13.21 C ATOM 249 CE1 PHE A 19 3.852 -1.022 2.575 1.00 14.44 C ATOM 250 CE2 PHE A 19 3.701 -2.217 4.691 1.00 74.55 C ATOM 251 CZ PHE A 19 3.239 -1.215 3.822 1.00 12.23 C ATOM 0 H PHE A 19 8.046 -5.490 1.697 1.00 13.41 H new ATOM 0 HA PHE A 19 6.263 -5.430 3.887 1.00 62.42 H new ATOM 0 HB2 PHE A 19 7.438 -3.456 3.099 1.00 64.24 H new ATOM 0 HB3 PHE A 19 6.690 -3.581 1.519 1.00 64.24 H new ATOM 0 HD1 PHE A 19 5.368 -1.722 1.215 1.00 72.41 H new ATOM 0 HD2 PHE A 19 5.132 -3.807 4.975 1.00 13.21 H new ATOM 0 HE1 PHE A 19 3.509 -0.237 1.917 1.00 14.44 H new ATOM 0 HE2 PHE A 19 3.231 -2.357 5.653 1.00 74.55 H new ATOM 0 HZ PHE A 19 2.408 -0.590 4.115 1.00 12.23 H new ATOM 261 N LEU A 20 5.003 -5.729 0.817 1.00 30.51 N ATOM 262 CA LEU A 20 3.883 -6.115 -0.018 1.00 73.11 C ATOM 263 C LEU A 20 3.507 -7.555 0.288 1.00 75.35 C ATOM 264 O LEU A 20 2.358 -7.809 0.629 1.00 44.20 O ATOM 265 CB LEU A 20 4.256 -5.928 -1.496 1.00 33.13 C ATOM 266 CG LEU A 20 4.282 -4.447 -1.918 1.00 44.22 C ATOM 267 CD1 LEU A 20 5.075 -4.280 -3.218 1.00 74.33 C ATOM 268 CD2 LEU A 20 2.865 -3.878 -2.050 1.00 2.31 C ATOM 0 H LEU A 20 5.833 -5.489 0.275 1.00 30.51 H new ATOM 0 HA LEU A 20 3.018 -5.485 0.190 1.00 73.11 H new ATOM 0 HB2 LEU A 20 5.235 -6.371 -1.679 1.00 33.13 H new ATOM 0 HB3 LEU A 20 3.541 -6.467 -2.118 1.00 33.13 H new ATOM 0 HG LEU A 20 4.784 -3.877 -1.136 1.00 44.22 H new ATOM 0 HD11 LEU A 20 5.086 -3.229 -3.505 1.00 74.33 H new ATOM 0 HD12 LEU A 20 6.098 -4.625 -3.067 1.00 74.33 H new ATOM 0 HD13 LEU A 20 4.607 -4.867 -4.008 1.00 74.33 H new ATOM 0 HD21 LEU A 20 2.920 -2.831 -2.349 1.00 2.31 H new ATOM 0 HD22 LEU A 20 2.315 -4.442 -2.803 1.00 2.31 H new ATOM 0 HD23 LEU A 20 2.351 -3.955 -1.092 1.00 2.31 H new ATOM 280 N ASN A 21 4.473 -8.474 0.245 1.00 30.13 N ATOM 281 CA ASN A 21 4.264 -9.892 0.500 1.00 0.42 C ATOM 282 C ASN A 21 3.609 -10.120 1.855 1.00 74.21 C ATOM 283 O ASN A 21 2.560 -10.752 1.913 1.00 64.41 O ATOM 284 CB ASN A 21 5.592 -10.655 0.415 1.00 2.05 C ATOM 285 CG ASN A 21 5.342 -12.153 0.361 1.00 51.13 C ATOM 286 OD1 ASN A 21 4.832 -12.644 -0.643 1.00 64.21 O ATOM 287 ND2 ASN A 21 5.718 -12.902 1.377 1.00 64.02 N ATOM 0 H ASN A 21 5.442 -8.244 0.027 1.00 30.13 H new ATOM 0 HA ASN A 21 3.590 -10.272 -0.268 1.00 0.42 H new ATOM 0 HB2 ASN A 21 6.143 -10.340 -0.471 1.00 2.05 H new ATOM 0 HB3 ASN A 21 6.212 -10.415 1.278 1.00 2.05 H new ATOM 0 HD21 ASN A 21 5.588 -13.913 1.341 1.00 64.02 H new ATOM 0 HD22 ASN A 21 6.139 -12.471 2.200 1.00 64.02 H new ATOM 294 N SER A 22 4.161 -9.554 2.930 1.00 75.22 N ATOM 295 CA SER A 22 3.604 -9.723 4.262 1.00 43.23 C ATOM 296 C SER A 22 2.182 -9.172 4.321 1.00 5.14 C ATOM 297 O SER A 22 1.301 -9.830 4.874 1.00 44.51 O ATOM 298 CB SER A 22 4.513 -9.027 5.279 1.00 53.20 C ATOM 299 OG SER A 22 3.973 -9.067 6.588 1.00 20.33 O ATOM 0 H SER A 22 4.998 -8.972 2.897 1.00 75.22 H new ATOM 0 HA SER A 22 3.553 -10.784 4.505 1.00 43.23 H new ATOM 0 HB2 SER A 22 5.493 -9.505 5.276 1.00 53.20 H new ATOM 0 HB3 SER A 22 4.663 -7.990 4.980 1.00 53.20 H new ATOM 0 HG SER A 22 3.859 -10.000 6.866 1.00 20.33 H new ATOM 305 N PHE A 23 1.968 -7.957 3.811 1.00 0.25 N ATOM 306 CA PHE A 23 0.660 -7.326 3.823 1.00 43.23 C ATOM 307 C PHE A 23 -0.358 -8.191 3.096 1.00 43.41 C ATOM 308 O PHE A 23 -1.390 -8.515 3.675 1.00 44.13 O ATOM 309 CB PHE A 23 0.752 -5.927 3.191 1.00 52.00 C ATOM 310 CG PHE A 23 -0.585 -5.287 2.860 1.00 43.33 C ATOM 311 CD1 PHE A 23 -0.972 -5.131 1.515 1.00 64.12 C ATOM 312 CD2 PHE A 23 -1.455 -4.874 3.886 1.00 52.03 C ATOM 313 CE1 PHE A 23 -2.227 -4.585 1.196 1.00 32.35 C ATOM 314 CE2 PHE A 23 -2.710 -4.322 3.566 1.00 23.31 C ATOM 315 CZ PHE A 23 -3.099 -4.186 2.222 1.00 72.11 C ATOM 0 H PHE A 23 2.699 -7.390 3.381 1.00 0.25 H new ATOM 0 HA PHE A 23 0.325 -7.218 4.855 1.00 43.23 H new ATOM 0 HB2 PHE A 23 1.294 -5.271 3.872 1.00 52.00 H new ATOM 0 HB3 PHE A 23 1.342 -5.995 2.277 1.00 52.00 H new ATOM 0 HD1 PHE A 23 -0.301 -5.433 0.724 1.00 64.12 H new ATOM 0 HD2 PHE A 23 -1.160 -4.981 4.919 1.00 52.03 H new ATOM 0 HE1 PHE A 23 -2.521 -4.472 0.163 1.00 32.35 H new ATOM 0 HE2 PHE A 23 -3.375 -4.002 4.355 1.00 23.31 H new ATOM 0 HZ PHE A 23 -4.068 -3.775 1.979 1.00 72.11 H new ATOM 325 N LEU A 24 -0.067 -8.563 1.850 1.00 34.54 N ATOM 326 CA LEU A 24 -0.954 -9.361 1.018 1.00 45.24 C ATOM 327 C LEU A 24 -1.209 -10.741 1.596 1.00 20.30 C ATOM 328 O LEU A 24 -2.372 -11.074 1.787 1.00 72.21 O ATOM 329 CB LEU A 24 -0.404 -9.475 -0.415 1.00 14.13 C ATOM 330 CG LEU A 24 -0.360 -8.160 -1.216 1.00 11.43 C ATOM 331 CD1 LEU A 24 0.071 -8.451 -2.657 1.00 71.50 C ATOM 332 CD2 LEU A 24 -1.699 -7.418 -1.236 1.00 61.33 C ATOM 0 H LEU A 24 0.807 -8.312 1.387 1.00 34.54 H new ATOM 0 HA LEU A 24 -1.911 -8.840 0.992 1.00 45.24 H new ATOM 0 HB2 LEU A 24 0.605 -9.884 -0.367 1.00 14.13 H new ATOM 0 HB3 LEU A 24 -1.013 -10.194 -0.963 1.00 14.13 H new ATOM 0 HG LEU A 24 0.360 -7.513 -0.714 1.00 11.43 H new ATOM 0 HD11 LEU A 24 0.102 -7.520 -3.223 1.00 71.50 H new ATOM 0 HD12 LEU A 24 1.061 -8.908 -2.656 1.00 71.50 H new ATOM 0 HD13 LEU A 24 -0.642 -9.133 -3.119 1.00 71.50 H new ATOM 0 HD21 LEU A 24 -1.598 -6.501 -1.817 1.00 61.33 H new ATOM 0 HD22 LEU A 24 -2.460 -8.053 -1.690 1.00 61.33 H new ATOM 0 HD23 LEU A 24 -1.993 -7.171 -0.216 1.00 61.33 H new ATOM 344 N GLN A 25 -0.171 -11.509 1.937 1.00 51.32 N ATOM 345 CA GLN A 25 -0.324 -12.853 2.492 1.00 13.33 C ATOM 346 C GLN A 25 -1.121 -12.815 3.803 1.00 64.42 C ATOM 347 O GLN A 25 -1.808 -13.785 4.131 1.00 74.22 O ATOM 348 CB GLN A 25 1.051 -13.511 2.682 1.00 72.51 C ATOM 349 CG GLN A 25 1.811 -13.761 1.363 1.00 40.11 C ATOM 350 CD GLN A 25 1.213 -14.856 0.479 1.00 34.13 C ATOM 351 OE1 GLN A 25 0.788 -15.919 0.935 1.00 14.44 O ATOM 352 NE2 GLN A 25 1.151 -14.643 -0.822 1.00 24.31 N ATOM 0 H GLN A 25 0.800 -11.214 1.835 1.00 51.32 H new ATOM 0 HA GLN A 25 -0.890 -13.461 1.787 1.00 13.33 H new ATOM 0 HB2 GLN A 25 1.660 -12.877 3.327 1.00 72.51 H new ATOM 0 HB3 GLN A 25 0.920 -14.461 3.200 1.00 72.51 H new ATOM 0 HG2 GLN A 25 1.842 -12.831 0.795 1.00 40.11 H new ATOM 0 HG3 GLN A 25 2.842 -14.025 1.598 1.00 40.11 H new ATOM 0 HE21 GLN A 25 1.499 -13.767 -1.213 1.00 24.31 H new ATOM 0 HE22 GLN A 25 0.755 -15.354 -1.437 1.00 24.31 H new ATOM 361 N GLY A 26 -1.025 -11.719 4.562 1.00 23.13 N ATOM 362 CA GLY A 26 -1.756 -11.547 5.805 1.00 0.22 C ATOM 363 C GLY A 26 -3.213 -11.230 5.470 1.00 32.01 C ATOM 364 O GLY A 26 -4.133 -11.773 6.083 1.00 21.02 O ATOM 0 H GLY A 26 -0.431 -10.925 4.323 1.00 23.13 H new ATOM 0 HA2 GLY A 26 -1.694 -12.452 6.409 1.00 0.22 H new ATOM 0 HA3 GLY A 26 -1.318 -10.741 6.393 1.00 0.22 H new ATOM 368 N LEU A 27 -3.433 -10.360 4.479 1.00 61.13 N ATOM 369 CA LEU A 27 -4.742 -9.940 3.996 1.00 23.42 C ATOM 370 C LEU A 27 -5.544 -11.159 3.532 1.00 1.41 C ATOM 371 O LEU A 27 -6.721 -11.265 3.863 1.00 32.25 O ATOM 372 CB LEU A 27 -4.592 -8.923 2.852 1.00 13.13 C ATOM 373 CG LEU A 27 -5.663 -7.830 2.865 1.00 3.34 C ATOM 374 CD1 LEU A 27 -5.549 -7.006 1.583 1.00 63.12 C ATOM 375 CD2 LEU A 27 -7.071 -8.399 2.994 1.00 32.12 C ATOM 0 H LEU A 27 -2.668 -9.913 3.974 1.00 61.13 H new ATOM 0 HA LEU A 27 -5.280 -9.457 4.812 1.00 23.42 H new ATOM 0 HB2 LEU A 27 -3.608 -8.458 2.916 1.00 13.13 H new ATOM 0 HB3 LEU A 27 -4.634 -9.451 1.899 1.00 13.13 H new ATOM 0 HG LEU A 27 -5.492 -7.202 3.739 1.00 3.34 H new ATOM 0 HD11 LEU A 27 -6.309 -6.225 1.584 1.00 63.12 H new ATOM 0 HD12 LEU A 27 -4.560 -6.551 1.530 1.00 63.12 H new ATOM 0 HD13 LEU A 27 -5.697 -7.654 0.719 1.00 63.12 H new ATOM 0 HD21 LEU A 27 -7.794 -7.583 2.998 1.00 32.12 H new ATOM 0 HD22 LEU A 27 -7.275 -9.060 2.152 1.00 32.12 H new ATOM 0 HD23 LEU A 27 -7.152 -8.961 3.924 1.00 32.12 H new ATOM 387 N SER A 28 -4.917 -12.118 2.848 1.00 12.11 N ATOM 388 CA SER A 28 -5.596 -13.325 2.366 1.00 24.23 C ATOM 389 C SER A 28 -6.261 -14.129 3.506 1.00 15.01 C ATOM 390 O SER A 28 -7.095 -15.000 3.251 1.00 71.43 O ATOM 391 CB SER A 28 -4.628 -14.252 1.624 1.00 12.14 C ATOM 392 OG SER A 28 -3.522 -13.589 1.054 1.00 63.43 O ATOM 0 H SER A 28 -3.925 -12.081 2.612 1.00 12.11 H new ATOM 0 HA SER A 28 -6.372 -12.972 1.687 1.00 24.23 H new ATOM 0 HB2 SER A 28 -4.266 -15.012 2.317 1.00 12.14 H new ATOM 0 HB3 SER A 28 -5.172 -14.773 0.836 1.00 12.14 H new ATOM 0 HG SER A 28 -2.948 -14.241 0.600 1.00 63.43 H new ATOM 398 N SER A 29 -5.904 -13.871 4.767 1.00 53.15 N ATOM 399 CA SER A 29 -6.453 -14.539 5.939 1.00 42.14 C ATOM 400 C SER A 29 -7.311 -13.602 6.792 1.00 12.11 C ATOM 401 O SER A 29 -7.884 -14.034 7.792 1.00 22.42 O ATOM 402 CB SER A 29 -5.298 -15.131 6.744 1.00 22.51 C ATOM 403 OG SER A 29 -4.502 -15.927 5.886 1.00 44.44 O ATOM 0 H SER A 29 -5.203 -13.169 5.002 1.00 53.15 H new ATOM 0 HA SER A 29 -7.121 -15.336 5.613 1.00 42.14 H new ATOM 0 HB2 SER A 29 -4.698 -14.334 7.184 1.00 22.51 H new ATOM 0 HB3 SER A 29 -5.682 -15.733 7.568 1.00 22.51 H new ATOM 0 HG SER A 29 -3.756 -16.310 6.394 1.00 44.44 H new ATOM 409 N MET A 30 -7.400 -12.323 6.438 1.00 43.52 N ATOM 410 CA MET A 30 -8.165 -11.313 7.147 1.00 60.42 C ATOM 411 C MET A 30 -9.528 -11.142 6.467 1.00 12.35 C ATOM 412 O MET A 30 -9.667 -11.421 5.274 1.00 24.50 O ATOM 413 CB MET A 30 -7.357 -10.009 7.106 1.00 72.55 C ATOM 414 CG MET A 30 -6.099 -10.101 7.973 1.00 73.40 C ATOM 415 SD MET A 30 -6.358 -9.529 9.665 1.00 55.52 S ATOM 416 CE MET A 30 -6.008 -7.783 9.400 1.00 61.41 C ATOM 0 H MET A 30 -6.921 -11.952 5.617 1.00 43.52 H new ATOM 0 HA MET A 30 -8.342 -11.600 8.183 1.00 60.42 H new ATOM 0 HB2 MET A 30 -7.075 -9.787 6.077 1.00 72.55 H new ATOM 0 HB3 MET A 30 -7.979 -9.183 7.452 1.00 72.55 H new ATOM 0 HG2 MET A 30 -5.755 -11.135 7.995 1.00 73.40 H new ATOM 0 HG3 MET A 30 -5.306 -9.511 7.514 1.00 73.40 H new ATOM 0 HE1 MET A 30 -5.869 -7.290 10.362 1.00 61.41 H new ATOM 0 HE2 MET A 30 -5.100 -7.680 8.805 1.00 61.41 H new ATOM 0 HE3 MET A 30 -6.842 -7.321 8.872 1.00 61.41 H new ATOM 426 N PRO A 31 -10.559 -10.681 7.191 1.00 20.32 N ATOM 427 CA PRO A 31 -11.890 -10.466 6.645 1.00 53.34 C ATOM 428 C PRO A 31 -11.878 -9.205 5.777 1.00 71.11 C ATOM 429 O PRO A 31 -11.762 -8.097 6.302 1.00 22.11 O ATOM 430 CB PRO A 31 -12.796 -10.328 7.875 1.00 24.11 C ATOM 431 CG PRO A 31 -11.873 -9.732 8.937 1.00 72.13 C ATOM 432 CD PRO A 31 -10.515 -10.336 8.603 1.00 75.42 C ATOM 0 HA PRO A 31 -12.240 -11.273 6.002 1.00 53.34 H new ATOM 0 HB2 PRO A 31 -13.648 -9.678 7.674 1.00 24.11 H new ATOM 0 HB3 PRO A 31 -13.197 -11.292 8.188 1.00 24.11 H new ATOM 0 HG2 PRO A 31 -11.852 -8.643 8.886 1.00 72.13 H new ATOM 0 HG3 PRO A 31 -12.194 -9.998 9.944 1.00 72.13 H new ATOM 0 HD2 PRO A 31 -9.713 -9.626 8.805 1.00 75.42 H new ATOM 0 HD3 PRO A 31 -10.321 -11.218 9.213 1.00 75.42 H new ATOM 440 N GLY A 32 -11.936 -9.340 4.454 1.00 62.21 N ATOM 441 CA GLY A 32 -11.933 -8.205 3.545 1.00 63.04 C ATOM 442 C GLY A 32 -11.711 -8.685 2.123 1.00 5.21 C ATOM 443 O GLY A 32 -12.669 -9.090 1.467 1.00 53.11 O ATOM 0 H GLY A 32 -11.986 -10.244 3.985 1.00 62.21 H new ATOM 0 HA2 GLY A 32 -12.880 -7.670 3.614 1.00 63.04 H new ATOM 0 HA3 GLY A 32 -11.149 -7.503 3.828 1.00 63.04 H new ATOM 447 N PHE A 33 -10.481 -8.589 1.606 1.00 3.31 N ATOM 448 CA PHE A 33 -10.209 -9.048 0.238 1.00 41.53 C ATOM 449 C PHE A 33 -10.218 -10.582 0.221 1.00 63.32 C ATOM 450 O PHE A 33 -9.813 -11.208 1.204 1.00 21.12 O ATOM 451 