USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 617 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 69 ASN : amide:sc= 0.252 X(o=0.49,f=0.14) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.242 X(o=0.49,f=0.14) USER MOD Set 2.1: A 10 TYR OH : rot 104:sc= 2.97 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -4.61 K(o=-4.1,f=-9.8!) USER MOD Set 2.3: A 43 MET CE :methyl 167:sc= -2.49 (180deg=-1.92) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 5 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-0.0085) USER MOD Single : A 6 SER OG : rot 120:sc= 1.25 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 84:sc= 0.267 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -39:sc= 1.22 USER MOD Single : A 23 CYS SG : rot 69:sc= 0.252 USER MOD Single : A 24 ASN : amide:sc= 0.94 K(o=0.94,f=-0.67) USER MOD Single : A 27 THR OG1 : rot 160:sc= 0.343 USER MOD Single : A 28 SER OG : rot -155:sc= 0.484 USER MOD Single : A 29 SER OG : rot 4:sc= 0.221 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 1.68 (180deg=1.37) USER MOD Single : A 38 THR OG1 : rot 1:sc= 1.07 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -9.62! C(o=-9.6!,f=-13!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 125:sc= 0.8 USER MOD Single : A 54 TYR OH : rot -140:sc= -0.0442 USER MOD Single : A 55 TYR OH : rot 126:sc= 1.25 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.0688! (180deg=-0.829!) USER MOD Single : A 63 SER OG : rot 70:sc= 1.2 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 57:sc= 1.1 USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= -4.36! (180deg=-6.95!) USER MOD Single : A 78 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.2!) USER MOD Single : A 80 LYS NZ :NH3+ 149:sc= -0.929! (180deg=-4.81!) USER MOD Single : A 81 SER OG : rot 70:sc= 0.626 USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= 2.33 (180deg=1.11) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -2.270 2.510 10.500 1.00 0.00 N ATOM 36 CA LEU A 3 -1.288 3.140 9.685 1.00 0.00 C ATOM 37 C LEU A 3 -0.057 2.405 10.209 1.00 0.00 C ATOM 38 O LEU A 3 -0.155 1.221 10.546 1.00 0.00 O ATOM 39 CB LEU A 3 -1.319 4.669 9.949 1.00 0.00 C ATOM 40 CG LEU A 3 -2.367 5.431 9.124 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.385 6.902 9.540 1.00 0.00 C ATOM 42 CD2 LEU A 3 -2.022 5.443 7.643 1.00 0.00 C ATOM 0 HA LEU A 3 -1.384 3.079 8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.513 4.839 11.008 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.334 5.083 9.735 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.318 4.928 9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.130 7.437 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.635 6.978 10.598 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.402 7.341 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.788 5.992 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.056 5.927 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.974 4.419 7.272 1.00 0.00 H new ATOM 54 N LYS A 4 1.064 3.083 10.376 1.00 0.00 N ATOM 55 CA LYS A 4 2.310 2.614 10.931 1.00 0.00 C ATOM 56 C LYS A 4 3.258 3.784 10.896 1.00 0.00 C ATOM 57 O LYS A 4 2.881 4.951 10.785 1.00 0.00 O ATOM 58 CB LYS A 4 2.817 1.347 10.227 1.00 0.00 C ATOM 59 CG LYS A 4 3.087 0.249 11.260 1.00 0.00 C ATOM 60 CD LYS A 4 1.820 -0.321 11.901 1.00 0.00 C ATOM 61 CE LYS A 4 2.096 -1.301 13.025 1.00 0.00 C ATOM 62 NZ LYS A 4 1.009 -2.294 13.151 1.00 0.00 N ATOM 0 H LYS A 4 1.125 4.063 10.100 1.00 0.00 H new ATOM 0 HA LYS A 4 2.196 2.284 11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.079 1.003 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.729 1.569 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.636 -0.561 10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.730 0.650 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.217 0.501 12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.227 -0.819 11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.040 -1.814 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.207 -0.759 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.227 -2.950 13.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.113 -1.805 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.921 -2.827 12.262 1.00 0.00 H new ATOM 76 N HIS A 5 4.490 3.409 11.122 1.00 0.00 N ATOM 77 CA HIS A 5 5.672 4.212 11.250 1.00 0.00 C ATOM 78 C HIS A 5 6.705 3.854 10.231 1.00 0.00 C ATOM 79 O HIS A 5 7.583 4.632 9.878 1.00 0.00 O ATOM 80 CB HIS A 5 6.245 4.041 12.651 1.00 0.00 C ATOM 81 CG HIS A 5 5.244 3.600 13.685 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.213 4.335 14.228 1.00 0.00 N ATOM 83 CD2 HIS A 5 4.966 2.281 13.878 1.00 0.00 C ATOM 84 CE1 HIS A 5 3.339 3.460 14.759 1.00 0.00 C ATOM 85 NE2 HIS A 5 3.743 2.194 14.554 1.00 0.00 N ATOM 0 H HIS A 5 4.710 2.419 11.233 1.00 0.00 H new ATOM 0 HA HIS A 5 5.394 5.252 11.080 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.054 3.312 12.612 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.684 4.987 12.968 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.580 1.449 13.565 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.435 3.737 15.280 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.257 1.342 14.834 1.00 0.00 H new ATOM 93 N SER A 6 6.538 2.630 9.803 1.00 0.00 N ATOM 94 CA SER A 6 7.361 1.904 8.977 1.00 0.00 C ATOM 95 C SER A 6 6.537 1.030 8.073 1.00 0.00 C ATOM 96 O SER A 6 5.502 0.494 8.476 1.00 0.00 O ATOM 97 CB SER A 6 8.095 0.963 9.844 1.00 0.00 C ATOM 98 OG SER A 6 8.693 1.469 11.024 1.00 0.00 O ATOM 0 H SER A 6 5.717 2.090 10.078 1.00 0.00 H new ATOM 0 HA SER A 6 7.996 2.579 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.406 0.170 10.134 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.879 0.501 9.245 1.00 0.00 H new ATOM 0 HG SER A 6 8.319 1.008 11.804 1.00 0.00 H new ATOM 104 N ILE A 7 7.184 0.651 6.991 1.00 0.00 N ATOM 105 CA ILE A 7 6.785 -0.480 6.187 1.00 0.00 C ATOM 106 C ILE A 7 6.981 -1.779 6.998 1.00 0.00 C ATOM 107 O ILE A 7 6.535 -2.846 6.615 1.00 0.00 O ATOM 108 CB ILE A 7 7.400 -0.374 4.753 1.00 0.00 C ATOM 109 CG1 ILE A 7 7.644 -1.722 4.037 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.708 0.417 4.585 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.907 -1.674 2.738 1.00 0.00 C ATOM 0 H ILE A 7 8.015 1.129 6.642 1.00 0.00 H new ATOM 0 HA ILE A 7 5.718 -0.493 5.966 1.00 0.00 H new ATOM 0 HB ILE A 7 6.586 0.189 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.709 -1.881 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.291 -2.552 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.010 0.402 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.553 1.448 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.489 -0.037 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.055 -2.611 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.844 -1.529 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.284 -0.847 2.136 1.00 0.00 H new ATOM 123 N SER A 8 7.570 -1.729 8.188 1.00 0.00 N ATOM 124 CA SER A 8 8.109 -2.896 8.832 1.00 0.00 C ATOM 125 C SER A 8 7.595 -3.114 10.225 1.00 0.00 C ATOM 126 O SER A 8 7.804 -4.187 10.787 1.00 0.00 O ATOM 127 CB SER A 8 9.580 -2.805 8.700 1.00 0.00 C ATOM 128 OG SER A 8 10.373 -2.834 9.869 1.00 0.00 O ATOM 0 H SER A 8 7.682 -0.869 8.726 1.00 0.00 H new ATOM 0 HA SER A 8 7.763 -3.806 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.905 -3.626 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.807 -1.880 8.171 1.00 0.00 H new ATOM 0 HG SER A 8 11.320 -2.767 9.624 1.00 0.00 H new ATOM 134 N ASP A 9 6.879 -2.125 10.757 1.00 0.00 N ATOM 135 CA ASP A 9 6.032 -2.391 11.891 1.00 0.00 C ATOM 136 C ASP A 9 4.768 -3.096 11.414 1.00 0.00 C ATOM 137 O ASP A 9 4.004 -3.590 12.251 1.00 0.00 O ATOM 138 CB ASP A 9 5.722 -1.075 12.611 1.00 0.00 C ATOM 139 CG ASP A 9 6.887 -0.660 13.497 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.999 -1.214 14.608 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.630 0.234 13.029 1.00 0.00 O ATOM 0 H ASP A 9 6.874 -1.161 10.424 1.00 0.00 H new ATOM 0 HA ASP A 9 6.533 -3.047 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.519 -0.293 11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.822 -1.188 13.215 1.00 0.00 H new ATOM 146 N TYR A 10 4.552 -3.195 10.090 1.00 0.00 N ATOM 147 CA TYR A 10 3.386 -3.856 9.532 1.00 0.00 C ATOM 148 C TYR A 10 3.865 -5.012 8.644 1.00 0.00 C ATOM 149 O TYR A 10 4.989 -4.996 8.143 1.00 0.00 O ATOM 150 CB TYR A 10 2.389 -2.809 8.960 1.00 0.00 C ATOM 151 CG TYR A 10 2.566 -2.153 7.606 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.628 -2.496 6.775 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.651 -1.182 7.153 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.876 -1.853 5.574 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.893 -0.510 5.939 1.00 0.00 C ATOM 156 CZ TYR A 10 3.062 -0.790 5.197 1.00 0.00 C ATOM 157 OH TYR A 10 3.485 -0.047 4.156 1.00 0.00 O ATOM 0 H TYR A 10 5.187 -2.816 9.388 1.00 0.00 H new ATOM 0 HA TYR A 10 2.760 -4.351 10.274 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.411 -3.290 8.945 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.336 -2.001 9.690 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.286 -3.297 7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.769 -0.954 7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.689 -2.172 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.185 0.220 5.575 1.00 0.00 H new ATOM 0 HH TYR A 10 2.968 -0.280 3.357 1.00 0.00 H new ATOM 167 N THR A 11 3.111 -6.099 8.526 1.00 0.00 N ATOM 168 CA THR A 11 3.461 -7.164 7.595 1.00 0.00 C ATOM 169 C THR A 11 3.053 -6.744 6.193 1.00 0.00 C ATOM 170 O THR A 11 2.360 -5.761 5.943 1.00 0.00 O ATOM 171 CB THR A 11 2.949 -8.560 8.036 1.00 0.00 C ATOM 172 OG1 THR A 11 2.094 -9.212 7.115 1.00 0.00 O ATOM 173 CG2 THR A 11 2.212 -8.649 9.369 1.00 0.00 C ATOM 0 H THR A 11 2.258 -6.265 9.060 1.00 0.00 H new ATOM 0 HA THR A 11 4.542 -7.302 7.594 1.00 0.00 H new ATOM 0 HB THR A 11 3.920 -9.049 8.115 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.633 -9.679 6.