CB PHE A 33 -8.871 -8.512 -0.306 1.00 24.32 C ATOM 452 CG PHE A 33 -8.782 -7.010 -0.531 1.00 12.42 C ATOM 453 CD1 PHE A 33 -8.765 -6.109 0.552 1.00 44.00 C ATOM 454 CD2 PHE A 33 -8.694 -6.495 -1.840 1.00 13.15 C ATOM 455 CE1 PHE A 33 -8.705 -4.728 0.324 1.00 32.11 C ATOM 456 CE2 PHE A 33 -8.645 -5.108 -2.062 1.00 25.20 C ATOM 457 CZ PHE A 33 -8.657 -4.218 -0.981 1.00 61.41 C ATOM 0 H PHE A 33 -9.674 -8.207 2.100 1.00 3.31 H new ATOM 0 HA PHE A 33 -10.989 -8.657 -0.415 1.00 41.53 H new ATOM 0 HB2 PHE A 33 -8.081 -8.800 0.387 1.00 24.32 H new ATOM 0 HB3 PHE A 33 -8.663 -9.012 -1.252 1.00 24.32 H new ATOM 0 HD1 PHE A 33 -8.798 -6.485 1.564 1.00 44.00 H new ATOM 0 HD2 PHE A 33 -8.664 -7.173 -2.680 1.00 13.15 H new ATOM 0 HE1 PHE A 33 -8.696 -4.048 1.163 1.00 32.11 H new ATOM 0 HE2 PHE A 33 -8.598 -4.727 -3.071 1.00 25.20 H new ATOM 0 HZ PHE A 33 -8.630 -3.152 -1.151 1.00 61.41 H new ATOM 467 N THR A 34 -10.682 -11.198 -0.864 1.00 15.43 N ATOM 468 CA THR A 34 -10.734 -12.650 -1.052 1.00 23.15 C ATOM 469 C THR A 34 -9.532 -13.062 -1.912 1.00 65.12 C ATOM 470 O THR A 34 -8.869 -12.180 -2.469 1.00 22.12 O ATOM 471 CB THR A 34 -12.081 -13.027 -1.684 1.00 52.34 C ATOM 472 OG1 THR A 34 -12.374 -12.156 -2.765 1.00 72.55 O ATOM 473 CG2 THR A 34 -13.173 -12.937 -0.609 1.00 53.54 C ATOM 0 H THR A 34 -11.046 -10.683 -1.666 1.00 15.43 H new ATOM 0 HA THR A 34 -10.668 -13.185 -0.105 1.00 23.15 H new ATOM 0 HB THR A 34 -12.036 -14.045 -2.072 1.00 52.34 H new ATOM 0 HG1 THR A 34 -13.234 -12.406 -3.162 1.00 72.55 H new ATOM 0 HG21 THR A 34 -14.136 -13.203 -1.045 1.00 53.54 H new ATOM 0 HG22 THR A 34 -12.941 -13.625 0.204 1.00 53.54 H new ATOM 0 HG23 THR A 34 -13.219 -11.919 -0.221 1.00 53.54 H new ATOM 481 N ALA A 35 -9.232 -14.363 -2.060 1.00 73.50 N ATOM 482 CA ALA A 35 -8.094 -14.798 -2.886 1.00 32.30 C ATOM 483 C ALA A 35 -8.224 -14.254 -4.311 1.00 71.42 C ATOM 484 O ALA A 35 -7.237 -13.818 -4.896 1.00 44.34 O ATOM 485 CB ALA A 35 -7.949 -16.315 -2.894 1.00 72.45 C ATOM 0 H ALA A 35 -9.754 -15.123 -1.624 1.00 73.50 H new ATOM 0 HA ALA A 35 -7.187 -14.389 -2.440 1.00 32.30 H new ATOM 0 HB1 ALA A 35 -7.098 -16.596 -3.515 1.00 72.45 H new ATOM 0 HB2 ALA A 35 -7.789 -16.671 -1.876 1.00 72.45 H new ATOM 0 HB3 ALA A 35 -8.856 -16.765 -3.297 1.00 72.45 H new ATOM 491 N SER A 36 -9.459 -14.202 -4.816 1.00 23.23 N ATOM 492 CA SER A 36 -9.812 -13.690 -6.127 1.00 1.22 C ATOM 493 C SER A 36 -9.208 -12.291 -6.290 1.00 50.42 C ATOM 494 O SER A 36 -8.581 -11.982 -7.301 1.00 34.34 O ATOM 495 CB SER A 36 -11.349 -13.669 -6.180 1.00 3.43 C ATOM 496 OG SER A 36 -11.882 -13.252 -7.417 1.00 22.41 O ATOM 0 H SER A 36 -10.270 -14.532 -4.293 1.00 23.23 H new ATOM 0 HA SER A 36 -9.426 -14.303 -6.941 1.00 1.22 H new ATOM 0 HB2 SER A 36 -11.722 -14.668 -5.955 1.00 3.43 H new ATOM 0 HB3 SER A 36 -11.719 -13.007 -5.397 1.00 3.43 H new ATOM 0 HG SER A 36 -12.861 -13.267 -7.373 1.00 22.41 H new ATOM 502 N GLN A 37 -9.427 -11.428 -5.295 1.00 44.41 N ATOM 503 CA GLN A 37 -8.925 -10.067 -5.279 1.00 15.54 C ATOM 504 C GLN A 37 -7.429 -10.016 -4.931 1.00 72.40 C ATOM 505 O GLN A 37 -6.737 -9.132 -5.433 1.00 64.33 O ATOM 506 CB GLN A 37 -9.839 -9.191 -4.412 1.00 50.33 C ATOM 507 CG GLN A 37 -11.303 -9.151 -4.910 1.00 41.05 C ATOM 508 CD GLN A 37 -11.443 -8.689 -6.369 1.00 32.24 C ATOM 509 OE1 GLN A 37 -11.612 -7.506 -6.645 1.00 53.03 O ATOM 510 NE2 GLN A 37 -11.379 -9.606 -7.325 1.00 4.43 N ATOM 0 H GLN A 37 -9.970 -11.668 -4.465 1.00 44.41 H new ATOM 0 HA GLN A 37 -8.966 -9.638 -6.280 1.00 15.54 H new ATOM 0 HB2 GLN A 37 -9.821 -9.563 -3.388 1.00 50.33 H new ATOM 0 HB3 GLN A 37 -9.443 -8.176 -4.390 1.00 50.33 H new ATOM 0 HG2 GLN A 37 -11.740 -10.144 -4.808 1.00 41.05 H new ATOM 0 HG3 GLN A 37 -11.878 -8.483 -4.269 1.00 41.05 H new ATOM 0 HE21 GLN A 37 -11.238 -10.587 -7.082 1.00 4.43 H new ATOM 0 HE22 GLN A 37 -11.471 -9.331 -8.303 1.00 4.43 H new ATOM 519 N LEU A 38 -6.887 -10.909 -4.086 1.00 52.41 N ATOM 520 CA LEU A 38 -5.453 -10.892 -3.790 1.00 10.23 C ATOM 521 C LEU A 38 -4.644 -11.175 -5.059 1.00 41.52 C ATOM 522 O LEU A 38 -3.521 -10.675 -5.176 1.00 40.44 O ATOM 523 CB LEU A 38 -5.075 -11.933 -2.721 1.00 62.45 C ATOM 524 CG LEU A 38 -5.034 -11.442 -1.269 1.00 1.23 C ATOM 525 CD1 LEU A 38 -4.202 -10.166 -1.113 1.00 55.34 C ATOM 526 CD2 LEU A 38 -6.419 -11.272 -0.649 1.00 12.05 C ATOM 0 H LEU A 38 -7.413 -11.638 -3.605 1.00 52.41 H new ATOM 0 HA LEU A 38 -5.219 -9.899 -3.407 1.00 10.23 H new ATOM 0 HB2 LEU A 38 -5.786 -12.757 -2.782 1.00 62.45 H new ATOM 0 HB3 LEU A 38 -4.095 -12.338 -2.972 1.00 62.45 H new ATOM 0 HG LEU A 38 -4.538 -12.236 -0.711 1.00 1.23 H new ATOM 0 HD11 LEU A 38 -4.202 -9.857 -0.068 1.00 55.34 H new ATOM 0 HD12 LEU A 38 -3.178 -10.358 -1.434 1.00 55.34 H new ATOM 0 HD13 LEU A 38 -4.632 -9.374 -1.726 1.00 55.34 H new ATOM 0 HD21 LEU A 38 -6.317 -10.923 0.378 1.00 12.05 H new ATOM 0 HD22 LEU A 38 -6.989 -10.543 -1.225 1.00 12.05 H new ATOM 0 HD23 LEU A 38 -6.941 -12.229 -0.657 1.00 12.05 H new ATOM 538 N ASP A 39 -5.197 -11.940 -6.005 1.00 42.42 N ATOM 539 CA ASP A 39 -4.532 -12.256 -7.273 1.00 3.41 C ATOM 540 C ASP A 39 -4.449 -10.983 -8.128 1.00 3.55 C ATOM 541 O ASP A 39 -3.599 -10.869 -9.010 1.00 55.02 O ATOM 542 CB ASP A 39 -5.254 -13.397 -8.010 1.00 12.11 C ATOM 543 CG ASP A 39 -4.865 -14.794 -7.516 1.00 11.34 C ATOM 544 OD1 ASP A 39 -5.293 -15.797 -8.133 1.00 73.12 O ATOM 545 OD2 ASP A 39 -4.164 -14.948 -6.490 1.00 1.42 O ATOM 0 H ASP A 39 -6.122 -12.359 -5.913 1.00 42.42 H new ATOM 0 HA ASP A 39 -3.520 -12.609 -7.074 1.00 3.41 H new ATOM 0 HB2 ASP A 39 -6.330 -13.268 -7.895 1.00 12.11 H new ATOM 0 HB3 ASP A 39 -5.036 -13.324 -9.075 1.00 12.11 H new ATOM 550 N ASP A 40 -5.334 -10.010 -7.887 1.00 74.12 N ATOM 551 CA ASP A 40 -5.345 -8.727 -8.586 1.00 54.23 C ATOM 552 C ASP A 40 -4.290 -7.839 -7.935 1.00 32.14 C ATOM 553 O ASP A 40 -3.473 -7.212 -8.613 1.00 63.33 O ATOM 554 CB ASP A 40 -6.733 -8.074 -8.577 1.00 45.45 C ATOM 555 CG ASP A 40 -7.445 -8.364 -9.889 1.00 31.34 C ATOM 556 OD1 ASP A 40 -8.068 -9.439 -10.027 1.00 41.32 O ATOM 557 OD2 ASP A 40 -7.356 -7.531 -10.817 1.00 13.12 O ATOM 0 H ASP A 40 -6.073 -10.096 -7.189 1.00 74.12 H new ATOM 0 HA ASP A 40 -5.108 -8.877 -9.639 1.00 54.23 H new ATOM 0 HB2 ASP A 40 -7.320 -8.456 -7.742 1.00 45.45 H new ATOM 0 HB3 ASP A 40 -6.638 -6.998 -8.434 1.00 45.45 H new ATOM 562 N LEU A 41 -4.271 -7.820 -6.597 1.00 24.34 N ATOM 563 CA LEU A 41 -3.309 -7.049 -5.810 1.00 70.52 C ATOM 564 C LEU A 41 -1.882 -7.461 -6.165 1.00 13.03 C ATOM 565 O LEU A 41 -0.970 -6.642 -6.081 1.00 53.51 O ATOM 566 CB LEU A 41 -3.513 -7.272 -4.301 1.00 33.53 C ATOM 567 CG LEU A 41 -4.259 -6.171 -3.538 1.00 13.31 C ATOM 568 CD1 LEU A 41 -3.497 -4.839 -3.555 1.00 31.53 C ATOM 569 CD2 LEU A 41 -5.681 -5.995 -4.067 1.00 62.44 C ATOM 0 H LEU A 41 -4.932 -8.347 -6.026 1.00 24.34 H new ATOM 0 HA LEU A 41 -3.470 -5.997 -6.045 1.00 70.52 H new ATOM 0 HB2 LEU A 41 -4.055 -8.208 -4.165 1.00 33.53 H new ATOM 0 HB3 LEU A 41 -2.534 -7.402 -3.841 1.00 33.53 H new ATOM 0 HG LEU A 41 -4.322 -6.493 -2.499 1.00 13.31 H new ATOM 0 HD11 LEU A 41 -4.063 -4.089 -3.003 1.00 31.53 H new ATOM 0 HD12 LEU A 41 -2.521 -4.972 -3.089 1.00 31.53 H new ATOM 0 HD13 LEU A 41 -3.365 -4.508 -4.585 1.00 31.53 H new ATOM 0 HD21 LEU A 41 -6.183 -5.207 -3.505 1.00 62.44 H new ATOM 0 HD22 LEU A 41 -5.646 -5.723 -5.122 1.00 62.44 H new ATOM 0 HD23 LEU A 41 -6.230 -6.929 -3.952 1.00 62.44 H new ATOM 581 N SER A 42 -1.702 -8.725 -6.541 1.00 74.22 N ATOM 582 CA SER A 42 -0.447 -9.329 -6.925 1.00 32.22 C ATOM 583 C SER A 42 0.269 -8.467 -7.976 1.00 54.22 C ATOM 584 O SER A 42 1.416 -8.064 -7.764 1.00 11.10 O ATOM 585 CB SER A 42 -0.774 -10.739 -7.432 1.00 41.10 C ATOM 586 OG SER A 42 0.350 -11.582 -7.446 1.00 24.04 O ATOM 0 H SER A 42 -2.478 -9.385 -6.585 1.00 74.22 H new ATOM 0 HA SER A 42 0.244 -9.396 -6.085 1.00 32.22 H new ATOM 0 HB2 SER A 42 -1.545 -11.179 -6.800 1.00 41.10 H new ATOM 0 HB3 SER A 42 -1.186 -10.673 -8.439 1.00 41.10 H new ATOM 0 HG SER A 42 0.090 -12.468 -7.775 1.00 24.04 H new ATOM 592 N THR A 43 -0.401 -8.153 -9.088 1.00 34.32 N ATOM 593 CA THR A 43 0.160 -7.347 -10.165 1.00 53.24 C ATOM 594 C THR A 43 0.401 -5.904 -9.710 1.00 42.23 C ATOM 595 O THR A 43 1.400 -5.293 -10.087 1.00 61.10 O ATOM 596 CB THR A 43 -0.816 -7.377 -11.349 1.00 13.43 C ATOM 597 OG1 THR A 43 -1.145 -8.710 -11.674 1.00 72.12 O ATOM 598 CG2 THR A 43 -0.237 -6.706 -12.594 1.00 51.13 C ATOM 0 H THR A 43 -1.359 -8.457 -9.264 1.00 34.32 H new ATOM 0 HA THR A 43 1.125 -7.760 -10.460 1.00 53.24 H new ATOM 0 HB THR A 43 -1.703 -6.825 -11.039 1.00 13.43 H new ATOM 0 HG1 THR A 43 -1.769 -8.718 -12.429 1.00 72.12 H new ATOM 0 HG21 THR A 43 -0.965 -6.753 -13.404 1.00 51.13 H new ATOM 0 HG22 THR A 43 -0.007 -5.664 -12.372 1.00 51.13 H new ATOM 0 HG23 THR A 43 0.675 -7.222 -12.895 1.00 51.13 H new ATOM 606 N ILE A 44 -0.507 -5.351 -8.902 1.00 42.14 N ATOM 607 CA ILE A 44 -0.402 -3.983 -8.403 1.00 22.14 C ATOM 608 C ILE A 44 0.914 -3.862 -7.629 1.00 62.51 C ATOM 609 O ILE A 44 1.728 -2.981 -7.897 1.00 4.31 O ATOM 610 CB ILE A 44 -1.676 -3.624 -7.596 1.00 25.11 C ATOM 611 CG1 ILE A 44 -2.903 -3.726 -8.535 1.00 62.14 C ATOM 612 CG2 ILE A 44 -1.575 -2.220 -6.972 1.00 44.42 C ATOM 613 CD1 ILE A 44 -4.262 -3.546 -7.869 1.00 73.50 C ATOM 0 H ILE A 44 -1.338 -5.844 -8.576 1.00 42.14 H new ATOM 0 HA ILE A 44 -0.362 -3.247 -9.206 1.00 22.14 H new ATOM 0 HB ILE A 44 -1.785 -4.327 -6.770 1.00 25.11 H new ATOM 0 HG12 ILE A 44 -2.801 -2.975 -9.319 1.00 62.14 H new ATOM 0 HG13 ILE A 44 -2.884 -4.701 -9.023 1.00 62.14 H new ATOM 0 HG21 ILE A 44 -2.486 -2.003 -6.414 1.00 44.42 H new ATOM 0 HG22 ILE A 44 -0.719 -2.182 -6.298 1.00 44.42 H new ATOM 0 HG23 ILE A 44 -1.448 -1.479 -7.761 1.00 44.42 H new ATOM 0 HD11 ILE A 44 -5.049 -3.637 -8.618 1.00 73.50 H new ATOM 0 HD12 ILE A 44 -4.397 -4.312 -7.106 1.00 73.50 H new ATOM 0 HD13 ILE A 44 -4.313 -2.560 -7.407 1.00 73.50 H new ATOM 625 N ALA A 45 1.146 -4.782 -6.694 1.00 10.23 N ATOM 626 CA ALA A 45 2.343 -4.826 -5.877 1.00 13.04 C ATOM 627 C ALA A 45 3.603 -4.886 -6.749 1.00 54.10 C ATOM 628 O ALA A 45 4.567 -4.160 -6.489 1.00 13.22 O ATOM 629 CB ALA A 45 2.218 -6.049 -4.962 1.00 73.34 C ATOM 0 H ALA A 45 0.487 -5.532 -6.484 1.00 10.23 H new ATOM 0 HA ALA A 45 2.439 -3.921 -5.277 1.00 13.04 H new ATOM 0 HB1 ALA A 45 3.101 -6.120 -4.327 1.00 73.34 H new ATOM 0 HB2 ALA A 45 1.330 -5.947 -4.338 1.00 73.34 H new ATOM 0 HB3 ALA A 45 2.134 -6.950 -5.569 1.00 73.34 H new ATOM 635 N GLN A 46 3.596 -5.721 -7.793 1.00 31.31 N ATOM 636 CA GLN A 46 4.715 -5.877 -8.705 1.00 22.42 C ATOM 637 C GLN A 46 5.078 -4.551 -9.380 1.00 73.33 C ATOM 638 O GLN A 46 6.264 -4.261 -9.553 1.00 42.55 O ATOM 639 CB GLN A 46 4.370 -6.931 -9.757 1.00 60.25 C ATOM 640 CG GLN A 46 4.396 -8.352 -9.193 1.00 50.45 C ATOM 641 CD GLN A 46 5.787 -8.971 -9.231 1.00 41.14 C ATOM 642 OE1 GLN A 46 6.693 -8.528 -8.528 1.00 62.21 O ATOM 643 NE2 GLN A 46 5.990 -10.007 -10.027 1.00 61.14 N ATOM 0 H GLN A 46 2.798 -6.312 -8.025 1.00 31.31 H new ATOM 0 HA GLN A 46 5.584 -6.202 -8.132 1.00 22.42 H new ATOM 0 HB2 GLN A 46 3.380 -6.723 -10.164 1.00 60.25 H new ATOM 0 HB3 GLN A 46 5.076 -6.859 -10.584 1.00 60.25 H new ATOM 0 HG2 GLN A 46 4.037 -8.337 -8.164 1.00 50.45 H new ATOM 0 HG3 GLN A 46 3.708 -8.978 -9.762 1.00 50.45 H new ATOM 0 HE21 GLN A 46 5.228 -10.363 -10.604 1.00 61.14 H new ATOM 0 HE22 GLN A 46 6.908 -10.450 -10.064 1.00 61.14 H new ATOM 652 N SER A 47 4.086 -3.741 -9.759 1.00 52.42 N ATOM 653 CA SER A 47 4.302 -2.459 -10.417 1.00 3.12 C ATOM 654 C SER A 47 5.103 -1.513 -9.520 1.00 14.20 C ATOM 655 O SER A 47 6.051 -0.859 -9.970 1.00 25.23 O ATOM 656 CB SER A 47 2.946 -1.850 -10.799 1.00 35.22 C ATOM 657 OG SER A 47 3.158 -0.708 -11.604 1.00 23.14 O ATOM 0 H SER A 47 3.101 -3.963 -9.614 1.00 52.42 H new ATOM 0 HA SER A 47 4.886 -2.614 -11.324 1.00 3.12 H new ATOM 0 HB2 SER A 47 2.344 -2.582 -11.337 1.00 35.22 H new ATOM 0 HB3 SER A 47 2.390 -1.579 -9.901 1.00 35.22 H new ATOM 0 HG SER A 47 2.294 -0.317 -11.851 1.00 23.14 H new ATOM 663 N LEU A 48 4.752 -1.453 -8.234 1.00 34.22 N ATOM 664 CA LEU A 48 5.429 -0.581 -7.290 1.00 43.45 C ATOM 665 C LEU A 48 6.890 -1.012 -7.122 1.00 1.12 C ATOM 666 O LEU A 48 7.772 -0.150 -7.096 1.00 10.30 O ATOM 667 CB LEU A 48 4.652 -0.491 -5.968 1.00 31.42 C ATOM 668 CG LEU A 48 3.419 0.435 -6.056 1.00 5.22 C ATOM 669 CD1 LEU A 48 2.206 -0.152 -6.779 1.00 63.12 C ATOM 670 CD2 LEU A 48 2.941 0.842 -4.666 1.00 24.11 C ATOM 0 H LEU A 48 3.997 -2.004 -7.827 1.00 34.22 H new ATOM 0 HA LEU A 48 5.452 0.435 -7.685 1.00 43.45 H new ATOM 0 HB2 LEU A 48 4.329 -1.490 -5.674 1.00 31.42 H new ATOM 0 HB3 LEU A 48 5.318 -0.127 -5.185 1.00 31.42 H new ATOM 0 HG LEU A 48 3.783 1.280 -6.640 1.00 5.22 H new ATOM 0 HD11 LEU A 48 1.397 0.579 -6.784 1.00 63.12 H new ATOM 0 HD12 LEU A 48 2.479 -0.399 -7.805 1.00 63.12 H new ATOM 0 HD13 LEU A 48 1.877 -1.054 -6.264 1.00 63.12 H new ATOM 0 HD21 LEU A 48 2.072 1.494 -4.756 1.00 24.11 H new ATOM 0 HD22 LEU A 48 2.669 -0.049 -4.099 1.00 24.11 H new ATOM 0 HD23 LEU A 48 3.740 1.372 -4.147 1.00 24.11 H new ATOM 682 N VAL A 49 7.180 -2.316 -7.024 1.00 20.31 N ATOM 683 CA VAL A 49 8.560 -2.801 -6.884 1.00 73.42 C ATOM 684 C VAL A 49 9.363 -2.417 -8.141 1.00 11.12 C ATOM 685 O VAL A 49 10.507 -1.971 -8.021 1.00 23.52 O ATOM 686 CB VAL A 49 8.579 -4.321 -6.601 1.00 25.30 C ATOM 687 CG1 VAL A 49 10.007 -4.867 -6.472 1.00 52.02 C ATOM 688 CG2 VAL A 49 7.852 -4.651 -5.289 1.00 54.44 C ATOM 0 H VAL A 49 6.477 -3.055 -7.039 1.00 20.31 H new ATOM 0 HA VAL A 49 9.037 -2.326 -6.027 1.00 73.42 H new ATOM 0 HB VAL A 49 8.078 -4.785 -7.451 1.00 25.30 H new ATOM 0 HG11 VAL A 49 9.970 -5.938 -6.274 1.00 52.02 H new ATOM 0 HG12 VAL A 49 10.550 -4.688 -7.400 1.00 52.02 H new ATOM 0 HG13 VAL A 49 10.516 -4.363 -5.651 1.00 52.02 H new ATOM 0 HG21 VAL A 49 7.882 -5.727 -5.117 1.00 54.44 H new ATOM 0 HG22 VAL A 49 8.343 -4.138 -4.462 1.00 54.44 H new ATOM 0 HG23 VAL A 49 6.815 -4.323 -5.355 1.00 54.44 H new ATOM 698 N GLN A 50 8.746 -2.510 -9.327 1.00 10.22 N ATOM 699 CA GLN A 50 9.343 -2.178 -10.620 1.00 43.42 C ATOM 700 C GLN A 50 9.944 -0.765 -10.586 1.00 73.25 C ATOM 701 O GLN A 50 11.029 -0.531 -11.131 1.00 33.34 O ATOM 702 CB GLN A 50 8.257 -2.276 -11.718 1.00 24.25 C ATOM 703 CG GLN A 50 8.633 -3.112 -12.945 1.00 22.13 C ATOM 704 CD GLN A 50 9.729 -2.495 -13.802 1.00 1.25 C ATOM 705 OE1 GLN A 50 9.601 -1.368 -14.288 1.00 53.41 O ATOM 706 NE2 GLN A 50 10.816 -3.208 -14.000 1.00 73.33 N ATOM 0 H GLN A 50 7.781 -2.831 -9.411 1.00 10.22 H new ATOM 0 HA GLN A 50 10.146 -2.881 -10.840 1.00 43.42 H new ATOM 0 HB2 GLN A 50 7.355 -2.698 -11.275 1.00 24.25 H new ATOM 0 HB3 GLN A 50 8.008 -1.268 -12.049 1.00 24.25 H new ATOM 0 HG2 GLN A 50 8.957 -4.099 -12.614 1.00 22.13 H new ATOM 0 HG3 GLN A 50 7.744 -3.257 -13.559 1.00 22.13 H new ATOM 0 HE21 GLN A 50 10.899 -4.137 -13.588 1.00 73.33 H new ATOM 0 HE22 GLN A 50 11.577 -2.832 -14.566 1.00 73.33 H new ATOM 715 N SER A 51 9.228 0.186 -9.977 1.00 22.11 N ATOM 716 CA SER A 51 9.656 1.570 -9.852 1.00 10.42 C ATOM 717 C SER A 51 10.836 1.678 -8.881 1.00 3.23 C ATOM 718 O SER A 51 11.859 2.272 -9.229 1.00 25.12 O ATOM 719 CB SER A 51 8.464 2.427 -9.394 1.00 22.31 C ATOM 720 OG SER A 51 8.781 3.808 -9.404 1.00 32.31 O ATOM 0 H SER A 51 8.319 0.005 -9.552 1.00 22.11 H new ATOM 0 HA SER A 51 9.998 1.940 -10.818 1.00 10.42 H new ATOM 0 HB2 SER A 51 7.611 2.244 -10.048 1.00 22.31 H new ATOM 0 HB3 SER A 51 8.165 2.129 -8.389 1.00 22.31 H new ATOM 0 HG SER A 51 8.002 4.325 -9.110 1.00 32.31 H new ATOM 726 N ILE A 52 10.726 1.094 -7.682 1.00 32.54 N ATOM 727 CA ILE A 52 11.781 1.155 -6.671 1.00 3.43 C ATOM 728 C ILE A 52 13.101 0.599 -7.217 1.00 70.33 C ATOM 729 O ILE A 52 14.141 1.175 -6.914 1.00 0.44 O ATOM 730 CB ILE A 52 11.337 0.504 -5.336 1.00 22.03 C ATOM 731 CG1 ILE A 52 10.041 1.161 -4.806 1.00 42.10 C ATOM 732 CG2 ILE A 52 12.426 0.660 -4.254 1.00 11.34 C ATOM 733 CD1 ILE A 52 9.399 0.396 -3.651 1.00 11.25 C ATOM 0 H ILE A 52 9.903 0.567 -7.388 1.00 32.54 H new ATOM 0 HA ILE A 52 11.967 2.203 -6.434 1.00 3.43 H new ATOM 0 HB ILE A 52 11.165 -0.553 -5.540 1.00 22.03 H new ATOM 0 HG12 ILE A 52 10.265 2.176 -4.479 1.00 42.10 H new ATOM 0 HG13 ILE A 52 9.323 1.240 -5.622 1.00 42.10 H new ATOM 0 HG21 ILE A 52 12.088 0.194 -3.328 1.00 11.34 H new ATOM 0 HG22 ILE A 52 13.344 0.177 -4.589 1.00 11.34 H new ATOM 0 HG23 ILE A 52 12.616 1.719 -4.079 1.00 11.34 H new ATOM 0 HD11 ILE A 52 8.495 0.913 -3.330 1.00 11.25 H new ATOM 0 HD12 ILE A 52 9.143 -0.611 -3.979 1.00 11.25 H new ATOM 0 HD13 ILE A 52 10.100 0.339 -2.818 1.00 11.25 H new ATOM 745 N GLN A 53 13.095 -0.454 -8.043 1.00 34.11 N ATOM 746 CA GLN A 53 14.329 -1.018 -8.601 1.00 34.35 C ATOM 747 C GLN A 53 15.125 0.004 -9.426 1.00 0.15 C ATOM 748 O GLN A 53 16.354 -0.060 -9.440 1.00 21.21 O ATOM 749 CB GLN A 53 14.014 -2.267 -9.434 1.00 12.05 C ATOM 750 CG GLN A 53 13.804 -3.481 -8.532 1.00 54.11 C ATOM 751 CD GLN A 53 13.502 -4.742 -9.324 1.00 43.00 C ATOM 752 OE1 GLN A 53 12.349 -5.150 -9.425 1.00 61.43 O ATOM 753 NE2 GLN A 53 14.501 -5.417 -9.860 1.00 2.42 N ATOM 0 H GLN A 53 12.246 -0.934 -8.340 1.00 34.11 H new ATOM 0 HA GLN A 53 14.963 -1.301 -7.761 1.00 34.35 H new ATOM 0 HB2 GLN A 53 13.120 -2.094 -10.033 1.00 12.05 H new ATOM 0 HB3 GLN A 53 14.831 -2.462 -10.129 1.00 12.05 H new ATOM 0 HG2 GLN A 53 14.696 -3.640 -7.927 1.00 54.11 H new ATOM 0 HG3 GLN A 53 12.983 -3.282 -7.843 1.00 54.11 H new ATOM 0 HE21 GLN A 53 15.456 -5.071 -9.771 1.00 2.42 H new ATOM 0 HE22 GLN A 53 14.318 -6.285 -10.363 1.00 2.42 H new ATOM 762 N SER A 54 14.449 0.941 -10.095 1.00 61.42 N ATOM 763 CA SER A 54 15.079 1.982 -10.897 1.00 51.11 C ATOM 764 C SER A 54 15.880 2.874 -9.942 1.00 40.10 C ATOM 765 O SER A 54 17.094 3.039 -10.063 1.00 0.22 O ATOM 766 CB SER A 54 13.968 2.745 -11.637 1.00 51.52 C ATOM 767 OG SER A 54 14.469 3.596 -12.639 1.00 14.25 O ATOM 0 H SER A 54 13.430 0.995 -10.092 1.00 61.42 H new ATOM 0 HA SER A 54 15.764 1.588 -11.647 1.00 51.11 H new ATOM 0 HB2 SER A 54 13.278 2.030 -12.085 1.00 51.52 H new ATOM 0 HB3 SER A 54 13.396 3.333 -10.919 1.00 51.52 H new ATOM 0 HG SER A 54 13.724 4.056 -13.080 1.00 14.25 H new ATOM 773 N LEU A 55 15.209 3.398 -8.914 1.00 41.32 N ATOM 774 CA LEU A 55 15.818 4.264 -7.910 1.00 11.10 C ATOM 775 C LEU A 55 16.894 3.508 -7.126 1.00 70.02 C ATOM 776 O LEU A 55 17.879 4.111 -6.696 1.00 60.15 O ATOM 777 CB LEU A 55 14.736 4.854 -6.993 1.00 73.34 C ATOM 778 CG LEU A 55 13.965 6.058 -7.578 1.00 14.33 C ATOM 779 CD1 LEU A 55 14.851 7.308 -7.667 1.00 41.11 C ATOM 780 CD2 LEU A 55 13.320 5.807 -8.947 1.00 31.24 C ATOM 0 H LEU A 55 14.216 3.229 -8.756 1.00 41.32 H new ATOM 0 HA LEU A 55 16.314 5.097 -8.408 1.00 11.10 H new ATOM 0 HB2 LEU A 55 14.021 4.068 -6.749 1.00 73.34 H new ATOM 0 HB3 LEU A 55 15.203 5.162 -6.057 1.00 73.34 H new ATOM 0 HG LEU A 55 13.152 6.217 -6.869 1.00 14.33 H new ATOM 0 HD11 LEU A 55 14.274 8.134 -8.083 1.00 41.11 H new ATOM 0 HD12 LEU A 55 15.203 7.576 -6.671 1.00 41.11 H new ATOM 0 HD13 LEU A 55 15.706 7.103 -8.310 1.00 41.11 H new ATOM 0 HD21 LEU A 55 12.802 6.708 -9.276 1.00 31.24 H new ATOM 0 HD22 LEU A 55 14.092 5.548 -9.671 1.00 31.24 H new ATOM 0 HD23 LEU A 55 12.607 4.987 -8.868 1.00 31.24 H new ATOM 792 N ALA A 56 16.733 2.194 -6.938 1.00 44.01 N ATOM 793 CA ALA A 56 17.689 1.351 -6.237 1.00 4.31 C ATOM 794 C ALA A 56 19.014 1.360 -6.993 1.00 62.30 C ATOM 795 O ALA A 56 20.064 1.412 -6.351 1.00 43.20 O ATOM 796 CB ALA A 56 17.161 -0.075 -6.091 1.00 22.15 C ATOM 0 H ALA A 56 15.918 1.684 -7.277 1.00 44.01 H new ATOM 0 HA ALA A 56 17.842 1.747 -5.233 1.00 4.31 H new ATOM 0 HB1 ALA A 56 17.896 -0.683 -5.563 1.00 22.15 H new ATOM 0 HB2 ALA A 56 16.229 -0.062 -5.527 1.00 22.15 H new ATOM 0 HB3 ALA A 56 16.981 -0.499 -7.079 1.00 22.15 H new ATOM 802 N ALA A 57 18.982 1.354 -8.332 1.00 61.41 N ATOM 803 CA ALA A 57 20.189 1.387 -9.149 1.00 34.41 C ATOM 804 C ALA A 57 20.973 2.682 -8.881 1.00 34.54 C ATOM 805 O ALA A 57 22.191 2.726 -9.066 1.00 43.32 O ATOM 806 CB ALA A 57 19.827 1.245 -10.632 1.00 71.41 C ATOM 0 H ALA A 57 18.118 1.326 -8.873 1.00 61.41 H new ATOM 0 HA ALA A 57 20.829 0.547 -8.880 1.00 34.41 H new ATOM 0 HB1 ALA A 57 20.736 1.271 -11.233 1.00 71.41 H new ATOM 0 HB2 ALA A 57 19.313 0.297 -10.792 1.00 71.41 H new ATOM 0 HB3 ALA A 57 19.174 2.066 -10.927 1.00 71.41 H new ATOM 812 N GLN A 58 20.294 3.749 -8.449 1.00 55.01 N ATOM 813 CA GLN A 58 20.901 5.034 -8.128 1.00 22.23 C ATOM 814 C GLN A 58 21.266 5.126 -6.640 1.00 54.42 C ATOM 815 O GLN A 58 22.110 5.950 -6.282 1.00 4.30 O ATOM 816 CB GLN A 58 19.957 6.173 -8.552 1.00 31.53 C ATOM 817 CG GLN A 58 20.221 6.581 -10.009 1.00 73.53 C ATOM 818 CD GLN A 58 21.569 7.281 -10.200 1.00 73.10 C ATOM 819 OE1 GLN A 58 22.271 7.632 -9.249 1.00 15.32 O ATOM 820 NE2 GLN A 58 21.981 7.476 -11.431 1.00 14.55 N ATOM 0 H GLN A 58 19.283 3.738 -8.311 1.00 55.01 H new ATOM 0 HA GLN A 58 21.833 5.130 -8.685 1.00 22.23 H new ATOM 0 HB2 GLN A 58 18.921 5.854 -8.440 1.00 31.53 H new ATOM 0 HB3 GLN A 58 20.098 7.033 -7.897 1.00 31.53 H new ATOM 0 HG2 GLN A 58 20.186 5.694 -10.641 1.00 73.53 H new ATOM 0 HG3 GLN A 58 19.423 7.243 -10.345 1.00 73.53 H new ATOM 0 HE21 GLN A 58 21.398 7.185 -12.216 1.00 14.55 H new ATOM 0 HE22 GLN A 58 22.884 7.919 -11.603 1.00 14.55 H new ATOM 829 N GLY A 59 20.668 4.305 -5.775 1.00 41.15 N ATOM 830 CA GLY A 59 20.936 4.284 -4.344 1.00 5.51 C ATOM 831 C GLY A 59 20.361 5.477 -3.580 1.00 1.40 C ATOM 832 O GLY A 59 20.876 5.807 -2.513 1.00 14.04 O ATOM 0 H GLY A 59 19.967 3.621 -6.062 1.00 41.15 H new ATOM 0 HA2 GLY A 59 20.527 3.366 -3.923 1.00 5.51 H new ATOM 0 HA3 GLY A 59 22.014 4.253 -4.188 1.00 5.51 H new ATOM 836 N ARG A 60 19.348 6.179 -4.101 1.00 4.41 N ATOM 837 CA ARG A 60 18.754 7.327 -3.411 1.00 13.42 C ATOM 838 C ARG A 60 17.377 7.596 -3.985 1.00 52.13 C ATOM 839 O ARG A 60 17.212 7.439 -5.197 1.00 25.42 O ATOM 840 CB ARG A 60 19.619 8.577 -3.666 1.00 3.14 C ATOM 841 CG ARG A 60 19.334 9.783 -2.752 1.00 2.31 C ATOM 842 CD ARG A 60 19.814 9.601 -1.304 1.00 54.20 C ATOM 843 NE ARG A 60 19.542 10.820 -0.516 1.00 3.30 N ATOM 844 CZ ARG A 60 20.325 11.357 0.429 1.00 73.52 C ATOM 845 NH1 ARG A 60 21.338 10.669 0.943 1.00 72.31 N ATOM 846 NH2 ARG A 60 20.087 12.592 0.852 1.00 15.01 N ATOM 0 H ARG A 60 18.921 5.969 -5.003 1.00 4.41 H new ATOM 0 HA ARG A 60 18.693 7.112 -2.344 1.00 13.42 H new ATOM 0 HB2 ARG A 60 20.667 8.300 -3.555 1.00 3.14 H new ATOM 0 HB3 ARG A 60 19.479 8.888 -4.701 1.00 3.14 H new ATOM 0 HG2 ARG A 60 19.814 10.666 -3.174 