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.912 -9.681 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.870 -8.316 10.172 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.327 -8.013 9.339 1.00 0.00 H new ATOM 181 N GLU A 12 3.478 -7.550 5.246 1.00 0.00 N ATOM 182 CA GLU A 12 3.151 -7.379 3.863 1.00 0.00 C ATOM 183 C GLU A 12 1.651 -7.555 3.582 1.00 0.00 C ATOM 184 O GLU A 12 1.111 -6.957 2.648 1.00 0.00 O ATOM 185 CB GLU A 12 4.009 -8.427 3.177 1.00 0.00 C ATOM 186 CG GLU A 12 4.033 -8.144 1.702 1.00 0.00 C ATOM 187 CD GLU A 12 4.326 -9.440 0.958 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.352 -10.189 0.735 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.495 -9.609 0.556 1.00 0.00 O ATOM 0 H GLU A 12 4.073 -8.358 5.428 1.00 0.00 H new ATOM 0 HA GLU A 12 3.351 -6.370 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.021 -8.409 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.609 -9.423 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.076 -7.733 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.794 -7.397 1.473 1.00 0.00 H new ATOM 196 N ALA A 13 0.976 -8.340 4.418 1.00 0.00 N ATOM 197 CA ALA A 13 -0.464 -8.560 4.348 1.00 0.00 C ATOM 198 C ALA A 13 -1.183 -7.446 5.095 1.00 0.00 C ATOM 199 O ALA A 13 -2.287 -7.065 4.733 1.00 0.00 O ATOM 200 CB ALA A 13 -0.812 -9.924 4.950 1.00 0.00 C ATOM 0 H ALA A 13 1.425 -8.851 5.178 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.785 -8.551 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.889 -10.082 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.301 -10.709 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.494 -9.954 5.992 1.00 0.00 H new ATOM 206 N GLU A 14 -0.515 -6.887 6.095 1.00 0.00 N ATOM 207 CA GLU A 14 -0.939 -5.730 6.854 1.00 0.00 C ATOM 208 C GLU A 14 -1.112 -4.532 5.919 1.00 0.00 C ATOM 209 O GLU A 14 -2.123 -3.841 5.950 1.00 0.00 O ATOM 210 CB GLU A 14 0.149 -5.494 7.914 1.00 0.00 C ATOM 211 CG GLU A 14 -0.447 -5.002 9.220 1.00 0.00 C ATOM 212 CD GLU A 14 0.435 -5.064 10.484 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.243 -6.005 10.645 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.385 -4.128 11.314 1.00 0.00 O ATOM 0 H GLU A 14 0.384 -7.252 6.411 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.904 -5.879 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.696 -6.420 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.868 -4.764 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.755 -3.966 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.351 -5.580 9.414 1.00 0.00 H new ATOM 221 N PHE A 15 -0.148 -4.327 5.025 1.00 0.00 N ATOM 222 CA PHE A 15 -0.210 -3.281 4.014 1.00 0.00 C ATOM 223 C PHE A 15 -1.113 -3.677 2.870 1.00 0.00 C ATOM 224 O PHE A 15 -1.700 -2.806 2.241 1.00 0.00 O ATOM 225 CB PHE A 15 1.185 -3.100 3.436 1.00 0.00 C ATOM 226 CG PHE A 15 1.443 -1.860 2.591 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.865 -0.618 2.914 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.410 -1.913 1.574 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.345 0.565 2.329 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.896 -0.736 0.985 1.00 0.00 C ATOM 231 CZ PHE A 15 2.390 0.509 1.390 1.00 0.00 C ATOM 0 H PHE A 15 0.703 -4.887 4.984 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.591 -2.373 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.894 -3.095 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.412 -3.975 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.046 -0.574 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.784 -2.870 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.912 1.517 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.658 -0.788 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.802 1.420 0.982 1.00 0.00 H new ATOM 241 N LEU A 16 -1.250 -4.973 2.579 1.00 0.00 N ATOM 242 CA LEU A 16 -2.181 -5.370 1.537 1.00 0.00 C ATOM 243 C LEU A 16 -3.591 -5.015 1.963 1.00 0.00 C ATOM 244 O LEU A 16 -4.396 -4.513 1.195 1.00 0.00 O ATOM 245 CB LEU A 16 -2.016 -6.861 1.285 1.00 0.00 C ATOM 246 CG LEU A 16 -2.880 -7.466 0.167 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.149 -6.584 -1.041 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.160 -8.695 -0.432 1.00 0.00 C ATOM 0 H LEU A 16 -0.747 -5.735 3.034 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.978 -4.841 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.969 -7.054 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.237 -7.390 2.212 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.825 -7.664 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.768 -7.125 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.668 -5.680 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.204 -6.313 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.772 -9.125 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.198 -8.389 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.002 -9.440 0.348 1.00 0.00 H new ATOM 260 N GLN A 17 -3.863 -5.198 3.238 1.00 0.00 N ATOM 261 CA GLN A 17 -5.059 -4.842 3.876 1.00 0.00 C ATOM 262 C GLN A 17 -5.189 -3.331 3.893 1.00 0.00 C ATOM 263 O GLN A 17 -6.280 -2.803 3.778 1.00 0.00 O ATOM 264 CB GLN A 17 -5.079 -5.449 5.286 1.00 0.00 C ATOM 265 CG GLN A 17 -6.197 -4.827 6.108 1.00 0.00 C ATOM 266 CD GLN A 17 -6.482 -5.493 7.452 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.069 -6.612 7.739 1.00 0.00 O ATOM 268 NE2 GLN A 17 -7.217 -4.806 8.312 1.00 0.00 N ATOM 0 H GLN A 17 -3.194 -5.630 3.875 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.919 -5.237 3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.220 -6.528 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.120 -5.281 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.952 -3.780 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.111 -4.843 5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.556 -3.876 8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.444 -5.206 9.222 1.00 0.00 H new ATOM 277 N LEU A 18 -4.085 -2.621 4.049 1.00 0.00 N ATOM 278 CA LEU A 18 -4.134 -1.182 4.142 1.00 0.00 C ATOM 279 C LEU A 18 -4.617 -0.629 2.785 1.00 0.00 C ATOM 280 O LEU A 18 -5.595 0.117 2.685 1.00 0.00 O ATOM 281 CB LEU A 18 -2.736 -0.685 4.528 1.00 0.00 C ATOM 282 CG LEU A 18 -2.738 0.798 4.907 1.00 0.00 C ATOM 283 CD1 LEU A 18 -2.750 0.987 6.427 1.00 0.00 C ATOM 284 CD2 LEU A 18 -1.568 1.544 4.276 1.00 0.00 C ATOM 0 H LEU A 18 -3.149 -3.021 4.113 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.831 -0.835 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.361 -1.273 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.052 -0.845 3.695 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.657 1.228 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.751 2.052 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.643 0.523 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.864 0.521 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.605 2.593 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.630 1.105 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.631 1.468 3.190 1.00 0.00 H new ATOM 296 N VAL A 19 -4.000 -1.135 1.715 1.00 0.00 N ATOM 297 CA VAL A 19 -4.371 -0.840 0.320 1.00 0.00 C ATOM 298 C VAL A 19 -5.869 -1.210 0.190 1.00 0.00 C ATOM 299 O VAL A 19 -6.637 -0.475 -0.421 1.00 0.00 O ATOM 300 CB VAL A 19 -3.516 -1.729 -0.549 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.031 -1.612 -1.966 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.068 -1.242 -0.455 1.00 0.00 C ATOM 0 H VAL A 19 -3.210 -1.776 1.791 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.220 0.200 0.030 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.557 -2.771 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.434 -2.244 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.072 -1.932 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.959 -0.575 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.431 -1.872 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.008 -0.210 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.732 -1.297 0.581 1.00 0.00 H new ATOM 312 N THR A 20 -6.307 -2.330 0.784 1.00 0.00 N ATOM 313 CA THR A 20 -7.678 -2.817 0.717 1.00 0.00 C ATOM 314 C THR A 20 -8.638 -1.983 1.577 1.00 0.00 C ATOM 315 O THR A 20 -9.806 -1.967 1.235 1.00 0.00 O ATOM 316 CB THR A 20 -7.723 -4.343 1.002 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.445 -4.994 -0.025 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.335 -4.829 2.317 1.00 0.00 C ATOM 0 H THR A 20 -5.696 -2.932 1.336 1.00 0.00 H new ATOM 0 HA THR A 20 -8.047 -2.682 -0.300 1.00 0.00 H new ATOM 0 HB THR A 20 -6.663 -4.589 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.472 -5.957 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.289 -5.917 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.778 -4.409 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.375 -4.508 2.375 1.00 0.00 H new ATOM 326 N THR A 21 -8.189 -1.256 2.607 1.00 0.00 N ATOM 327 CA THR A 21 -8.884 -0.205 3.357 1.00 0.00 C ATOM 328 C THR A 21 -9.146 0.992 2.420 1.00 0.00 C ATOM 329 O THR A 21 -10.139 1.700 2.576 1.00 0.00 O ATOM 330 CB THR A 21 -7.998 0.154 4.580 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.375 -0.497 5.784 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.754 1.658 4.781 1.00 0.00 C ATOM 0 H THR A 21 -7.246 -1.402 2.968 1.00 0.00 H new ATOM 0 HA THR A 21 -9.858 -0.528 3.725 1.00 0.00 H new ATOM 0 HB THR A 21 -7.027 -0.260 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.352 -0.536 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.126 1.811 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.255 2.066 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.708 2.165 4.925 1.00 0.00 H new ATOM 340 N ILE A 22 -8.287 1.220 1.426 1.00 0.00 N ATOM 341 CA ILE A 22 -8.351 2.347 0.488 1.00 0.00 C ATOM 342 C ILE A 22 -9.238 1.946 -0.679 1.00 0.00 C ATOM 343 O ILE A 22 -10.170 2.664 -1.025 1.00 0.00 O ATOM 344 CB ILE A 22 -6.963 2.764 -0.049 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.851 2.541 0.979 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.002 4.222 -0.495 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.593 3.360 0.808 1.00 0.00 C ATOM 0 H ILE A 22 -7.496 0.602 1.243 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.754 3.206 1.025 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.731 2.128 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.258 2.745 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.576 1.487 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.022 4.513 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.745 4.342 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.267 4.855 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.885 3.109 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.146 3.142 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.839 4.420 0.864 1.00 0.00 H new ATOM 359 N CYS A 23 -9.008 0.741 -1.204 1.00 0.00 N ATOM 360 CA CYS A 23 -9.947 0.071 -2.079 1.00 0.00 C ATOM 361 C CYS A 23 -11.251 -0.213 -1.323 1.00 0.00 C ATOM 362 O CYS A 23 -12.211 -0.609 -1.982 1.00 0.00 O ATOM 363 CB CYS A 23 -9.334 -1.179 -2.761 1.00 0.00 C ATOM 364 SG CYS A 23 -7.713 -0.761 -3.471 1.00 0.00 S ATOM 0 H CYS A 23 -8.157 0.207 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.191 0.737 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.226 -1.985 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.001 -1.542 -3.543 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.864 -0.536 -2.512 1.00 0.00 H new ATOM 369 N ASN A 24 -11.318 0.018 0.007 1.00 0.00 N ATOM 370 CA ASN A 24 -12.615 -0.020 0.691 1.00 0.00 C ATOM 371 C ASN A 24 -13.207 1.379 0.905 1.00 0.00 C ATOM 372 O ASN A 24 -14.432 1.473 0.927 1.00 0.00 O ATOM 373 CB ASN A 24 -12.527 -0.706 2.059 1.00 0.00 C ATOM 374 CG ASN A 24 -13.271 -2.024 2.237 1.00 0.00 C ATOM 375 OD1 ASN A 24 -13.603 -2.732 1.292 1.00 0.00 O ATOM 376 ND2 ASN A 24 -13.553 -2.393 3.479 1.00 0.00 N ATOM 0 H ASN A 24 -10.517 0.225 0.604 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.265 -0.593 0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.474 -0.882 2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.897 -0.007 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.048 -3.268 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.275 -1.802 4.262 1.00 0.00 H new ATOM 383 N ALA A 25 -12.390 2.426 1.155 1.00 0.00 N ATOM 384 CA ALA A 25 -12.835 3.709 1.739 1.00 0.00 C ATOM 385 C ALA A 25 -13.445 3.453 3.123 1.00 0.00 C ATOM 386 O ALA A 25 -14.299 4.189 3.602 1.00 0.00 O ATOM 387 CB ALA A 25 -13.762 4.446 0.748 1.00 0.00 C ATOM 0 H ALA A 25 -11.390 2.403 0.954 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.993 4.382 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.085 5.390 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.222 4.642 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.634 3.827 0.536 1.00 0.00 H new ATOM 393 N ASP A 26 -12.830 2.488 3.809 1.00 0.00 N ATOM 394 CA ASP A 26 -12.911 1.912 5.168 1.00 0.00 C ATOM 395 C ASP A 26 -12.709 2.907 6.316 1.00 0.00 C ATOM 396 O ASP A 26 -12.494 2.576 7.477 1.00 0.00 O ATOM 397 CB ASP A 26 -11.770 0.927 5.187 1.00 0.00 C ATOM 398 CG ASP A 26 -11.905 -0.292 6.081 1.00 0.00 C ATOM 399 OD1 ASP A 26 -12.912 -1.019 5.906 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.892 -0.598 6.744 1.00 0.00 O ATOM 0 H ASP A 26 -12.100 1.979 3.310 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.908 1.505 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.611 0.578 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.869 1.463 5.485 1.00 0.00 H new ATOM 405 N THR A 27 -12.703 4.159 5.912 1.00 0.00 N ATOM 406 CA THR A 27 -12.128 5.302 6.576 1.00 0.00 C ATOM 407 C THR A 27 -13.098 6.376 7.059 1.00 0.00 C ATOM 408 O THR A 27 -14.322 6.239 6.994 1.00 0.00 O ATOM 409 CB THR A 27 -11.051 5.835 5.625 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.613 6.693 4.659 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.206 4.790 4.884 1.00 0.00 C ATOM 0 H THR A 27 -13.141 4.423 5.030 1.00 0.00 H new ATOM 0 HA THR A 27 -11.714 4.979 7.531 1.00 0.00 H new ATOM 0 HB THR A 27 -10.371 6.353 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.911 7.261 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.482 5.295 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.679 4.168 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.856 4.164 4.273 1.00 0.00 H new ATOM 419 N SER A 28 -12.517 7.505 7.486 1.00 0.00 N ATOM 420 CA SER A 28 -13.214 8.765 7.683 1.00 0.00 C ATOM 421 C SER A 28 -14.058 9.187 6.498 1.00 0.00 C ATOM 422 O SER A 28 -14.964 9.998 6.676 1.00 0.00 O ATOM 423 CB SER A 28 -12.215 9.831 8.062 1.00 0.00 C ATOM 424 OG SER A 28 -11.150 9.893 7.159 1.00 0.00 O ATOM 0 H SER A 28 -11.523 7.560 7.707 1.00 0.00 H new ATOM 0 HA SER A 28 -13.926 8.621 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.715 10.799 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.831 9.630 9.062 1.00 0.00 H new ATOM 0 HG SER A 28 -10.366 10.278 7.604 1.00 0.00 H new ATOM 430 N SER A 29 -13.708 8.637 5.334 1.00 0.00 N ATOM 431 CA SER A 29 -14.531 8.465 4.132 1.00 0.00 C ATOM 432 C SER A 29 -14.149 9.234 2.894 1.00 0.00 C ATOM 433 O SER A 29 -14.712 8.999 1.828 1.00 0.00 O ATOM 434 CB SER A 29 -15.985 8.602 4.365 1.00 0.00 C ATOM 435 OG SER A 29 -16.508 7.743 5.375 1.00 0.00 O ATOM 0 H SER A 29 -12.766 8.270 5.195 1.00 0.00 H new ATOM 0 HA SER A 29 -14.288 7.426 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.200 9.635 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.510 8.404 3.430 1.00 0.00 H new ATOM 0 HG SER A 29 -15.775 7.242 5.790 1.00 0.00 H new ATOM 441 N GLU A 30 -13.144 10.079 3.019 1.00 0.00 N ATOM 442 CA GLU A 30 -12.490 