1.00 2.31 H new ATOM 0 HG3 ARG A 60 18.261 9.975 -2.746 1.00 2.31 H new ATOM 0 HD2 ARG A 60 19.310 8.747 -0.851 1.00 54.20 H new ATOM 0 HD3 ARG A 60 20.882 9.383 -1.293 1.00 54.20 H new ATOM 0 HE ARG A 60 18.666 11.304 -0.712 1.00 3.30 H new ATOM 0 HH11 ARG A 60 21.527 9.721 0.619 1.00 72.31 H new ATOM 0 HH12 ARG A 60 21.927 11.089 1.662 1.00 72.31 H new ATOM 0 HH21 ARG A 60 19.312 13.126 0.458 1.00 15.01 H new ATOM 0 HH22 ARG A 60 20.679 13.008 1.571 1.00 15.01 H new ATOM 860 N THR A 61 16.441 8.098 -3.183 1.00 53.42 N ATOM 861 CA THR A 61 15.097 8.432 -3.626 1.00 35.20 C ATOM 862 C THR A 61 14.661 9.721 -2.930 1.00 12.03 C ATOM 863 O THR A 61 14.815 9.868 -1.712 1.00 40.11 O ATOM 864 CB THR A 61 14.107 7.285 -3.355 1.00 3.31 C ATOM 865 OG1 THR A 61 14.662 6.022 -3.659 1.00 31.33 O ATOM 866 CG2 THR A 61 12.851 7.488 -4.212 1.00 52.31 C ATOM 0 H THR A 61 16.601 8.286 -2.193 1.00 53.42 H new ATOM 0 HA THR A 61 15.102 8.584 -4.705 1.00 35.20 H new ATOM 0 HB THR A 61 13.864 7.303 -2.293 1.00 3.31 H new ATOM 0 HG1 THR A 61 14.992 5.603 -2.837 1.00 31.33 H new ATOM 0 HG21 THR A 61 12.147 6.678 -4.023 1.00 52.31 H new ATOM 0 HG22 THR A 61 12.386 8.440 -3.956 1.00 52.31 H new ATOM 0 HG23 THR A 61 13.127 7.491 -5.267 1.00 52.31 H new ATOM 874 N SER A 62 14.166 10.693 -3.698 1.00 21.33 N ATOM 875 CA SER A 62 13.696 11.955 -3.140 1.00 75.23 C ATOM 876 C SER A 62 12.353 11.726 -2.428 1.00 63.54 C ATOM 877 O SER A 62 11.608 10.832 -2.832 1.00 32.43 O ATOM 878 CB SER A 62 13.647 12.994 -4.254 1.00 52.20 C ATOM 879 OG SER A 62 14.986 13.259 -4.625 1.00 71.21 O ATOM 0 H SER A 62 14.081 10.626 -4.712 1.00 21.33 H new ATOM 0 HA SER A 62 14.376 12.343 -2.382 1.00 75.23 H new ATOM 0 HB2 SER A 62 13.077 12.622 -5.105 1.00 52.20 H new ATOM 0 HB3 SER A 62 13.153 13.904 -3.913 1.00 52.20 H new ATOM 0 HG SER A 62 15.001 13.925 -5.344 1.00 71.21 H new ATOM 885 N PRO A 63 12.007 12.520 -1.402 1.00 34.23 N ATOM 886 CA PRO A 63 10.778 12.339 -0.636 1.00 42.54 C ATOM 887 C PRO A 63 9.492 12.553 -1.420 1.00 34.23 C ATOM 888 O PRO A 63 8.608 11.706 -1.318 1.00 72.04 O ATOM 889 CB PRO A 63 10.873 13.303 0.544 1.00 15.41 C ATOM 890 CG PRO A 63 11.764 14.401 -0.004 1.00 52.45 C ATOM 891 CD PRO A 63 12.775 13.619 -0.839 1.00 62.32 C ATOM 0 HA PRO A 63 10.709 11.297 -0.325 1.00 42.54 H new ATOM 0 HB2 PRO A 63 9.895 13.683 0.838 1.00 15.41 H new ATOM 0 HB3 PRO A 63 11.308 12.828 1.423 1.00 15.41 H new ATOM 0 HG2 PRO A 63 11.204 15.115 -0.608 1.00 52.45 H new ATOM 0 HG3 PRO A 63 12.247 14.967 0.792 1.00 52.45 H new ATOM 0 HD2 PRO A 63 13.210 14.241 -1.621 1.00 62.32 H new ATOM 0 HD3 PRO A 63 13.599 13.255 -0.226 1.00 62.32 H new ATOM 899 N ASN A 64 9.356 13.642 -2.191 1.00 63.42 N ATOM 900 CA ASN A 64 8.121 13.870 -2.946 1.00 31.20 C ATOM 901 C ASN A 64 7.876 12.698 -3.889 1.00 4.24 C ATOM 902 O ASN A 64 6.767 12.176 -3.992 1.00 60.13 O ATOM 903 CB ASN A 64 8.170 15.169 -3.756 1.00 4.51 C ATOM 904 CG ASN A 64 6.955 15.308 -4.669 1.00 61.33 C ATOM 905 OD1 ASN A 64 6.969 14.815 -5.798 1.00 72.43 O ATOM 906 ND2 ASN A 64 5.917 15.969 -4.204 1.00 34.51 N ATOM 0 H ASN A 64 10.069 14.362 -2.306 1.00 63.42 H new ATOM 0 HA ASN A 64 7.308 13.957 -2.226 1.00 31.20 H new ATOM 0 HB2 ASN A 64 8.215 16.020 -3.077 1.00 4.51 H new ATOM 0 HB3 ASN A 64 9.080 15.191 -4.355 1.00 4.51 H new ATOM 0 HD21 ASN A 64 5.086 16.087 -4.784 1.00 34.51 H new ATOM 0 HD22 ASN A 64 5.943 16.363 -3.264 1.00 34.51 H new ATOM 913 N LYS A 65 8.950 12.284 -4.562 1.00 41.01 N ATOM 914 CA LYS A 65 8.941 11.181 -5.497 1.00 53.22 C ATOM 915 C LYS A 65 8.489 9.901 -4.799 1.00 3.42 C ATOM 916 O LYS A 65 7.590 9.225 -5.290 1.00 53.34 O ATOM 917 CB LYS A 65 10.326 11.080 -6.153 1.00 65.11 C ATOM 918 CG LYS A 65 10.558 9.741 -6.869 1.00 54.42 C ATOM 919 CD LYS A 65 11.594 9.853 -7.993 1.00 50.13 C ATOM 920 CE LYS A 65 11.156 10.753 -9.162 1.00 45.40 C ATOM 921 NZ LYS A 65 9.879 10.337 -9.777 1.00 14.21 N ATOM 0 H LYS A 65 9.866 12.722 -4.463 1.00 41.01 H new ATOM 0 HA LYS A 65 8.219 11.348 -6.296 1.00 53.22 H new ATOM 0 HB2 LYS A 65 10.442 11.893 -6.870 1.00 65.11 H new ATOM 0 HB3 LYS A 65 11.093 11.215 -5.391 1.00 65.11 H new ATOM 0 HG2 LYS A 65 10.890 8.997 -6.145 1.00 54.42 H new ATOM 0 HG3 LYS A 65 9.614 9.384 -7.282 1.00 54.42 H new ATOM 0 HD2 LYS A 65 12.524 10.241 -7.578 1.00 50.13 H new ATOM 0 HD3 LYS A 65 11.808 8.855 -8.377 1.00 50.13 H new ATOM 0 HE2 LYS A 65 11.062 11.779 -8.805 1.00 45.40 H new ATOM 0 HE3 LYS A 65 11.935 10.751 -9.924 1.00 45.40 H new ATOM 0 HZ1 LYS A 65 9.701 10.908 -10.628 1.00 14.21 H new ATOM 0 HZ2 LYS A 65 9.931 9.332 -10.039 1.00 14.21 H new ATOM 0 HZ3 LYS A 65 9.104 10.478 -9.098 1.00 14.21 H new ATOM 935 N LEU A 66 9.106 9.586 -3.660 1.00 41.10 N ATOM 936 CA LEU A 66 8.817 8.404 -2.862 1.00 15.45 C ATOM 937 C LEU A 66 7.353 8.381 -2.419 1.00 14.00 C ATOM 938 O LEU A 66 6.680 7.372 -2.610 1.00 23.02 O ATOM 939 CB LEU A 66 9.775 8.390 -1.661 1.00 71.21 C ATOM 940 CG LEU A 66 9.864 7.039 -0.937 1.00 70.23 C ATOM 941 CD1 LEU A 66 10.663 6.040 -1.778 1.00 42.01 C ATOM 942 CD2 LEU A 66 10.591 7.243 0.395 1.00 33.01 C ATOM 0 H LEU A 66 9.842 10.167 -3.259 1.00 41.10 H new ATOM 0 HA LEU A 66 8.971 7.505 -3.459 1.00 15.45 H new ATOM 0 HB2 LEU A 66 10.771 8.672 -2.003 1.00 71.21 H new ATOM 0 HB3 LEU A 66 9.456 9.150 -0.948 1.00 71.21 H new ATOM 0 HG LEU A 66 8.858 6.652 -0.775 1.00 70.23 H new ATOM 0 HD11 LEU A 66 10.719 5.086 -1.254 1.00 42.01 H new ATOM 0 HD12 LEU A 66 10.170 5.897 -2.739 1.00 42.01 H new ATOM 0 HD13 LEU A 66 11.670 6.424 -1.940 1.00 42.01 H new ATOM 0 HD21 LEU A 66 10.662 6.291 0.921 1.00 33.01 H new ATOM 0 HD22 LEU A 66 11.593 7.629 0.207 1.00 33.01 H new ATOM 0 HD23 LEU A 66 10.037 7.955 1.007 1.00 33.01 H new ATOM 954 N GLN A 67 6.860 9.500 -1.878 1.00 74.43 N ATOM 955 CA GLN A 67 5.497 9.690 -1.388 1.00 73.04 C ATOM 956 C GLN A 67 4.455 9.324 -2.457 1.00 4.03 C ATOM 957 O GLN A 67 3.366 8.859 -2.115 1.00 43.12 O ATOM 958 CB GLN A 67 5.352 11.153 -0.927 1.00 35.34 C ATOM 959 CG GLN A 67 4.074 11.472 -0.133 1.00 74.45 C ATOM 960 CD GLN A 67 3.809 12.979 -0.059 1.00 52.31 C ATOM 961 OE1 GLN A 67 4.720 13.808 -0.097 1.00 52.34 O ATOM 962 NE2 GLN A 67 2.557 13.379 0.072 1.00 3.51 N ATOM 0 H GLN A 67 7.432 10.337 -1.766 1.00 74.43 H new ATOM 0 HA GLN A 67 5.312 9.022 -0.547 1.00 73.04 H new ATOM 0 HB2 GLN A 67 6.215 11.409 -0.312 1.00 35.34 H new ATOM 0 HB3 GLN A 67 5.384 11.798 -1.805 1.00 35.34 H new ATOM 0 HG2 GLN A 67 3.223 10.976 -0.600 1.00 74.45 H new ATOM 0 HG3 GLN A 67 4.163 11.069 0.876 1.00 74.45 H new ATOM 0 HE21 GLN A 67 1.803 12.693 0.103 1.00 3.51 H new ATOM 0 HE22 GLN A 67 2.344 14.374 0.142 1.00 3.51 H new ATOM 971 N ALA A 68 4.762 9.521 -3.745 1.00 1.11 N ATOM 972 CA ALA A 68 3.835 9.197 -4.821 1.00 32.53 C ATOM 973 C ALA A 68 3.477 7.707 -4.828 1.00 33.41 C ATOM 974 O ALA A 68 2.361 7.353 -5.203 1.00 42.14 O ATOM 975 CB ALA A 68 4.431 9.604 -6.170 1.00 72.12 C ATOM 0 H ALA A 68 5.652 9.906 -4.062 1.00 1.11 H new ATOM 0 HA ALA A 68 2.916 9.758 -4.650 1.00 32.53 H new ATOM 0 HB1 ALA A 68 3.730 9.357 -6.967 1.00 72.12 H new ATOM 0 HB2 ALA A 68 4.622 10.677 -6.174 1.00 72.12 H new ATOM 0 HB3 ALA A 68 5.366 9.068 -6.331 1.00 72.12 H new ATOM 981 N LEU A 69 4.397 6.824 -4.426 1.00 22.14 N ATOM 982 CA LEU A 69 4.126 5.391 -4.394 1.00 40.13 C ATOM 983 C LEU A 69 3.135 5.097 -3.269 1.00 11.02 C ATOM 984 O LEU A 69 2.216 4.308 -3.465 1.00 20.13 O ATOM 985 CB LEU A 69 5.408 4.561 -4.218 1.00 5.52 C ATOM 986 CG LEU A 69 6.296 4.493 -5.478 1.00 3.31 C ATOM 987 CD1 LEU A 69 7.103 5.776 -5.726 1.00 54.23 C ATOM 988 CD2 LEU A 69 7.284 3.328 -5.359 1.00 73.20 C ATOM 0 H LEU A 69 5.335 7.081 -4.119 1.00 22.14 H new ATOM 0 HA LEU A 69 3.697 5.102 -5.353 1.00 40.13 H new ATOM 0 HB2 LEU A 69 5.991 4.983 -3.399 1.00 5.52 H new ATOM 0 HB3 LEU A 69 5.134 3.547 -3.925 1.00 5.52 H new ATOM 0 HG LEU A 69 5.614 4.357 -6.318 1.00 3.31 H new ATOM 0 HD11 LEU A 69 7.705 5.659 -6.627 1.00 54.23 H new ATOM 0 HD12 LEU A 69 6.420 6.616 -5.852 1.00 54.23 H new ATOM 0 HD13 LEU A 69 7.757 5.965 -4.875 1.00 54.23 H new ATOM 0 HD21 LEU A 69 7.907 3.287 -6.252 1.00 73.20 H new ATOM 0 HD22 LEU A 69 7.915 3.474 -4.483 1.00 73.20 H new ATOM 0 HD23 LEU A 69 6.733 2.393 -5.257 1.00 73.20 H new ATOM 1000 N ASN A 70 3.276 5.766 -2.119 1.00 73.35 N ATOM 1001 CA ASN A 70 2.410 5.606 -0.952 1.00 24.52 C ATOM 1002 C ASN A 70 0.959 5.888 -1.329 1.00 52.12 C ATOM 1003 O ASN A 70 0.068 5.076 -1.057 1.00 63.04 O ATOM 1004 CB ASN A 70 2.790 6.570 0.189 1.00 61.44 C ATOM 1005 CG ASN A 70 4.205 6.450 0.729 1.00 1.31 C ATOM 1006 OD1 ASN A 70 5.178 6.271 0.004 1.00 55.30 O ATOM 1007 ND2 ASN A 70 4.382 6.638 2.021 1.00 11.42 N ATOM 0 H ASN A 70 4.017 6.452 -1.973 1.00 73.35 H new ATOM 0 HA ASN A 70 2.535 4.578 -0.611 1.00 24.52 H new ATOM 0 HB2 ASN A 70 2.644 7.591 -0.163 1.00 61.44 H new ATOM 0 HB3 ASN A 70 2.095 6.415 1.014 1.00 61.44 H new ATOM 0 HD21 ASN A 70 5.324 6.634 2.413 1.00 11.42 H new ATOM 0 HD22 ASN A 70 3.577 6.787 2.630 1.00 11.42 H new ATOM 1014 N MET A 71 0.730 7.059 -1.936 1.00 20.42 N ATOM 1015 CA MET A 71 -0.589 7.506 -2.360 1.00 70.31 C ATOM 1016 C MET A 71 -1.125 6.636 -3.501 1.00 71.14 C ATOM 1017 O MET A 71 -2.293 6.256 -3.463 1.00 71.51 O ATOM 1018 CB MET A 71 -0.561 9.013 -2.673 1.00 22.44 C ATOM 1019 CG MET A 71 0.203 9.376 -3.942 1.00 55.33 C ATOM 1020 SD MET A 71 0.426 11.143 -4.296 1.00 72.52 S ATOM 1021 CE MET A 71 1.338 11.682 -2.828 1.00 1.53 C ATOM 0 H MET A 71 1.471 7.727 -2.146 1.00 20.42 H new ATOM 0 HA MET A 71 -1.301 7.377 -1.545 1.00 70.31 H new ATOM 0 HB2 MET A 71 -1.586 9.372 -2.765 1.00 22.44 H new ATOM 0 HB3 MET A 71 -0.113 9.539 -1.830 1.00 22.44 H new ATOM 0 HG2 MET A 71 1.189 8.915 -3.887 1.00 55.33 H new ATOM 0 HG3 MET A 71 -0.313 8.924 -4.789 1.00 55.33 H new ATOM 0 HE1 MET A 71 2.157 12.336 -3.128 1.00 1.53 H new ATOM 0 HE2 MET A 71 0.667 12.223 -2.161 1.00 1.53 H new ATOM 0 HE3 MET A 71 1.740 10.812 -2.310 1.00 1.53 H new ATOM 1031 N ALA A 72 -0.290 6.273 -4.485 1.00 34.20 N ATOM 1032 CA ALA A 72 -0.712 5.439 -5.604 1.00 61.30 C ATOM 1033 C ALA A 72 -1.173 4.074 -5.097 1.00 53.22 C ATOM 1034 O ALA A 72 -2.194 3.570 -5.559 1.00 0.13 O ATOM 1035 CB ALA A 72 0.421 5.281 -6.618 1.00 1.12 C ATOM 0 H ALA A 72 0.691 6.551 -4.522 1.00 34.20 H new ATOM 0 HA ALA A 72 -1.548 5.927 -6.105 1.00 61.30 H new ATOM 0 HB1 ALA A 72 0.085 4.655 -7.445 1.00 1.12 H new ATOM 0 HB2 ALA A 72 0.708 6.261 -6.998 1.00 1.12 H new ATOM 0 HB3 ALA A 72 1.279 4.814 -6.135 1.00 1.12 H new ATOM 1041 N PHE A 73 -0.455 3.499 -4.127 1.00 53.32 N ATOM 1042 CA PHE A 73 -0.788 2.211 -3.540 1.00 12.52 C ATOM 1043 C PHE A 73 -2.204 2.287 -2.963 1.00 40.41 C ATOM 1044 O PHE A 73 -3.030 1.433 -3.270 1.00 72.21 O ATOM 1045 CB PHE A 73 0.261 1.844 -2.475 1.00 52.50 C ATOM 1046 CG PHE A 73 0.192 0.449 -1.876 1.00 12.11 C ATOM 1047 CD1 PHE A 73 0.551 0.265 -0.526 1.00 61.20 C ATOM 1048 CD2 PHE A 73 -0.161 -0.672 -2.657 1.00 14.30 C ATOM 1049 CE1 PHE A 73 0.518 -1.019 0.048 1.00 34.13 C ATOM 1050 CE2 PHE A 73 -0.191 -1.954 -2.081 1.00 74.14 C ATOM 1051 CZ PHE A 73 0.140 -2.127 -0.727 1.00 32.50 C ATOM 0 H PHE A 73 0.381 3.925 -3.728 1.00 53.32 H new ATOM 0 HA PHE A 73 -0.772 1.423 -4.292 1.00 12.52 H new ATOM 0 HB2 PHE A 73 1.249 1.972 -2.917 1.00 52.50 H new ATOM 0 HB3 PHE A 73 0.181 