10.610 1.834 1.00 0.00 C ATOM 443 C GLU A 30 -11.045 11.029 2.102 1.00 0.00 C ATOM 444 O GLU A 30 -10.235 11.289 1.220 1.00 0.00 O ATOM 445 CB GLU A 30 -13.339 11.800 1.316 1.00 0.00 C ATOM 446 CG GLU A 30 -12.947 12.413 -0.038 1.00 0.00 C ATOM 447 CD GLU A 30 -13.865 13.594 -0.395 1.00 0.00 C ATOM 448 OE1 GLU A 30 -13.762 14.641 0.288 1.00 0.00 O ATOM 449 OE2 GLU A 30 -14.669 13.455 -1.346 1.00 0.00 O ATOM 0 H GLU A 30 -12.767 10.408 3.908 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.430 9.829 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.376 11.470 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.304 12.590 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.911 12.751 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.007 11.653 -0.817 1.00 0.00 H new ATOM 456 N GLU A 31 -10.684 10.944 3.366 1.00 0.00 N ATOM 457 CA GLU A 31 -9.592 11.673 3.948 1.00 0.00 C ATOM 458 C GLU A 31 -8.408 10.877 4.343 1.00 0.00 C ATOM 459 O GLU A 31 -7.348 10.969 3.748 1.00 0.00 O ATOM 460 CB GLU A 31 -10.262 12.322 5.076 1.00 0.00 C ATOM 461 CG GLU A 31 -9.523 13.248 6.018 1.00 0.00 C ATOM 462 CD GLU A 31 -8.839 12.512 7.189 1.00 0.00 C ATOM 463 OE1 GLU A 31 -9.536 11.751 7.898 1.00 0.00 O ATOM 464 OE2 GLU A 31 -7.610 12.645 7.385 1.00 0.00 O ATOM 0 H GLU A 31 -11.165 10.342 4.034 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.121 12.351 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.094 12.892 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.691 11.528 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.770 13.800 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.223 13.981 6.419 1.00 0.00 H new ATOM 471 N GLU A 32 -8.691 10.044 5.321 1.00 0.00 N ATOM 472 CA GLU A 32 -7.942 8.868 5.631 1.00 0.00 C ATOM 473 C GLU A 32 -7.656 8.190 4.328 1.00 0.00 C ATOM 474 O GLU A 32 -6.558 7.762 4.153 1.00 0.00 O ATOM 475 CB GLU A 32 -8.718 7.968 6.498 1.00 0.00 C ATOM 476 CG GLU A 32 -8.524 8.327 7.950 1.00 0.00 C ATOM 477 CD GLU A 32 -7.317 7.802 8.714 1.00 0.00 C ATOM 478 OE1 GLU A 32 -6.467 7.105 8.134 1.00 0.00 O ATOM 479 OE2 GLU A 32 -7.181 8.267 9.871 1.00 0.00 O ATOM 0 H GLU A 32 -9.487 10.184 5.943 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.025 9.125 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.775 8.030 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.409 6.936 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.498 9.415 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.414 7.998 8.486 1.00 0.00 H new ATOM 486 N LEU A 33 -8.576 8.167 3.374 1.00 0.00 N ATOM 487 CA LEU A 33 -8.344 7.629 2.055 1.00 0.00 C ATOM 488 C LEU A 33 -7.147 8.255 1.363 1.00 0.00 C ATOM 489 O LEU A 33 -6.196 7.546 1.077 1.00 0.00 O ATOM 490 CB LEU A 33 -9.611 7.835 1.243 1.00 0.00 C ATOM 491 CG LEU A 33 -10.499 6.633 1.540 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.932 7.126 1.663 1.00 0.00 C ATOM 493 CD2 LEU A 33 -10.262 5.646 0.391 1.00 0.00 C ATOM 0 H LEU A 33 -9.520 8.530 3.505 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.107 6.569 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.107 8.765 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.386 7.901 0.178 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.276 6.123 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.590 6.283 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.999 7.852 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.236 7.597 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.873 4.756 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.535 6.116 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.210 5.364 0.365 1.00 0.00 H new ATOM 505 N VAL A 34 -7.164 9.564 1.133 1.00 0.00 N ATOM 506 CA VAL A 34 -6.033 10.338 0.613 1.00 0.00 C ATOM 507 C VAL A 34 -4.784 10.159 1.486 1.00 0.00 C ATOM 508 O VAL A 34 -3.648 10.223 1.024 1.00 0.00 O ATOM 509 CB VAL A 34 -6.473 11.790 0.485 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.353 12.837 0.381 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.414 11.959 -0.710 1.00 0.00 C ATOM 0 H VAL A 34 -7.990 10.137 1.308 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.743 9.975 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.973 11.991 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.791 13.831 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.729 12.792 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.743 12.631 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.720 13.002 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.899 11.663 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.295 11.332 -0.571 1.00 0.00 H new ATOM 521 N LYS A 35 -4.989 9.904 2.766 1.00 0.00 N ATOM 522 CA LYS A 35 -3.962 9.821 3.780 1.00 0.00 C ATOM 523 C LYS A 35 -3.370 8.420 3.850 1.00 0.00 C ATOM 524 O LYS A 35 -2.189 8.295 4.152 1.00 0.00 O ATOM 525 CB LYS A 35 -4.590 10.393 5.042 1.00 0.00 C ATOM 526 CG LYS A 35 -3.808 10.002 6.264 1.00 0.00 C ATOM 527 CD LYS A 35 -4.293 10.732 7.506 1.00 0.00 C ATOM 528 CE LYS A 35 -5.344 9.922 8.234 1.00 0.00 C ATOM 529 NZ LYS A 35 -6.380 10.741 8.899 1.00 0.00 N ATOM 0 H LYS A 35 -5.924 9.742 3.141 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.071 