2.564 -1.661 1.00 52.50 H new ATOM 0 HD1 PHE A 73 0.853 1.113 0.071 1.00 61.20 H new ATOM 0 HD2 PHE A 73 -0.409 -0.545 -3.700 1.00 14.30 H new ATOM 0 HE1 PHE A 73 0.784 -1.153 1.086 1.00 34.13 H new ATOM 0 HE2 PHE A 73 -0.469 -2.808 -2.681 1.00 74.14 H new ATOM 0 HZ PHE A 73 0.104 -3.111 -0.283 1.00 32.50 H new ATOM 1061 N ALA A 74 -2.505 3.332 -2.180 1.00 54.22 N ATOM 1062 CA ALA A 74 -3.819 3.526 -1.576 1.00 14.23 C ATOM 1063 C ALA A 74 -4.898 3.711 -2.652 1.00 41.30 C ATOM 1064 O ALA A 74 -6.013 3.209 -2.509 1.00 22.25 O ATOM 1065 CB ALA A 74 -3.793 4.723 -0.626 1.00 43.02 C ATOM 0 H ALA A 74 -1.836 4.067 -1.950 1.00 54.22 H new ATOM 0 HA ALA A 74 -4.068 2.632 -1.004 1.00 14.23 H new ATOM 0 HB1 ALA A 74 -4.780 4.857 -0.182 1.00 43.02 H new ATOM 0 HB2 ALA A 74 -3.061 4.546 0.162 1.00 43.02 H new ATOM 0 HB3 ALA A 74 -3.520 5.621 -1.180 1.00 43.02 H new ATOM 1071 N SER A 75 -4.561 4.420 -3.730 1.00 40.42 N ATOM 1072 CA SER A 75 -5.434 4.692 -4.860 1.00 60.14 C ATOM 1073 C SER A 75 -5.844 3.353 -5.491 1.00 30.12 C ATOM 1074 O SER A 75 -7.031 3.047 -5.589 1.00 40.31 O ATOM 1075 CB SER A 75 -4.684 5.636 -5.814 1.00 60.35 C ATOM 1076 OG SER A 75 -5.541 6.307 -6.711 1.00 45.14 O ATOM 0 H SER A 75 -3.635 4.834 -3.839 1.00 40.42 H new ATOM 0 HA SER A 75 -6.359 5.193 -4.574 1.00 60.14 H new ATOM 0 HB2 SER A 75 -4.132 6.371 -5.229 1.00 60.35 H new ATOM 0 HB3 SER A 75 -3.950 5.063 -6.381 1.00 60.35 H new ATOM 0 HG SER A 75 -6.469 6.207 -6.413 1.00 45.14 H new ATOM 1082 N SER A 76 -4.884 2.512 -5.886 1.00 44.42 N ATOM 1083 CA SER A 76 -5.199 1.215 -6.476 1.00 45.10 C ATOM 1084 C SER A 76 -5.864 0.287 -5.453 1.00 12.03 C ATOM 1085 O SER A 76 -6.607 -0.622 -5.837 1.00 3.24 O ATOM 1086 CB SER A 76 -3.943 0.619 -7.104 1.00 23.31 C ATOM 1087 OG SER A 76 -3.443 1.518 -8.079 1.00 75.31 O ATOM 0 H SER A 76 -3.886 2.708 -5.807 1.00 44.42 H new ATOM 0 HA SER A 76 -5.931 1.345 -7.274 1.00 45.10 H new ATOM 0 HB2 SER A 76 -3.189 0.437 -6.338 1.00 23.31 H new ATOM 0 HB3 SER A 76 -4.171 -0.344 -7.561 1.00 23.31 H new ATOM 0 HG SER A 76 -2.634 1.143 -8.486 1.00 75.31 H new ATOM 1093 N LEU A 77 -5.649 0.501 -4.150 1.00 10.11 N ATOM 1094 CA LEU A 77 -6.271 -0.301 -3.106 1.00 51.22 C ATOM 1095 C LEU A 77 -7.784 -0.096 -3.172 1.00 3.35 C ATOM 1096 O LEU A 77 -8.526 -1.049 -2.960 1.00 33.21 O ATOM 1097 CB LEU A 77 -5.735 0.083 -1.719 1.00 41.33 C ATOM 1098 CG LEU A 77 -5.062 -1.092 -1.006 1.00 12.00 C ATOM 1099 CD1 LEU A 77 -3.690 -1.445 -1.585 1.00 35.34 C ATOM 1100 CD2 LEU A 77 -4.881 -0.722 0.462 1.00 55.21 C ATOM 0 H LEU A 77 -5.038 1.237 -3.796 1.00 10.11 H new ATOM 0 HA LEU A 77 -6.031 -1.352 -3.267 1.00 51.22 H new ATOM 0 HB2 LEU A 77 -5.020 0.899 -1.822 1.00 41.33 H new ATOM 0 HB3 LEU A 77 -6.556 0.454 -1.106 1.00 41.33 H new ATOM 0 HG LEU A 77 -5.704 -1.963 -1.138 1.00 12.00 H new ATOM 0 HD11 LEU A 77 -3.268 -2.286 -1.034 1.00 35.34 H new ATOM 0 HD12 LEU A 77 -3.797 -1.716 -2.635 1.00 35.34 H new ATOM 0 HD13 LEU A 77 -3.026 -0.585 -1.498 1.00 35.34 H new ATOM 0 HD21 LEU A 77 -4.402 -1.547 0.989 1.00 55.21 H new ATOM 0 HD22 LEU A 77 -4.257 0.168 0.539 1.00 55.21 H new ATOM 0 HD23 LEU A 77 -5.855 -0.522 0.910 1.00 55.21 H new ATOM 1112 N ALA A 78 -8.236 1.132 -3.453 1.00 45.22 N ATOM 1113 CA ALA A 78 -9.646 1.487 -3.564 1.00 64.42 C ATOM 1114 C ALA A 78 -10.252 0.849 -4.804 1.00 74.52 C ATOM 1115 O ALA A 78 -11.393 0.399 -4.756 1.00 32.21 O ATOM 1116 CB ALA A 78 -9.777 3.002 -3.675 1.00 54.20 C ATOM 0 H ALA A 78 -7.611 1.922 -3.613 1.00 45.22 H new ATOM 0 HA ALA A 78 -10.171 1.127 -2.679 1.00 64.42 H new ATOM 0 HB1 ALA A 78 -10.830 3.271 -3.758 1.00 54.20 H new ATOM 0 HB2 ALA A 78 -9.352 3.470 -2.787 1.00 54.20 H new ATOM 0 HB3 ALA A 78 -9.243 3.350 -4.559 1.00 54.20 H new ATOM 1122 N GLU A 79 -9.485 0.780 -5.893 1.00 24.32 N ATOM 1123 CA GLU A 79 -9.921 0.195 -7.149 1.00 11.43 C ATOM 1124 C GLU A 79 -10.319 -1.265 -6.901 1.00 72.35 C ATOM 1125 O GLU A 79 -11.447 -1.651 -7.208 1.00 70.23 O ATOM 1126 CB GLU A 79 -8.795 0.381 -8.178 1.00 32.21 C ATOM 1127 CG GLU A 79 -9.215 0.063 -9.615 1.00 54.24 C ATOM 1128 CD GLU A 79 -8.170 0.511 -10.646 1.00 52.22 C ATOM 1129 OE1 GLU A 79 -6.991 0.746 -10.287 1.00 74.54 O ATOM 1130 OE2 GLU A 79 -8.541 0.658 -11.835 1.00 53.05 O ATOM 0 H GLU A 79 -8.530 1.136 -5.921 1.00 24.32 H new ATOM 0 HA GLU A 79 -10.805 0.685 -7.557 1.00 11.43 H new ATOM 0 HB2 GLU A 79 -8.440 1.410 -8.132 1.00 32.21 H new ATOM 0 HB3 GLU A 79 -7.956 -0.258 -7.904 1.00 32.21 H new ATOM 0 HG2 GLU A 79 -9.380 -1.010 -9.713 1.00 54.24 H new ATOM 0 HG3 GLU A 79 -10.165 0.553 -9.829 1.00 54.24 H new ATOM 1137 N ILE A 80 -9.431 -2.073 -6.307 1.00 41.24 N ATOM 1138 CA ILE A 80 -9.739 -3.477 -6.016 1.00 31.11 C ATOM 1139 C ILE A 80 -10.690 -3.590 -4.803 1.00 0.43 C ATOM 1140 O ILE A 80 -11.376 -4.597 -4.618 1.00 33.42 O ATOM 1141 CB ILE A 80 -8.456 -4.332 -5.950 1.00 64.11 C ATOM 1142 CG1 ILE A 80 -7.558 -4.160 -7.200 1.00 32.55 C ATOM 1143 CG2 ILE A 80 -8.772 -5.828 -5.793 1.00 51.20 C ATOM 1144 CD1 ILE A 80 -8.224 -4.443 -8.553 1.00 73.12 C ATOM 0 H ILE A 80 -8.497 -1.779 -6.020 1.00 41.24 H new ATOM 0 HA ILE A 80 -10.300 -3.911 -6.844 1.00 31.11 H new ATOM 0 HB ILE A 80 -7.920 -3.970 -5.073 1.00 64.11 H new ATOM 0 HG12 ILE A 80 -7.178 -3.138 -7.212 1.00 32.55 H new ATOM 0 HG13 ILE A 80 -6.696 -4.820 -7.097 1.00 32.55 H new ATOM 0 HG21 ILE A 80 -7.841 -6.394 -5.751 1.00 51.20 H new ATOM 0 HG22 ILE A 80 -9.335 -5.986 -4.873 1.00 51.20 H new ATOM 0 HG23 ILE A 80 -9.364 -6.166 -6.644 1.00 51.20 H new ATOM 0 HD11 ILE A 80 -7.500 -4.290 -9.354 1.00 73.12 H new ATOM 0 HD12 ILE A 80 -8.578 -5.474 -8.576 1.00 73.12 H new ATOM 0 HD13 ILE A 80 -9.067 -3.766 -8.692 1.00 73.12 H new ATOM 1156 N ALA A 81 -10.749 -2.583 -3.922 1.00 64.21 N ATOM 1157 CA ALA A 81 -11.673 -2.624 -2.791 1.00 20.44 C ATOM 1158 C ALA A 81 -13.096 -2.447 -3.343 1.00 75.24 C ATOM 1159 O ALA A 81 -14.054 -2.955 -2.764 1.00 63.00 O ATOM 1160 CB ALA A 81 -11.390 -1.528 -1.760 1.00 24.35 C ATOM 0 H ALA A 81 -10.174 -1.742 -3.972 1.00 64.21 H new ATOM 0 HA ALA A 81 -11.552 -3.579 -2.280 1.00 20.44 H new ATOM 0 HB1 ALA A 81 -12.106 -1.605 -0.941 1.00 24.35 H new ATOM 0 HB2 ALA A 81 -10.379 -1.647 -1.370 1.00 24.35 H new ATOM 0 HB3 ALA A 81 -11.484 -0.550 -2.233 1.00 24.35 H new ATOM 1166 N ALA A 82 -13.241 -1.733 -4.459 1.00 21.12 N ATOM 1167 CA ALA A 82 -14.516 -1.491 -5.091 1.00 45.20 C ATOM 1168 C ALA A 82 -14.977 -2.675 -5.945 1.00 71.20 C ATOM 1169 O ALA A 82 -16.137 -2.663 -6.360 1.00 63.03 O ATOM 1170 CB ALA A 82 -14.418 -0.224 -5.935 1.00 52.33 C ATOM 0 H ALA A 82 -12.456 -1.304 -4.949 1.00 21.12 H new ATOM 0 HA ALA A 82 -15.266 -1.363 -4.310 1.00 45.20 H new ATOM 0 HB1 ALA A 82 -15.377 -0.033 -6.417 1.00 52.33 H new ATOM 0 HB2 ALA A 82 -14.158 0.620 -5.296 1.00 52.33 H new ATOM 0 HB3 ALA A 82 -13.649 -0.353 -6.696 1.00 52.33 H new ATOM 1176 N SER A 83 -14.118 -3.641 -6.286 1.00 21.34 N ATOM 1177 CA SER A 83 -14.504 -4.807 -7.076 1.00 10.23 C ATOM 1178 C SER A 83 -14.684 -5.990 -6.126 1.00 30.01 C ATOM 1179 O SER A 83 -14.092 -5.996 -5.040 1.00 63.30 O ATOM 1180 CB SER A 83 -13.490 -5.082 -8.196 1.00 63.52 C ATOM 1181 OG SER A 83 -12.147 -5.094 -7.756 1.00 30.54 O ATOM 0 H SER A 83 -13.133 -3.633 -6.020 1.00 21.34 H new ATOM 0 HA SER A 83 -15.451 -4.625 -7.585 1.00 10.23 H new ATOM 0 HB2 SER A 83 -13.721 -6.043 -8.655 1.00 63.52 H new ATOM 0 HB3 SER A 83 -13.603 -4.323 -8.970 1.00 63.52 H new ATOM 0 HG SER A 83 -11.920 -5.987 -7.423 1.00 30.54 H new ATOM 1187 N GLU A 84 -15.507 -6.962 -6.549 1.00 73.34 N ATOM 1188 CA GLU A 84 -15.878 -8.207 -5.867 1.00 73.12 C ATOM 1189 C GLU A 84 -15.808 -7.993 -4.354 1.00 2.54 C ATOM 1190 O GLU A 84 -14.981 -8.583 -3.657 1.00 60.42 O ATOM 1191 CB GLU A 84 -14.971 -9.336 -6.382 1.00 24.43 C ATOM 1192 CG GLU A 84 -15.460 -10.742 -6.016 1.00 22.43 C ATOM 1193 CD GLU A 84 -16.497 -11.285 -6.999 1.00 32.51 C ATOM 1194 OE1 GLU A 84 -17.700 -10.965 -6.876 1.00 72.15 O ATOM 1195 OE2 GLU A 84 -16.131 -12.113 -7.868 1.00 23.50 O ATOM 0 H GLU A 84 -15.969 -6.888 -7.456 1.00 73.34 H new ATOM 0 HA GLU A 84 -16.905 -8.500 -6.086 1.00 73.12 H new ATOM 0 HB2 GLU A 84 -14.893 -9.260 -7.467 1.00 24.43 H new ATOM 0 HB3 GLU A 84 -13.968 -9.195 -5.980 1.00 24.43 H new ATOM 0 HG2 GLU A 84 -14.608 -11.421 -5.983 1.00 22.43 H new ATOM 0 HG3 GLU A 84 -15.891 -10.722 -5.015 1.00 22.43 H new ATOM 1202 N GLU A 85 -16.612 -7.055 -3.848 1.00 5.03 N ATOM 1203 CA GLU A 85 -16.610 -6.735 -2.434 1.00 12.50 C ATOM 1204 C GLU A 85 -17.088 -7.932 -1.607 1.00 40.10 C ATOM 1205 O GLU A 85 -17.983 -8.671 -2.026 1.00 30.53 O ATOM 1206 CB GLU A 85 -17.316 -5.395 -2.185 1.00 64.11 C ATOM 1207 CG GLU A 85 -18.839 -5.464 -2.055 1.00 34.35 C ATOM 1208 CD GLU A 85 -19.376 -4.128 -1.549 1.00 62.41 C ATOM 1209 OE1 GLU A 85 -19.954 -3.351 -2.349 1.00 65.13 O ATOM 1210 OE2 GLU A 85 -19.237 -3.865 -0.333 1.00 43.31 O ATOM 0 H GLU A 85 -17.270 -6.508 -4.403 1.00 5.03 H new ATOM 0 HA GLU A 85 -15.595 -6.565 -2.076 1.00 12.50 H new ATOM 0 HB2 GLU A 85 -16.911 -4.955 -1.273 1.00 64.11 H new ATOM 0 HB3 GLU A 85 -17.069 -4.717 -3.002 1.00 64.11 H new ATOM 0 HG2 GLU A 85 -19.285 -5.703 -3.020 1.00 34.35 H new ATOM 0 HG3 GLU A 85 -19.119 -6.263 -1.368 1.00 34.35 H new ATOM 1217 N GLY A 86 -16.462 -8.125 -0.446 1.00 62.04 N ATOM 1218 CA GLY A 86 -16.752 -9.216 0.466 1.00 62.34 C ATOM 1219 C GLY A 86 -18.058 -9.009 1.220 1.00 32.40 C ATOM 1220 O GLY A 86 -18.683 -7.946 1.135 1.00 1.44 O ATOM 0 H GLY A 86 -15.722 -7.508 -0.111 1.00 62.04 H new ATOM 0 HA2 GLY A 86 -16.802 -10.150 -0.093 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -15.935 -9.316 1.180 1.00 62.34 H new ATOM 1224 N GLY A 87 -18.445 -10.026 1.990 1.00 44.22 N ATOM 1225 CA GLY A 87 -19.648 -10.059 2.806 1.00 3.53 C ATOM 1226 C GLY A 87 -19.604 -8.988 3.892 1.00 31.30 C ATOM 1227 O GLY A 87 -18.989 -9.178 4.948 1.00 23.15 O ATOM 0 H GLY A 87 -17.901 -10.886 2.062 1.00 44.22 H new ATOM 0 HA2 GLY A 87 -20.524 -9.906 2.175 1.00 3.53 H new ATOM 0 HA3 GLY A 87 -19.753 -11.042 3.264 1.00 3.53 H new ATOM 1231 N GLY A 88 -20.228 -7.844 3.628 1.00 24.02 N ATOM 1232 CA GLY A 88 -20.294 -6.720 4.537 1.00 60.13 C ATOM 1233 C GLY A 88 -20.465 -5.446 3.738 1.00 33.52 C ATOM 1234 O GLY A 88 -21.564 -5.158 3.272 1.00 4.15 O ATOM 0 H GLY A 88 -20.714 -7.675 2.747 1.00 24.02 H new ATOM 0 HA2 GLY A 88 -21.127 -6.844 5.229 1.00 60.13 H new ATOM 0 HA3 GLY A 88 -19.386 -6.668 5.137 1.00 60.13 H new ATOM 1238 N SER A 89 -19.408 -4.645 3.634 1.00 64.31 N ATOM 1239 CA SER A 89 -19.413 -3.394 2.900 1.00 12.35 C ATOM 1240 C SER A 89 -17.964 -2.971 2.658 1.00 51.41 C ATOM 1241 O SER A 89 -17.043 -3.461 3.323 1.00 64.10 O ATOM 1242 CB SER A 89 -20.176 -2.348 3.726 1.00 45.43 C ATOM 1243 OG SER A 89 -20.224 -1.087 3.106 1.00 44.02 O ATOM 0 H SER A 89 -18.509 -4.856 4.068 1.00 64.31 H new ATOM 0 HA SER A 89 -19.908 -3.498 1.935 1.00 12.35 H new ATOM 0 HB2 SER A 89 -21.193 -2.701 3.899 1.00 45.43 H new ATOM 0 HB3 SER A 89 -19.703 -2.249 4.703 1.00 45.43 H new ATOM 0 HG SER A 89 -20.722 -0.462 3.674 1.00 44.02 H new ATOM 1249 N LEU A 90 -17.769 -2.018 1.742 1.00 2.34 N ATOM 1250 CA LEU A 90 -16.471 -1.457 1.377 1.00 24.21 C ATOM 1251 C LEU A 90 -15.804 -0.893 2.643 1.00 42.42 C ATOM 1252 O LEU A 90 -14.575 -0.877 2.738 1.00 40.24 O ATOM 1253 CB LEU A 90 -16.669 -0.443 0.234 1.00 42.44 C ATOM 1254 CG LEU A 90 -15.467 -0.273 -0.723 1.00 61.31 C ATOM 1255 CD1 LEU A 90 -15.976 0.055 -2.129 1.00 43.42 C ATOM 1256 CD2 LEU A 90 -14.523 0.848 -0.308 1.00 14.32 C ATOM 0 H LEU A 90 -18.539 -1.603 1.218 1.00 2.34 H new ATOM 0 HA LEU A 90 -15.785 -2.210 0.988 1.00 24.21 H new ATOM 0 HB2 LEU A 90 -17.537 -0.747 -0.352 1.00 42.44 H new ATOM 0 HB3 LEU A 90 -16.904 0.528 0.670 1.00 42.44 H new ATOM 0 HG LEU A 90 -14.918 -1.214 -0.693 1.00 61.31 H new ATOM 0 HD11 LEU A 90 -15.129 0.175 -2.804 1.00 43.42 H new ATOM 0 HD12 LEU A 90 -16.611 -0.756 -2.485 1.00 43.42 H new ATOM 0 HD13 LEU A 90 -16.551 0.980 -2.101 1.00 43.42 H new ATOM 0 HD21 LEU A 90 -13.701 0.914 -1.021 1.00 14.32 H new ATOM 0 HD22 LEU A 90 -15.066 1.793 -0.291 1.00 14.32 H new ATOM 0 HD23 LEU A 90 -14.125 0.640 0.685 1.00 14.32 H new ATOM 1268 N SER A 91 -16.595 -0.480 3.642 1.00 3.13 N ATOM 1269 CA SER A 91 -16.151 0.039 4.931 1.00 1.23 C ATOM 1270 C SER A 91 -15.342 -1.035 5.678 1.00 60.31 C ATOM 1271 O SER A 91 -14.296 -0.752 6.262 1.00 1.11 O ATOM 1272 CB SER A 91 -17.378 0.470 5.739 1.00 53.50 C ATOM 1273 OG SER A 91 -18.359 -0.551 5.806 1.00 15.04 O ATOM 0 H SER A 91 -17.612 -0.502 3.564 1.00 3.13 H new ATOM 0 HA SER A 91 -15.503 0.903 4.786 1.00 1.23 H new ATOM 0 HB2 SER A 91 -17.069 0.742 6.748 1.00 53.50 H new ATOM 0 HB3 SER A 91 -17.814 1.361 5.288 1.00 53.50 H new ATOM 0 HG SER A 91 -19.124 -0.236 6.331 1.00 15.04 H new ATOM 1279 N THR A 92 -15.809 -2.284 5.639 1.00 20.52 N ATOM 1280 CA THR A 92 -15.168 -3.431 6.265 1.00 34.33 C ATOM 1281 C THR A 92 -13.858 -3.711 5.520 1.00 41.20 C ATOM 1282 O THR A 92 -12.820 -3.924 6.155 1.00 15.13 O ATOM 1283 CB THR A 92 -16.137 -4.629 6.224 1.00 4.53 C ATOM 1284 OG1 THR A 92 -17.406 -4.224 6.709 1.00 61.44 O ATOM 1285 CG2 THR A 92 -15.663 -5.816 7.064 1.00 20.24 C ATOM 0 H THR A 92 -16.672 -2.528 5.154 1.00 20.52 H new ATOM 0 HA THR A 92 -14.930 -3.240 7.311 1.00 34.33 H new ATOM 0 HB THR A 92 -16.186 -4.954 5.185 1.00 4.53 H new ATOM 0 HG1 THR A 92 -18.024 -4.984 6.682 1.00 61.44 H new ATOM 0 HG21 THR A 92 -16.389 -6.626 6.992 1.00 20.24 H new ATOM 0 HG22 THR A 92 -14.697 -6.161 6.694 1.00 20.24 H new ATOM 0 HG23 THR A 92 -15.564 -5.509 8.105 1.00 20.24 H new ATOM 1293 N LYS A 93 -13.881 -3.688 4.175 1.00 34.31 N ATOM 1294 CA LYS A 93 -12.692 -3.922 3.356 1.00 63.01 C ATOM 1295 C LYS A 93 -11.638 -2.875 3.745 1.00 62.13 C ATOM 1296 O LYS A 93 -10.538 -3.247 4.149 1.00 33.44 O ATOM 1297 CB LYS A 93 -13.056 -3.939 1.847 1.00 2.02 C ATOM 1298 CG LYS A 93 -11.920 -4.489 0.956 1.00 41.12 C ATOM 1299 CD LYS A 93 -12.271 -5.611 -0.051 1.00 63.41 C ATOM 1300 CE LYS A 93 -13.248 -5.251 -1.178 1.00 62.35 C ATOM 1301 NZ LYS A 93 -13.017 -6.012 -2.446 1.00 0.15 N ATOM 0 H LYS A 93 -14.725 -3.507 3.632 1.00 34.31 H new ATOM 0 HA LYS A 93 -12.264 -4.907 3.544 1.00 63.01 H new ATOM 0 HB2 LYS A 93 -13.950 -4.546 1.702 1.00 2.02 H new ATOM 0 HB3 LYS A 93 -13.303 -2.927 1.527 1.00 2.02 H new ATOM 0 HG2 LYS A 93 -11.501 -3.654 0.394 1.00 41.12 H new ATOM 0 HG3 LYS A 93 -11.131 -4.861 1.610 1.00 41.12 H new ATOM 0 HD2 LYS A 93 -11.344 -5.962 -0.505 1.00 63.41 H new ATOM 0 HD3 LYS A 93 -12.690 -6.449 0.507 1.00 63.41 H new ATOM 0 HE2 LYS A 93 -14.266 -5.435 -0.836 1.00 62.35 H new ATOM 0 HE3 LYS A 93 -13.170 -4.184 -1.387 1.00 62.35 H new ATOM 0 HZ1 LYS A 93 -13.816 -5.859 -3.093 1.00 0.15 H new ATOM 0 HZ2 LYS A 93 -12.139 -5.681 -2.895 1.00 0.15 H new ATOM 0 HZ3 LYS A 93 -12.935 -7.026 -2.232 1.00 0.15 H new ATOM 1315 N THR A 94 -11.973 -1.587 3.691 1.00 2.42 N ATOM 1316 CA THR A 94 -11.081 -0.480 4.039 1.00 50.44 C ATOM 1317 C THR A 94 -10.542 -0.590 5.469 1.00 64.23 C ATOM 1318 O THR A 94 -9.327 -0.564 5.653 1.00 43.12 O ATOM 1319 CB THR A 94 -11.776 0.867 3.788 1.00 33.11 C ATOM 1320 OG1 THR A 94 -13.113 0.882 4.233 1.00 22.34 O ATOM 1321 CG2 THR A 94 -11.778 1.191 2.296 1.00 24.54 C ATOM 0 H THR A 94 -12.898 -1.275 3.396 1.00 2.42 H new ATOM 0 HA THR A 94 -10.210 -0.540 3.386 1.00 50.44 H new ATOM 0 HB THR A 94 -11.211 1.609 4.353 1.00 33.11 H new ATOM 0 HG1 THR A 94 -13.670 0.367 3.613 1.00 22.34 H new ATOM 0 HG21 THR A 94 -12.273 2.148 2.132 1.00 24.54 H new ATOM 0 HG22 THR A 94 -10.751 1.247 1.935 1.00 24.54 H new ATOM 0 HG23 THR A 94 -12.311 0.409 1.755 1.00 24.54 H new ATOM 1329 N SER A 95 -11.393 -0.797 6.475 1.00 62.33 N ATOM 1330 CA SER A 95 -10.940 -0.897 7.858 1.00 41.42 C ATOM 1331 C SER A 95 -9.992 -2.086 8.069 1.00 41.41 C ATOM 1332 O SER A 95 -9.074 -1.991 8.884 1.00 41.40 O ATOM 1333 CB SER A 95 -12.159 -0.979 8.788 1.00 3.51 C ATOM 1334 OG SER A 95 -11.802 -0.721 10.134 1.00 65.52 O ATOM 0 H SER A 95 -12.401 -0.898 6.355 1.00 62.33 H new ATOM 0 HA SER A 95 -10.366 -0.002 8.100 1.00 41.42 H new ATOM 0 HB2 SER A 95 -12.913 -0.260 8.466 1.00 3.51 H new ATOM 0 HB3 SER A 95 -12.609 -1.969 8.713 1.00 3.51 H new ATOM 0 HG SER A 95 -12.599 -0.779 10.701 1.00 65.52 H new ATOM 1340 N SER A 96 -10.163 -3.190 7.335 1.00 34.41 N ATOM 1341 CA SER A 96 -9.308 -4.360 7.506 1.00 11.23 C ATOM 1342 C SER A 96 -7.876 -4.140 7.003 1.00 54.24 C ATOM 1343 O SER A 96 -6.937 -4.714 7.554 1.00 2.43 O ATOM 1344 CB SER A 96 -9.982 -5.563 6.855 1.00 5.23 C ATOM 1345 OG SER A 96 -9.964 -5.491 5.436 1.00 61.01 O ATOM 0 H SER A 96 -10.884 -3.294 6.621 1.00 34.41 H new ATOM 0 HA SER A 96 -9.193 -4.551 8.573 1.00 11.23 H new ATOM 0 HB2 SER A 96 -9.480 -6.476 7.176 1.00 5.23 H new ATOM 0 HB3 SER A 96 -11.014 -5.629 7.200 1.00 5.23 H new ATOM 0 HG SER A 96 -10.172 -4.576 5.152 1.00 61.01 H new ATOM 1351 N ILE A 97 -7.702 -3.304 5.972 1.00 30.45 N ATOM 1352 CA ILE A 97 -6.414 -2.969 5.376 1.00 2.22 C ATOM 1353 C ILE A 97 -5.525 -2.388 6.465 1.00 45.45 C ATOM 1354 O ILE A 97 -4.383 -2.818 6.584 1.00 32.22 O ATOM 1355 CB ILE A 97 -6.618 -1.950 4.238 1.00 64.32 C ATOM 1356 CG1 ILE A 97 -7.226 -2.659 3.015 1.00 60.44 C ATOM 1357 CG2 ILE A 97 -5.348 -1.192 3.818 1.00 11.50 C ATOM 1358 CD1 ILE A 97 -8.120 -1.754 2.152 1.00 65.54 C ATOM 0 H ILE A 97 -8.483 -2.829 5.519 1.00 30.45 H new ATOM 0 HA ILE A 97 -5.943 -3.857 4.954 1.00 2.22 H new ATOM 0 HB ILE A 97 -7.295 -1.194 4.634 1.00 64.32 H new ATOM 0 HG12 ILE A 97 -6.419 -3.052 2.397 1.00 60.44 H new ATOM 0 HG13 ILE A 97 -7.811 -3.513 3.356 1.00 60.44 H new ATOM 0 HG21 ILE A 97 -5.588 -0.498 3.013 1.00 11.50 H new ATOM 0 HG22 ILE A 97 -4.957 -0.637 4.671 1.00 11.50 H new ATOM 0 HG23 ILE A 97 -4.597 -1.903 3.473 1.00 11.50 H new ATOM 0 HD11 ILE A 97 -8.511 -2.325 1.310 1.00 65.54 H new ATOM 0 HD12 ILE A 97 -8.949 -1.381 2.754 1.00 65.54 H new ATOM 0 HD13 ILE A 97 -7.535 -0.913 1.780 1.00 65.54 H new ATOM 1370 N ALA A 98 -6.030 -1.430 7.254 1.00 21.43 N ATOM 1371 CA ALA A 98 -5.252 -0.818 8.322 1.00 43.02 C ATOM 1372 C ALA A 98 -4.708 -1.883 9.267 1.00 72.25 C ATOM 1373 O ALA A 98 -3.539 -1.856 9.644 1.00 0.43 O ATOM 1374 CB ALA A 98 -6.098 0.194 9.095 1.00 31.21 C ATOM 0 H ALA A 98 -6.979 -1.066 7.166 1.00 21.43 H new ATOM 0 HA ALA A 98 -4.411 -0.292 7.871 1.00 43.02 H new ATOM 0 HB1 ALA A 98 -5.498 0.640 9.888 1.00 31.21 H new ATOM 0 HB2 ALA A 98 -6.441 0.975 8.417 1.00 31.21 H new ATOM 0 HB3 ALA A 98 -6.960 -0.310 9.532 1.00 31.21 H new ATOM 1380 N SER A 99 -5.549 -2.852 9.610 1.00 22.33 N ATOM 1381 CA SER A 99 -5.158 -3.927 10.505 1.00 2.44 C ATOM 1382 C SER A 99 -4.102 -4.821 9.832 1.00 5.41 C ATOM 1383 O SER A 99 -3.155 -5.243 10.499 1.00 15.25 O ATOM 1384 CB SER A 99 -6.418 -4.649 10.990 1.00 54.41 C ATOM 1385 OG SER A 99 -7.317 -3.692 11.540 1.00 4.21 O ATOM 0 H SER A 99 -6.511 -2.912 9.278 1.00 22.33 H new ATOM 0 HA SER A 99 -4.665 -3.547 11.400 1.00 2.44 H new ATOM 0 HB2 SER A 99 -6.891 -5.178 10.163 1.00 54.41 H new ATOM 0 HB3 SER A 99 -6.159 -5.397 11.740 1.00 54.41 H new ATOM 0 HG SER A 99 -8.128 -4.146 11.852 1.00 4.21 H new ATOM 1391 N ALA A 100 -4.206 -5.104 8.525 1.00 55.12 N ATOM 1392 CA ALA A 100 -3.205 -5.926 7.843 1.00 64.31 C ATOM 1393 C ALA A 100 -1.890 -5.137 7.695 1.00 12.23 C ATOM 1394 O ALA A 100 -0.808 -5.726 7.746 1.00 73.03 O ATOM 1395 CB ALA A 100 -3.750 -6.433 6.502 1.00 32.42 C ATOM 0 H ALA A 100 -4.966 -4.778 7.928 1.00 55.12 H new ATOM 0 HA ALA A 100 -2.984 -6.809 8.443 1.00 64.31 H new ATOM 0 HB1 ALA A 100 -2.993 -7.042 6.008 1.00 32.42 H new ATOM 0 HB2 ALA A 100 -4.643 -7.034 6.676 1.00 32.42 H new ATOM 0 HB3 ALA A 100 -4.002 -5.584 5.867 1.00 32.42 H new ATOM 1401 N LEU A 101 -1.968 -3.810 7.535 1.00 14.42 N ATOM 1402 CA LEU A 101 -0.830 -2.901 7.406 1.00 25.43 C ATOM 1403 C LEU A 101 -0.091 -2.848 8.734 1.00 52.04 C ATOM 1404 O LEU A 101 1.136 -2.896 8.735 1.00 24.53 O ATOM 1405 CB LEU A 101 -1.276 -1.470 7.054 1.00 71.20 C ATOM 1406 CG LEU A 101 -1.583 -1.246 5.568 1.00 34.14 C ATOM 1407 CD1 LEU A 101 -2.321 0.085 5.388 1.00 51.12 C ATOM 1408 CD2 LEU A 101 -0.298 -1.186 4.746 1.00 62.43 C ATOM 0 H LEU A 101 -2.864 -3.324 7.491 1.00 14.42 H new ATOM 0 HA LEU A 101 -0.193 -3.276 6.604 1.00 25.43 H new ATOM 0 HB2 LEU A 101 -2.165 -1.227 7.636 1.00 71.20 H new ATOM 0 HB3 LEU A 101 -0.495 -0.774 7.359 1.00 71.20 H new ATOM 0 HG LEU A 101 -2.196 -2.080 5.226 1.00 34.14 H new ATOM 0 HD11 LEU A 101 -2.538 0.241 4.331 1.00 51.12 H new ATOM 0 HD12 LEU A 101 -3.255 0.062 5.950 1.00 51.12 H new ATOM 0 HD13 LEU A 101 -1.697 0.900 5.754 1.00 51.12 H new ATOM 0 HD21 LEU A 101 -0.545 -1.026 3.696 1.00 62.43 H new ATOM 0 HD22 LEU A 101 0.323 -0.364 5.102 1.00 62.43 H new ATOM 0 HD23 LEU A 101 0.246 -2.125 4.852 1.00 62.43 H new ATOM 1420 N SER A 102 -0.834 -2.778 9.844 1.00 65.11 N ATOM 1421 CA SER A 102 -0.299 -2.732 11.194 1.00 24.11 C ATOM 1422 C SER A 102 0.662 -3.905 11.376 1.00 24.11 C ATOM 1423 O SER A 102 1.771 -3.729 11.878 1.00 42.31 O ATOM 1424 CB SER A 102 -1.467 -2.734 12.200 1.00 41.35 C ATOM 1425 OG SER A 102 -1.056 -2.473 13.527 1.00 22.45 O ATOM 0 H SER A 102 -1.853 -2.751 9.819 1.00 65.11 H new ATOM 0 HA SER A 102 0.268 -1.818 11.374 1.00 24.11 H new ATOM 0 HB2 SER A 102 -2.199 -1.985 11.899 1.00 41.35 H new ATOM 0 HB3 SER A 102 -1.968 -3.702 12.165 1.00 41.35 H new ATOM 0 HG SER A 102 -1.836 -2.485 14.120 1.00 22.45 H new ATOM 1431 N ASN A 103 0.248 -5.099 10.945 1.00 11.32 N ATOM 1432 CA ASN A 103 1.059 -6.303 11.037 1.00 54.31 C ATOM 1433 C ASN A 103 2.225 -6.269 10.053 1.00 40.24 C ATOM 1434 O ASN A 103 3.351 -6.594 10.424 1.00 75.45 O ATOM 1435 CB ASN A 103 0.171 -7.525 10.783 1.00 45.32 C ATOM 1436 CG ASN A 103 0.968 -8.807 10.989 1.00 2.03 C ATOM 1437 OD1 ASN A 103 1.394 -9.100 12.105 1.00 1.34 O ATOM 1438 ND2 ASN A 103 1.195 -9.575 9.943 1.00 40.03 N ATOM 0 H ASN A 103 -0.667 -5.253 10.520 1.00 11.32 H new ATOM 0 HA ASN A 103 1.486 -6.363 12.038 1.00 54.31 H new ATOM 0 HB2 ASN A 103 -0.685 -7.508 11.458 1.00 45.32 H new ATOM 0 HB3 ASN A 103 -0.223 -7.492 9.767 1.00 45.32 H new ATOM 0 HD21 ASN A 103 1.735 -10.434 10.049 1.00 40.03 H new ATOM 0 HD22 ASN A 103 0.831 -9.311 9.028 1.00 40.03 H new ATOM 1445 N ALA A 104 1.986 -5.844 8.805 1.00 2.45 N ATOM 1446 CA ALA A 104 3.036 -5.779 7.795 1.00 72.13 C ATOM 1447 C ALA A 104 4.189 -4.872 8.243 1.00 21.04 C ATOM 1448 O ALA A 104 5.343 -5.200 7.978 1.00 61.21 O ATOM 1449 CB ALA A 104 2.448 -5.363 6.442 1.00 65.25 C ATOM 0 H ALA A 104 1.070 -5.540 8.476 1.00 2.45 H new ATOM 0 HA ALA A 104 3.464 -6.774 7.671 1.00 72.13 H new ATOM 0 HB1 ALA A 104 3.243 -5.319 5.698 