10.412 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.635 11.480 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.616 10.037 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.892 8.926 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.752 10.220 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.451 10.924 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.705 11.701 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.827 9.250 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.854 9.298 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.962 10.135 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.924 11.478 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.984 11.187 8.180 1.00 0.00 H new ATOM 543 N LEU A 36 -4.125 7.384 3.518 1.00 0.00 N ATOM 544 CA LEU A 36 -3.762 6.008 3.415 1.00 0.00 C ATOM 545 C LEU A 36 -3.143 5.848 2.052 1.00 0.00 C ATOM 546 O LEU A 36 -2.214 5.065 1.917 1.00 0.00 O ATOM 547 CB LEU A 36 -5.069 5.212 3.638 1.00 0.00 C ATOM 548 CG LEU A 36 -5.341 5.214 5.149 1.00 0.00 C ATOM 549 CD1 LEU A 36 -6.784 4.922 5.470 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.491 4.197 5.900 1.00 0.00 C ATOM 0 H LEU A 36 -5.111 7.519 3.293 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.035 5.646 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.897 5.669 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.969 4.193 3.265 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.081 6.221 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.926 4.934 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.419 5.680 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.052 3.940 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.725 4.242 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.704 3.196 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.435 4.424 5.751 1.00 0.00 H new ATOM 562 N VAL A 37 -3.605 6.638 1.077 1.00 0.00 N ATOM 563 CA VAL A 37 -2.962 6.772 -0.203 1.00 0.00 C ATOM 564 C VAL A 37 -1.547 7.272 0.077 1.00 0.00 C ATOM 565 O VAL A 37 -0.598 6.611 -0.305 1.00 0.00 O ATOM 566 CB VAL A 37 -3.788 7.690 -1.136 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.992 8.433 -2.207 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.895 6.912 -1.847 1.00 0.00 C ATOM 0 H VAL A 37 -4.449 7.204 1.171 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.901 5.826 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.189 8.437 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.668 9.046 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.248 9.072 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.491 7.712 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.456 7.586 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.453 6.117 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.567 6.477 -1.107 1.00 0.00 H new ATOM 578 N THR A 38 -1.382 8.366 0.818 1.00 0.00 N ATOM 579 CA THR A 38 -0.069 8.945 1.071 1.00 0.00 C ATOM 580 C THR A 38 0.770 8.019 1.939 1.00 0.00 C ATOM 581 O THR A 38 1.949 7.836 1.672 1.00 0.00 O ATOM 582 CB THR A 38 -0.170 10.381 1.554 1.00 0.00 C ATOM 583 OG1 THR A 38 0.337 11.332 0.634 1.00 0.00 O ATOM 584 CG2 THR A 38 0.464 10.688 2.918 1.00 0.00 C ATOM 0 H THR A 38 -2.151 8.872 1.257 1.00 0.00 H new ATOM 0 HA THR A 38 0.478 9.024 0.131 1.00 0.00 H new ATOM 0 HB THR A 38 -1.251 10.477 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.648 10.872 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.328 11.744 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.014 10.080 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.529 10.459 2.884 1.00 0.00 H new ATOM 592 N HIS A 39 0.177 7.378 2.951 1.00 0.00 N ATOM 593 CA HIS A 39 0.857 6.330 3.680 1.00 0.00 C ATOM 594 C HIS A 39 1.303 5.205 2.756 1.00 0.00 C ATOM 595 O HIS A 39 2.311 4.561 3.034 1.00 0.00 O ATOM 596 CB HIS A 39 -0.051 5.769 4.752 1.00 0.00 C ATOM 597 CG HIS A 39 0.715 5.128 5.868 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.714 5.730 6.597 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.426 3.925 6.448 1.00 0.00 C ATOM 600 CE1 HIS A 39 1.999 4.920 7.621 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.221 3.824 7.588 1.00 0.00 N ATOM 0 H HIS A 39 -0.770 7.574 3.275 1.00 0.00 H new ATOM 0 HA HIS A 39 1.743 6.769 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.673 6.569 5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.724 5.035 4.308 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.155 6.627 6.394 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.283 3.193 6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.750 5.118 8.371 1.00 0.00 H new ATOM 609 N PHE A 40 0.562 4.952 1.676 1.00 0.00 N ATOM 610 CA PHE A 40 1.013 4.001 0.693 1.00 0.00 C ATOM 611 C PHE A 40 2.203 4.579 -0.043 1.00 0.00 C ATOM 612 O PHE A 40 3.216 3.898 -0.095 1.00 0.00 O ATOM 613 CB PHE A 40 -0.079 3.538 -0.269 1.00 0.00 C ATOM 614 CG PHE A 40 0.429 2.361 -1.056 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.254 2.555 -2.175 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.203 1.066 -0.577 1.00 0.00 C ATOM 617 CE1 PHE A 40 1.776 1.443 -2.846 