1.00 65.25 H new ATOM 0 HB2 ALA A 104 1.700 -6.092 6.131 1.00 65.25 H new ATOM 0 HB3 ALA A 104 1.982 -4.382 6.534 1.00 65.25 H new ATOM 1455 N PHE A 105 3.895 -3.776 8.953 1.00 44.34 N ATOM 1456 CA PHE A 105 4.881 -2.827 9.469 1.00 4.20 C ATOM 1457 C PHE A 105 5.850 -3.512 10.446 1.00 43.35 C ATOM 1458 O PHE A 105 7.030 -3.150 10.540 1.00 74.12 O ATOM 1459 CB PHE A 105 4.152 -1.679 10.189 1.00 31.14 C ATOM 1460 CG PHE A 105 4.294 -0.312 9.551 1.00 55.53 C ATOM 1461 CD1 PHE A 105 5.563 0.282 9.419 1.00 54.43 C ATOM 1462 CD2 PHE A 105 3.147 0.411 9.175 1.00 51.11 C ATOM 1463 CE1 PHE A 105 5.678 1.603 8.950 1.00 11.42 C ATOM 1464 CE2 PHE A 105 3.258 1.746 8.750 1.00 61.23 C ATOM 1465 CZ PHE A 105 4.524 2.351 8.657 1.00 71.41 C ATOM 0 H PHE A 105 2.936 -3.520 9.189 1.00 44.34 H new ATOM 0 HA PHE A 105 5.459 -2.438 8.631 1.00 4.20 H new ATOM 0 HB2 PHE A 105 3.092 -1.925 10.246 1.00 31.14 H new ATOM 0 HB3 PHE A 105 4.522 -1.623 11.213 1.00 31.14 H new ATOM 0 HD1 PHE A 105 6.450 -0.277 9.678 1.00 54.43 H new ATOM 0 HD2 PHE A 105 2.177 -0.062 9.213 1.00 51.11 H new ATOM 0 HE1 PHE A 105 6.655 2.044 8.815 1.00 11.42 H new ATOM 0 HE2 PHE A 105 2.371 2.307 8.495 1.00 61.23 H new ATOM 0 HZ PHE A 105 4.610 3.386 8.362 1.00 71.41 H new ATOM 1475 N LEU A 106 5.351 -4.498 11.198 1.00 4.11 N ATOM 1476 CA LEU A 106 6.148 -5.242 12.161 1.00 22.33 C ATOM 1477 C LEU A 106 7.097 -6.188 11.435 1.00 22.35 C ATOM 1478 O LEU A 106 8.223 -6.383 11.895 1.00 13.31 O ATOM 1479 CB LEU A 106 5.259 -6.007 13.150 1.00 51.22 C ATOM 1480 CG LEU A 106 4.298 -5.121 13.965 1.00 54.54 C ATOM 1481 CD1 LEU A 106 3.780 -5.926 15.150 1.00 61.10 C ATOM 1482 CD2 LEU A 106 4.920 -3.823 14.503 1.00 20.41 C ATOM 0 H LEU A 106 4.378 -4.799 11.151 1.00 4.11 H new ATOM 0 HA LEU A 106 6.738 -4.531 12.739 1.00 22.33 H new ATOM 0 HB2 LEU A 106 4.674 -6.743 12.598 1.00 51.22 H new ATOM 0 HB3 LEU A 106 5.897 -6.559 13.840 1.00 51.22 H new ATOM 0 HG LEU A 106 3.507 -4.824 13.277 1.00 54.54 H new ATOM 0 HD11 LEU A 106 3.098 -5.311 15.737 1.00 61.10 H new ATOM 0 HD12 LEU A 106 3.253 -6.809 14.788 1.00 61.10 H new ATOM 0 HD13 LEU A 106 4.618 -6.235 15.774 1.00 61.10 H new ATOM 0 HD21 LEU A 106 4.170 -3.265 15.063 1.00 20.41 H new ATOM 0 HD22 LEU A 106 5.757 -4.065 15.158 1.00 20.41 H new ATOM 0 HD23 LEU A 106 5.275 -3.217 13.670 1.00 20.41 H new ATOM 1494 N GLN A 107 6.689 -6.751 10.297 1.00 23.34 N ATOM 1495 CA GLN A 107 7.543 -7.651 9.530 1.00 35.00 C ATOM 1496 C GLN A 107 8.591 -6.858 8.732 1.00 32.31 C ATOM 1497 O GLN A 107 9.641 -7.411 8.398 1.00 24.13 O ATOM 1498 CB GLN A 107 6.689 -8.545 8.614 1.00 50.52 C ATOM 1499 CG GLN A 107 5.721 -9.465 9.376 1.00 73.52 C ATOM 1500 CD GLN A 107 6.430 -10.340 10.405 1.00 72.10 C ATOM 1501 OE1 GLN A 107 6.470 -10.010 11.584 1.00 4.54 O ATOM 1502 NE2 GLN A 107 7.009 -11.460 10.001 1.00 10.13 N ATOM 0 H GLN A 107 5.768 -6.597 9.887 1.00 23.34 H new ATOM 0 HA GLN A 107 8.082 -8.299 10.221 1.00 35.00 H new ATOM 0 HB2 GLN A 107 6.117 -7.913 7.935 1.00 50.52 H new ATOM 0 HB3 GLN A 107 7.350 -9.157 7.999 1.00 50.52 H new ATOM 0 HG2 GLN A 107 4.968 -8.858 9.878 1.00 73.52 H new ATOM 0 HG3 GLN A 107 5.195 -10.101 8.665 1.00 73.52 H new ATOM 0 HE21 GLN A 107 6.971 -11.728 9.017 1.00 10.13 H new ATOM 0 HE22 GLN A 107 7.493 -12.055 10.673 1.00 10.13 H new ATOM 1511 N THR A 108 8.362 -5.572 8.447 1.00 15.33 N ATOM 1512 CA THR A 108 9.311 -4.756 7.702 1.00 11.01 C ATOM 1513 C THR A 108 10.308 -4.064 8.622 1.00 25.10 C ATOM 1514 O THR A 108 11.512 -4.244 8.438 1.00 40.05 O ATOM 1515 CB THR A 108 8.586 -3.708 6.848 1.00 33.40 C ATOM 1516 OG1 THR A 108 7.636 -2.976 7.596 1.00 31.20 O ATOM 1517 CG2 THR A 108 7.857 -4.373 5.693 1.00 34.15 C ATOM 0 H THR A 108 7.517 -5.075 8.727 1.00 15.33 H new ATOM 0 HA THR A 108 9.861 -5.432 7.047 1.00 11.01 H new ATOM 0 HB THR A 108 9.353 -3.027 6.480 1.00 33.40 H new ATOM 0 HG1 THR A 108 7.198 -2.319 7.015 1.00 31.20 H new ATOM 0 HG21 THR A 108 7.349 -3.614 5.098 1.00 34.15 H new ATOM 0 HG22 THR A 108 8.574 -4.904 5.067 1.00 34.15 H new ATOM 0 HG23 THR A 108 7.124 -5.079 6.084 1.00 34.15 H new ATOM 1525 N THR A 109 9.823 -3.320 9.621 1.00 12.20 N ATOM 1526 CA THR A 109 10.673 -2.565 10.534 1.00 52.32 C ATOM 1527 C THR A 109 10.485 -2.846 12.026 1.00 54.51 C ATOM 1528 O THR A 109 11.190 -2.224 12.820 1.00 11.14 O ATOM 1529 CB THR A 109 10.540 -1.072 10.170 1.00 24.31 C ATOM 1530 OG1 THR A 109 9.183 -0.655 10.015 1.00 62.13 O ATOM 1531 CG2 THR A 109 11.248 -0.793 8.839 1.00 42.50 C ATOM 0 H THR A 109 8.826 -3.227 9.816 1.00 12.20 H new ATOM 0 HA THR A 109 11.697 -2.909 10.388 1.00 52.32 H new ATOM 0 HB THR A 109 10.989 -0.521 10.996 1.00 24.31 H new ATOM 0 HG1 THR A 109 9.158 0.298 9.787 1.00 62.13 H new ATOM 0 HG21 THR A 109 11.150 0.263 8.589 1.00 42.50 H new ATOM 0 HG22 THR A 109 12.304 -1.048 8.928 1.00 42.50 H new ATOM 0 HG23 THR A 109 10.794 -1.396 8.052 1.00 42.50 H new ATOM 1539 N GLY A 110 9.550 -3.715 12.427 1.00 50.12 N ATOM 1540 CA GLY A 110 9.328 -4.052 13.828 1.00 74.53 C ATOM 1541 C GLY A 110 8.549 -3.025 14.635 1.00 34.34 C ATOM 1542 O GLY A 110 8.256 -3.288 15.802 1.00 22.23 O ATOM 0 H GLY A 110 8.927 -4.203 11.783 1.00 50.12 H new ATOM 0 HA2 GLY A 110 8.797 -5.003 13.875 1.00 74.53 H new ATOM 0 HA3 GLY A 110 10.296 -4.204 14.305 1.00 74.53 H new ATOM 1546 N VAL A 111 8.172 -1.895 14.046 1.00 15.33 N ATOM 1547 CA VAL A 111 7.432 -0.835 14.707 1.00 32.32 C ATOM 1548 C VAL A 111 6.312 -0.369 13.782 1.00 41.33 C ATOM 1549 O VAL A 111 6.452 -0.434 12.556 1.00 72.43 O ATOM 1550 CB VAL A 111 8.400 0.284 15.123 1.00 0.11 C ATOM 1551 CG1 VAL A 111 9.266 -0.172 16.302 1.00 10.44 C ATOM 1552 CG2 VAL A 111 9.308 0.786 13.987 1.00 52.54 C ATOM 0 H VAL A 111 8.380 -1.689 13.069 1.00 15.33 H new ATOM 0 HA VAL A 111 6.962 -1.187 15.625 1.00 32.32 H new ATOM 0 HB VAL A 111 7.768 1.124 15.411 1.00 0.11 H new ATOM 0 HG11 VAL A 111 9.947 0.631 16.586 1.00 10.44 H new ATOM 0 HG12 VAL A 111 8.626 -0.421 17.149 1.00 10.44 H new ATOM 0 HG13 VAL A 111 9.842 -1.051 16.012 1.00 10.44 H new ATOM 0 HG21 VAL A 111 9.960 1.574 14.364 1.00 52.54 H new ATOM 0 HG22 VAL A 111 9.915 -0.039 13.614 1.00 52.54 H new ATOM 0 HG23 VAL A 111 8.694 1.179 13.177 1.00 52.54 H new ATOM 1562 N VAL A 112 5.198 0.069 14.370 1.00 42.13 N ATOM 1563 CA VAL A 112 4.015 0.533 13.663 1.00 62.35 C ATOM 1564 C VAL A 112 3.604 1.940 14.118 1.00 73.25 C ATOM 1565 O VAL A 112 3.678 2.267 15.306 1.00 33.11 O ATOM 1566 CB VAL A 112 2.917 -0.533 13.850 1.00 4.43 C ATOM 1567 CG1 VAL A 112 2.524 -0.794 15.314 1.00 24.00 C ATOM 1568 CG2 VAL A 112 1.667 -0.177 13.051 1.00 30.24 C ATOM 0 H VAL A 112 5.096 0.110 15.384 1.00 42.13 H new ATOM 0 HA VAL A 112 4.211 0.644 12.597 1.00 62.35 H new ATOM 0 HB VAL A 112 3.360 -1.456 13.475 1.00 4.43 H new ATOM 0 HG11 VAL A 112 1.746 -1.557 15.352 1.00 24.00 H new ATOM 0 HG12 VAL A 112 3.397 -1.138 15.869 1.00 24.00 H new ATOM 0 HG13 VAL A 112 2.150 0.127 15.760 1.00 24.00 H new ATOM 0 HG21 VAL A 112 0.908 -0.945 13.201 1.00 30.24 H new ATOM 0 HG22 VAL A 112 1.281 0.785 13.389 1.00 30.24 H new ATOM 0 HG23 VAL A 112 1.917 -0.116 11.992 1.00 30.24 H new ATOM 1578 N ASN A 113 3.068 2.733 13.184 1.00 3.00 N ATOM 1579 CA ASN A 113 2.599 4.097 13.380 1.00 65.03 C ATOM 1580 C ASN A 113 1.132 4.163 12.971 1.00 33.04 C ATOM 1581 O ASN A 113 0.822 4.131 11.781 1.00 43.12 O ATOM 1582 CB ASN A 113 3.415 5.095 12.534 1.00 24.22 C ATOM 1583 CG ASN A 113 4.716 5.548 13.180 1.00 42.32 C ATOM 1584 OD1 ASN A 113 4.726 5.942 14.345 1.00 73.44 O ATOM 1585 ND2 ASN A 113 5.806 5.580 12.439 1.00 2.03 N ATOM 0 H ASN A 113 2.946 2.418 12.222 1.00 3.00 H new ATOM 0 HA ASN A 113 2.721 4.369 14.429 1.00 65.03 H new ATOM 0 HB2 ASN A 113 3.642 4.637 11.571 1.00 24.22 H new ATOM 0 HB3 ASN A 113 2.799 5.971 12.333 1.00 24.22 H new ATOM 0 HD21 ASN A 113 6.678 5.936 12.830 1.00 2.03 H new ATOM 0 HD22 ASN A 113 5.777 5.249 11.475 1.00 2.03 H new ATOM 1592 N GLN A 114 0.218 4.256 13.940 1.00 22.43 N ATOM 1593 CA GLN A 114 -1.222 4.338 13.684 1.00 61.33 C ATOM 1594 C GLN A 114 -1.603 5.471 12.706 1.00 25.44 C ATOM 1595 O GLN A 114 -2.328 5.170 11.757 1.00 44.31 O ATOM 1596 CB GLN A 114 -2.000 4.450 15.003 1.00 14.05 C ATOM 1597 CG GLN A 114 -1.990 3.137 15.805 1.00 13.20 C ATOM 1598 CD GLN A 114 -2.927 2.057 15.262 1.00 64.53 C ATOM 1599 OE1 GLN A 114 -4.059 2.330 14.872 1.00 54.23 O ATOM 1600 NE2 GLN A 114 -2.500 0.806 15.248 1.00 2.42 N ATOM 0 H GLN A 114 0.458 4.277 14.931 1.00 22.43 H new ATOM 0 HA GLN A 114 -1.506 3.410 13.189 1.00 61.33 H new ATOM 0 HB2 GLN A 114 -1.568 5.246 15.610 1.00 14.05 H new ATOM 0 HB3 GLN A 114 -3.031 4.735 14.790 1.00 14.05 H new ATOM 0 HG2 GLN A 114 -0.974 2.744 15.822 1.00 13.20 H new ATOM 0 HG3 GLN A 114 -2.265 3.354 16.837 1.00 13.20 H new ATOM 0 HE21 GLN A 114 -1.559 0.585 15.573 1.00 2.42 H new ATOM 0 HE22 GLN A 114 -3.112 0.062 14.912 1.00 2.42 H new ATOM 1609 N PRO A 115 -1.156 6.739 12.854 1.00 33.33 N ATOM 1610 CA PRO A 115 -1.525 7.796 11.913 1.00 25.30 C ATOM 1611 C PRO A 115 -0.935 7.547 10.520 1.00 43.11 C ATOM 1612 O PRO A 115 -1.546 7.958 9.538 1.00 24.00 O ATOM 1613 CB PRO A 115 -1.054 9.113 12.528 1.00 33.35 C ATOM 1614 CG PRO A 115 0.108 8.674 13.405 1.00 4.01 C ATOM 1615 CD PRO A 115 -0.306 7.291 13.896 1.00 13.33 C ATOM 0 HA PRO A 115 -2.603 7.822 11.756 1.00 25.30 H new ATOM 0 HB2 PRO A 115 -0.740 9.826 11.766 1.00 33.35 H new ATOM 0 HB3 PRO A 115 -1.841 9.593 13.109 1.00 33.35 H new ATOM 0 HG2 PRO A 115 1.041 8.636 12.843 1.00 4.01 H new ATOM 0 HG3 PRO A 115 0.264 9.363 14.235 1.00 4.01 H new ATOM 0 HD2 PRO A 115 0.566 6.659 14.065 1.00 13.33 H new ATOM 0 HD3 PRO A 115 -0.841 7.356 14.843 1.00 13.33 H new ATOM 1623 N PHE A 116 0.214 6.863 10.411 1.00 1.24 N ATOM 1624 CA PHE A 116 0.804 6.569 9.106 1.00 24.54 C ATOM 1625 C PHE A 116 -0.143 5.625 8.356 1.00 50.11 C ATOM 1626 O PHE A 116 -0.220 5.626 7.135 1.00 74.41 O ATOM 1627 CB PHE A 116 2.202 5.953 9.261 1.00 53.22 C ATOM 1628 CG PHE A 116 2.984 5.901 7.961 1.00 55.20 C ATOM 1629 CD1 PHE A 116 2.711 4.903 7.003 1.00 45.22 C ATOM 1630 CD2 PHE A 116 3.944 6.892 7.683 1.00 51.34 C ATOM 1631 CE1 PHE A 116 3.363 4.931 5.756 1.00 65.13 C ATOM 1632 CE2 PHE A 116 4.618 6.898 6.450 1.00 23.14 C ATOM 1633 CZ PHE A 116 4.318 5.926 5.484 1.00 72.25 C ATOM 0 H PHE A 116 0.745 6.508 11.206 1.00 1.24 H new ATOM 0 HA PHE A 116 0.929 7.490 8.537 1.00 24.54 H new ATOM 0 HB2 PHE A 116 2.766 6.530 9.993 1.00 53.22 H new ATOM 0 HB3 PHE A 116 2.104 4.943 9.658 1.00 53.22 H new ATOM 0 HD1 PHE A 116 2.003 4.119 7.226 1.00 45.22 H new ATOM 0 HD2 PHE A 116 4.163 7.650 8.420 1.00 51.34 H new ATOM 0 HE1 PHE A 116 3.130 4.188 5.008 1.00 65.13 H new ATOM 0 HE2 PHE A 116 5.366 7.650 6.246 1.00 23.14 H new ATOM 0 HZ PHE A 116 4.822 5.942 4.529 1.00 72.25 H new ATOM 1643 N ILE A 117 -0.819 4.739 9.080 1.00 34.15 N ATOM 1644 CA ILE A 117 -1.780 3.821 8.496 1.00 15.33 C ATOM 1645 C ILE A 117 -3.068 4.604 8.187 1.00 74.44 C ATOM 1646 O ILE A 117 -3.691 4.359 7.161 1.00 43.43 O ATOM 1647 CB ILE A 117 -1.955 2.620 9.441 1.00 42.31 C ATOM 1648 CG1 ILE A 117 -0.639 1.814 9.432 1.00 41.22 C ATOM 1649 CG2 ILE A 117 -3.123 1.736 9.004 1.00 73.15 C ATOM 1650 CD1 ILE A 117 -0.562 0.777 10.544 1.00 53.35 C ATOM 0 H ILE A 117 -0.713 4.640 10.090 1.00 34.15 H new ATOM 0 HA ILE A 117 -1.444 3.402 7.547 1.00 15.33 H new ATOM 0 HB ILE A 117 -2.180 2.975 10.447 1.00 42.31 H new ATOM 0 HG12 ILE A 117 -0.534 1.313 8.470 1.00 41.22 H new ATOM 0 HG13 ILE A 117 0.201 2.502 9.527 1.00 41.22 H new ATOM 0 HG21 ILE A 117 -3.221 0.896 9.692 1.00 73.15 H new ATOM 0 HG22 ILE A 117 -4.044 2.320 9.011 1.00 73.15 H new ATOM 0 HG23 ILE A 117 -2.939 1.361 7.997 1.00 73.15 H new ATOM 0 HD11 ILE A 117 0.388 0.246 10.481 1.00 53.35 H new ATOM 0 HD12 ILE A 117 -0.636 1.274 11.511 1.00 53.35 H new ATOM 0 HD13 ILE A 117 -1.382 0.067 10.437 1.00 53.35 H new ATOM 1662 N ASN A 118 -3.448 5.558 9.044 1.00 51.52 N ATOM 1663 CA ASN A 118 -4.648 6.384 8.906 1.00 71.12 C ATOM 1664 C ASN A 118 -4.630 7.206 7.620 1.00 34.41 C ATOM 1665 O ASN A 118 -5.593 7.192 6.857 1.00 3.31 O ATOM 1666 CB ASN A 118 -4.771 7.317 10.118 1.00 74.01 C ATOM 1667 CG ASN A 118 -6.129 7.995 10.186 1.00 42.23 C ATOM 1668 OD1 ASN A 118 -6.960 7.593 10.988 1.00 13.41 O ATOM 1669 ND2 ASN A 118 -6.350 9.075 9.461 1.00 4.44 N ATOM 0 H ASN A 118 -2.909 5.782 9.880 1.00 51.52 H new ATOM 0 HA ASN A 118 -5.509 5.717 8.858 1.00 71.12 H new ATOM 0 HB2 ASN A 118 -4.606 6.746 11.032 1.00 74.01 H new ATOM 0 HB3 ASN A 118 -3.990 8.076 10.071 1.00 74.01 H new ATOM 0 HD21 ASN A 118 -7.225 9.589 9.565 1.00 4.44 H new ATOM 0 HD22 ASN A 118 -5.646 9.396 8.797 1.00 4.44 H new ATOM 1676 N GLU A 119 -3.541 7.936 7.374 1.00 0.34 N ATOM 1677 CA GLU A 119 -3.389 8.773 6.185 1.00 61.13 C ATOM 1678 C GLU A 119 -3.506 7.924 4.907 1.00 24.02 C ATOM 1679 O GLU A 119 -3.995 8.405 3.883 1.00 43.44 O ATOM 1680 CB GLU A 119 -2.067 9.562 6.278 1.00 24.13 C ATOM 1681 CG GLU A 119 -0.847 8.656 6.073 1.00 4.21 C ATOM 1682 CD GLU A 119 0.497 9.275 6.489 1.00 72.03 C ATOM 1683 OE1 GLU A 119 0.584 9.977 7.526 1.00 21.51 O ATOM 1684 OE2 GLU A 119 1.484 9.105 5.736 1.00 64.21 O ATOM 0 H GLU A 119 -2.735 7.963 7.999 1.00 0.34 H new ATOM 0 HA GLU A 119 -4.196 9.504 6.134 1.00 61.13 H new ATOM 0 HB2 GLU A 119 -2.062 10.353 5.528 1.00 24.13 H new ATOM 0 HB3 GLU A 119 -2.001 10.046 7.252 1.00 24.13 H new ATOM 0 HG2 GLU A 119 -0.997 7.736 6.638 1.00 4.21 H new ATOM 0 HG3 GLU A 119 -0.792 8.378 5.020 1.00 4.21 H new ATOM 1691 N ILE A 120 -3.060 6.666 4.967 1.00 34.31 N ATOM 1692 CA ILE A 120 -3.104 5.707 3.884 1.00 61.15 C ATOM 1693 C ILE A 120 -4.550 5.230 3.718 1.00 50.44 C ATOM 1694 O ILE A 120 -5.068 5.267 2.601 1.00 21.13 O ATOM 1695 CB ILE A 120 -2.121 4.549 4.196 1.00 53.00 C ATOM 1696 CG1 ILE A 120 -0.644 4.984 4.077 1.00 74.02 C ATOM 1697 CG2 ILE A 120 -2.414 3.284 3.380 1.00 33.25 C ATOM 1698 CD1 ILE A 120 -0.114 5.207 2.659 1.00 14.23 C ATOM 0 H ILE A 120 -2.642 6.281 5.814 1.00 34.31 H new ATOM 0 HA ILE A 120 -2.790 6.151 2.939 1.00 61.15 H new ATOM 0 HB ILE A 120 -2.290 4.287 5.240 1.00 53.00 H new ATOM 0 HG12 ILE A 120 -0.513 5.908 4.640 1.00 74.02 H new ATOM 0 HG13 ILE A 120 -0.025 4.227 4.558 1.00 74.02 H new ATOM 0 HG21 ILE A 120 -1.694 2.508 3.641 1.00 33.25 H new ATOM 0 HG22 ILE A 120 -3.422 2.933 3.602 1.00 33.25 H new ATOM 0 HG23 ILE A 120 -2.334 3.510 2.317 1.00 33.25 H new ATOM 0 HD11 ILE A 120 0.932 5.509 2.705 1.00 14.23 H new ATOM 0 HD12 ILE A 120 -0.200 4.282 2.089 1.00 14.23 H new ATOM 0 HD13 ILE A 120 -0.696 5.989 2.172 1.00 14.23 H new ATOM 1710 N THR A 121 -5.222 4.789 4.787 1.00 41.03 N ATOM 1711 CA THR A 121 -6.593 4.301 4.661 1.00 2.22 C ATOM 1712 C THR A 121 -7.562 5.373 4.194 1.00 72.42 C ATOM 1713 O THR A 121 -8.414 5.066 3.356 1.00 11.14 O ATOM 1714 CB THR A 121 -7.103 3.579 5.919 1.00 35.31 C ATOM 1715 OG1 THR A 121 -6.755 4.224 7.126 1.00 35.22 O ATOM 1716 CG2 THR A 121 -6.536 2.160 5.939 1.00 64.05 C ATOM 0 H THR A 121 -4.843 4.761 5.734 1.00 41.03 H new ATOM 0 HA THR A 121 -6.552 3.549 3.873 1.00 2.22 H new ATOM 0 HB THR A 121 -8.192 3.581 5.862 1.00 35.31 H new ATOM 0 HG1 THR A 121 -6.487 5.148 6.938 1.00 35.22 H new ATOM 0 HG21 THR A 121 -6.892 1.639 6.828 1.00 64.05 H new ATOM 0 HG22 THR A 121 -6.864 1.624 5.048 1.00 64.05 H new ATOM 0 HG23 THR A 121 -5.447 2.204 5.955 1.00 64.05 H new ATOM 1724 N GLN A 122 -7.428 6.613 4.663 1.00 62.25 N ATOM 1725 CA GLN A 122 -8.327 7.694 4.265 1.00 61.24 C ATOM 1726 C GLN A 122 -8.371 7.886 2.748 1.00 14.03 C ATOM 1727 O GLN A 122 -9.429 8.233 2.214 1.00 42.15 O ATOM 1728 CB GLN A 122 -7.954 8.996 4.991 1.00 11.24 C ATOM 1729 CG GLN A 122 -8.409 8.979 6.457 1.00 22.22 C ATOM 1730 CD GLN A 122 -9.924 8.871 6.574 1.00 53.05 C ATOM 1731 OE1 GLN A 122 -10.485 7.785 6.675 1.00 1.34 O ATOM 1732 NE2 GLN A 122 -10.647 9.970 6.466 1.00 54.15 N ATOM 0 H GLN A 122 -6.702 6.894 5.322 1.00 62.25 H new ATOM 0 HA GLN A 122 -9.336 7.411 4.565 1.00 61.24 H new ATOM 0 HB2 GLN A 122 -6.875 9.141 4.947 1.00 11.24 H new ATOM 0 HB3 GLN A 122 -8.411 9.842 4.478 1.00 11.24 H new ATOM 0 HG2 GLN A 122 -7.943 8.140 6.973 1.00 22.22 H new ATOM 0 HG3 GLN A 122 -8.069 9.887 6.954 1.00 22.22 H new ATOM 0 HE21 GLN A 122 -10.187 10.877 6.382 1.00 54.15 H new ATOM 0 HE22 GLN A 122 -11.665 9.913 6.467 1.00 54.15 H new ATOM 1741 N LEU A 123 -7.250 7.659 2.057 1.00 5.12 N ATOM 1742 CA LEU A 123 -7.174 7.787 0.607 1.00 45.13 C ATOM 1743 C LEU A 123 -8.036 6.710 -0.057 1.00 33.15 C ATOM 1744 O LEU A 123 -8.699 7.010 -1.048 1.00 65.41 O ATOM 1745 CB LEU A 123 -5.720 7.635 0.127 1.00 71.05 C ATOM 1746 CG LEU A 123 -4.788 8.815 0.449 1.00 33.13 C ATOM 1747 CD1 LEU A 123 -3.326 8.367 0.343 1.00 24.23 C ATOM 1748 CD2 LEU A 123 -4.991 9.988 -0.514 1.00 50.14 C ATOM 0 H LEU A 123 -6.370 7.381 2.492 1.00 5.12 H new ATOM 0 HA LEU A 123 -7.540 8.776 0.330 1.00 45.13 H new ATOM 0 HB2 LEU A 123 -5.302 6.733 0.573 1.00 71.05 H new ATOM 0 HB3 LEU A 123 -5.726 7.484 -0.952 1.00 71.05 H new ATOM 0 HG LEU A 123 -5.028 9.142 1.461 1.00 33.13 H new ATOM 0 HD11 LEU A 123 -2.670 9.207 0.572 1.00 24.23 H new ATOM 0 HD12 LEU A 123 -3.141 7.559 1.051 1.00 24.23 H new ATOM 0 HD13 LEU A 123 -3.125 8.016 -0.669 1.00 24.23 H new ATOM 0 HD21 LEU A 123 -4.312 10.798 -0.249 1.00 50.14 H new ATOM 0 HD22 LEU A 123 -4.785 9.662 -1.533 1.00 50.14 H new ATOM 0 HD23 LEU A 123 -6.020 10.340 -0.446 1.00 50.14 H new ATOM 1760 N VAL A 124 -8.057 5.480 0.478 1.00 5.43 N ATOM 1761 CA VAL A 124 -8.829 4.383 -0.082 1.00 32.50 C ATOM 1762 C VAL A 124 -10.326 4.719 -0.097 1.00 41.14 C ATOM 1763 O VAL A 124 -10.972 4.583 -1.136 1.00 60.31 O ATOM 1764 CB VAL A 124 -8.583 3.077 0.705 1.00 71.35 C ATOM 1765 CG1 VAL A 124 -9.110 1.861 -0.067 1.00 70.02 C ATOM 1766 CG2 VAL A 124 -7.111 2.774 1.027 1.00 31.31 C ATOM 0 H VAL A 124 -7.533 5.227 1.316 1.00 5.43 H new ATOM 0 HA VAL A 124 -8.498 4.234 -1.110 1.00 32.50 H new ATOM 0 HB VAL A 124 -9.114 3.245 1.642 1.00 71.35 H new ATOM 0 HG11 VAL A 124 -8.924 0.955 0.510 1.00 70.02 H new ATOM 0 HG12 VAL A 124 -10.182 1.972 -0.233 1.00 70.02 H new ATOM 0 HG13 VAL A 124 -8.600 1.791 -1.028 1.00 70.02 H new ATOM 0 HG21 VAL A 124 -7.045 1.837 1.581 1.00 31.31 H new ATOM 0 HG22 VAL A 124 -6.546 2.688 0.099 1.00 31.31 H new ATOM 0 HG23 VAL A 124 -6.697 3.582 1.630 1.00 31.31 H new ATOM 1776 N SER A 125 -10.892 5.142 1.039 1.00 72.31 N ATOM 1777 CA SER A 125 -12.311 5.473 1.113 1.00 4.43 C ATOM 1778 C SER A 125 -12.615 6.684 0.243 1.00 11.23 C ATOM 1779 O SER A 125 -13.590 6.648 -0.501 1.00 71.13 O ATOM 1780 CB SER A 125 -12.772 5.695 2.559 1.00 4.23 C ATOM 1781 OG SER A 125 -11.752 6.266 3.359 1.00 10.14 O ATOM 0 H SER A 125 -10.386 5.262 1.916 1.00 72.31 H new ATOM 0 HA SER A 125 -12.874 4.622 0.731 1.00 4.43 H new ATOM 0 HB2 SER A 125 -13.645 6.347 2.565 1.00 4.23 H new ATOM 0 HB3 SER A 125 -13.082 4.743 2.991 1.00 4.23 H new ATOM 0 HG SER A 125 -12.085 6.393 4.272 1.00 10.14 H new ATOM 1787 N MET A 126 -11.785 7.730 0.297 1.00 5.45 N ATOM 1788 CA MET A 126 -11.999 8.932 -0.497 1.00 3.11 C ATOM 1789 C MET A 126 -12.053 8.586 -1.990 1.00 22.24 C ATOM 1790 O MET A 126 -12.904 9.110 -2.708 1.00 12.40 O ATOM 1791 CB MET A 126 -10.901 9.954 -0.174 1.00 44.25 C ATOM 1792 CG MET A 126 -11.191 11.329 -0.786 1.00 24.42 C ATOM 1793 SD MET A 126 -9.960 12.600 -0.395 1.00 62.54 S ATOM 1794 CE MET A 126 -8.557 12.015 -1.383 1.00 30.10 C ATOM 0 H MET A 126 -10.955 7.763 0.888 1.00 5.45 H new ATOM 0 HA MET A 126 -12.960 9.379 -0.244 1.00 3.11 H new ATOM 0 HB2 MET A 126 -10.806 10.052 0.907 1.00 44.25 H new ATOM 0 HB3 MET A 126 -9.945 9.587 -0.546 1.00 44.25 H new ATOM 0 HG2 MET A 126 -11.255 11.224 -1.869 1.00 24.42 H new ATOM 0 HG3 MET A 126 -12.167 11.668 -0.440 1.00 24.42 H new ATOM 0 HE1 MET A 126 -7.764 12.762 -1.366 1.00 30.10 H new ATOM 0 HE2 MET A 126 -8.183 11.080 -0.966 1.00 30.10 H new ATOM 0 HE3 MET A 126 -8.879 11.851 -2.411 1.00 30.10 H new ATOM 1804 N PHE A 127 -11.169 7.701 -2.464 1.00 62.54 N ATOM 1805 CA PHE A 127 -11.152 7.308 -3.868 1.00 73.25 C ATOM 1806 C PHE A 127 -12.393 6.478 -4.202 1.00 14.10 C ATOM 1807 O PHE A 127 -13.105 6.794 -5.154 1.00 24.21 O ATOM 1808 CB PHE A 127 -9.847 6.570 -4.185 1.00 0.22 C ATOM 1809 CG PHE A 127 -9.647 6.209 -5.650 1.00 1.22 C ATOM 1810 CD1 PHE A 127 -8.720 6.924 -6.432 1.00 54.25 C ATOM 1811 CD2 PHE A 127 -10.362 5.146 -6.238 1.00 11.44 C ATOM 1812 CE1 PHE A 127 -8.483 6.549 -7.766 1.00 15.20 C ATOM 1813 CE2 PHE A 127 -10.117 4.764 -7.566 1.00 20.21 C ATOM 1814 CZ PHE A 127 -9.157 5.450 -8.324 1.00 74.14 C ATOM 0 H PHE A 127 -10.458 7.246 -1.892 1.00 62.54 H new ATOM 0 HA PHE A 127 -11.186 8.195 -4.500 1.00 73.25 H new ATOM 0 HB2 PHE A 127 -9.010 7.189 -3.862 1.00 0.22 H new ATOM 0 HB3 PHE A 127 -9.813 5.655 -3.594 1.00 0.22 H new ATOM 0 HD1 PHE A 127 -8.190 7.763 -6.006 1.00 54.25 H new ATOM 0 HD2 PHE A 127 -11.107 4.619 -5.660 1.00 11.44 H new ATOM 0 HE1 PHE A 127 -7.779 7.108 -8.365 1.00 15.20 H new ATOM 0 HE2 PHE A 127 -10.667 3.944 -8.003 1.00 20.21 H new ATOM 0 HZ PHE A 127 -8.937 5.135 -9.333 1.00 74.14 H new ATOM 1824 N ALA A 128 -12.670 5.436 -3.410 1.00 70.32 N ATOM 1825 CA ALA A 128 -13.809 4.550 -3.626 1.00 40.20 C ATOM 1826 C ALA A 128 -15.165 5.244 -3.512 1.00 15.11 C ATOM 1827 O ALA A 128 -16.142 4.746 -4.075 1.00 5.14 O ATOM 1828 CB ALA A 128 -13.766 3.401 -2.616 1.00 25.15 C ATOM 0 H ALA A 128 -12.105 5.186 -2.598 1.00 70.32 H new ATOM 0 HA ALA A 128 -13.717 4.189 -4.650 1.00 40.20 H new ATOM 0 HB1 ALA A 128 -14.618 2.741 -2.779 1.00 25.15 H new ATOM 0 HB2 ALA A 128 -12.841 2.839 -2.744 1.00 25.15 H new ATOM 0 HB3 ALA A 128 -13.808 3.804 -1.604 1.00 25.15 H new ATOM 1834 N GLN A 129 -15.249 6.370 -2.805 1.00 75.41 N ATOM 1835 CA GLN A 129 -16.487 7.108 -2.609 1.00 33.52 C ATOM 1836 C GLN A 129 -16.640 8.196 -3.668 1.00 52.32 C ATOM 1837 O GLN A 129 -17.699 8.270 -4.297 1.00 4.44 O ATOM 1838 CB GLN A 129 -16.537 7.637 -1.165 1.00 0.03 C ATOM 1839 CG GLN A 129 -16.750 6.449 -0.204 1.00 4.33 C ATOM 1840 CD GLN A 129 -16.410 6.687 1.264 1.00 22.21 C ATOM 1841 OE1 GLN A 129 -16.128 5.731 1.988 1.00 43.31 O ATOM 1842 NE2 GLN A 129 -16.437 7.911 1.756 1.00 21.54 N ATOM 0 H GLN A 129 -14.444 6.798 -2.347 1.00 75.41 H new ATOM 0 HA GLN A 129 -17.347 6.451 -2.740 1.00 33.52 H new ATOM 0 HB2 GLN A 129 -15.610 8.157 -0.922 1.00 0.03 H new ATOM 0 HB3 GLN A 129 -17.346 8.359 -1.056 1.00 0.03 H new ATOM 0 HG2 GLN A 129 -17.795 6.144 -0.266 1.00 4.33 H new ATOM 0 HG3 GLN A 129 -16.151 5.611 -0.561 1.00 4.33 H new ATOM 0 HE21 GLN A 129 -16.671 8.699 1.152 1.00 21.54 H new ATOM 0 HE22 GLN A 129 -16.224 8.070 2.741 1.00 21.54 H new