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.734 -0.045 -1.251 1.00 0.00 C ATOM 619 CZ PHE A 40 1.485 0.140 -2.414 1.00 0.00 C ATOM 0 H PHE A 40 -0.336 5.390 1.473 1.00 0.00 H new ATOM 0 HA PHE A 40 1.309 3.096 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.976 3.262 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.357 4.349 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.484 3.554 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.384 0.920 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.411 1.590 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.562 -1.041 -0.871 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.839 -0.712 -2.976 1.00 0.00 H new ATOM 629 N GLU A 41 2.090 5.791 -0.595 1.00 0.00 N ATOM 630 CA GLU A 41 3.143 6.475 -1.338 1.00 0.00 C ATOM 631 C GLU A 41 4.464 6.502 -0.588 1.00 0.00 C ATOM 632 O GLU A 41 5.527 6.278 -1.169 1.00 0.00 O ATOM 633 CB GLU A 41 2.754 7.871 -1.767 1.00 0.00 C ATOM 634 CG GLU A 41 1.465 8.099 -2.554 1.00 0.00 C ATOM 635 CD GLU A 41 1.180 9.594 -2.747 1.00 0.00 C ATOM 636 OE1 GLU A 41 0.905 10.291 -1.741 1.00 0.00 O ATOM 637 OE2 GLU A 41 1.189 10.027 -3.923 1.00 0.00 O ATOM 0 H GLU A 41 1.232 6.338 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 41 3.281 5.881 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.696 8.482 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.574 8.265 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.541 7.614 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.630 7.633 -2.030 1.00 0.00 H new ATOM 644 N GLU A 42 4.368 6.770 0.706 1.00 0.00 N ATOM 645 CA GLU A 42 5.468 6.881 1.620 1.00 0.00 C ATOM 646 C GLU A 42 6.136 5.516 1.789 1.00 0.00 C ATOM 647 O GLU A 42 7.255 5.221 1.346 1.00 0.00 O ATOM 648 CB GLU A 42 4.967 7.483 2.909 1.00 0.00 C ATOM 649 CG GLU A 42 5.889 8.135 3.941 1.00 0.00 C ATOM 650 CD GLU A 42 7.235 7.435 4.171 1.00 0.00 C ATOM 651 OE1 GLU A 42 7.213 6.251 4.572 1.00 0.00 O ATOM 652 OE2 GLU A 42 8.275 8.107 3.981 1.00 0.00 O ATOM 0 H GLU A 42 3.467 6.922 1.159 1.00 0.00 H new ATOM 0 HA GLU A 42 6.241 7.547 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.231 8.238 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.430 6.691 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.083 9.161 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.360 8.185 4.893 1.00 0.00 H new ATOM 659 N MET A 43 5.321 4.618 2.326 1.00 0.00 N ATOM 660 CA MET A 43 5.777 3.446 3.005 1.00 0.00 C ATOM 661 C MET A 43 5.855 2.224 2.126 1.00 0.00 C ATOM 662 O MET A 43 5.381 1.128 2.396 1.00 0.00 O ATOM 663 CB MET A 43 4.948 3.319 4.264 1.00 0.00 C ATOM 664 CG MET A 43 5.812 3.306 5.516 1.00 0.00 C ATOM 665 SD MET A 43 4.868 3.494 7.048 1.00 0.00 S ATOM 666 CE MET A 43 3.638 2.212 6.731 1.00 0.00 C ATOM 0 H MET A 43 4.305 4.700 2.293 1.00 0.00 H new ATOM 0 HA MET A 43 6.823 3.542 3.295 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.243 4.148 4.319 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.360 2.402 4.220 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.368 2.369 5.554 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.545 4.110 5.450 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.091 1.998 7.649 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.942 2.556 5.966 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.137 1.306 6.387 1.00 0.00 H new ATOM 676 N THR A 44 6.530 2.428 1.028 1.00 0.00 N ATOM 677 CA THR A 44 6.813 1.414 0.051 1.00 0.00 C ATOM 678 C THR A 44 8.179 1.714 -0.551 1.00 0.00 C ATOM 679 O THR A 44 8.789 0.801 -1.124 1.00 0.00 O ATOM 680 CB THR A 44 5.627 1.430 -0.912 1.00 0.00 C ATOM 681 OG1 THR A 44 5.685 0.441 -1.911 1.00 0.00 O ATOM 682 CG2 THR A 44 5.499 2.811 -1.541 1.00 0.00 C ATOM 0 H THR A 44 6.912 3.341 0.780 1.00 0.00 H new ATOM 0 HA THR A 44 6.898 0.398 0.435 1.00 0.00 H new ATOM 0 HB THR A 44 4.743 1.197 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.895 0.511 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.653 2.821 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.341 3.554 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.412 3.048 -2.087 1.00 0.00 H new ATOM 690 N GLU A 45 8.716 2.931 -0.329 1.00 0.00 N ATOM 691 CA GLU A 45 9.989 3.373 -0.899 1.00 0.00 C ATOM 692 C GLU A 45 10.036 3.066 -2.403 1.00 0.00 C ATOM 693 O GLU A 45 11.080 2.624 -2.885 1.00 0.00 O ATOM 694 CB GLU A 45 11.131 2.679 -0.153 1.00 0.00 C ATOM 695 CG GLU A 45 11.326 2.717 1.365 1.00 0.00 C ATOM 696 CD GLU A 45 12.140 1.459 1.745 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.086 1.123 0.989 1.00 0.00 O ATOM 698 OE2 GLU A 45 11.659 0.647 2.568 1.00 0.00 O ATOM 0 H GLU A 45 8.268 3.635 0.257 1.00 0.00 H new ATOM 0 HA GLU A 45 10.094 4.452 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.071 1.625 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.053 3.067 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.853 3.623 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.364 2.724 1.878 1.00 0.00 H new ATOM 705 N HIS A 46 8.922 3.226 -3.127 1.00 0.00 N ATOM 706 CA HIS A 46 8.699 2.560 -4.406 1.00 0.00 C ATOM 707 C HIS A 46 8.360 3.502 -5.566 1.00 0.00 C ATOM 708 O HIS A 46 7.779 4.559 -5.348 1.00 0.00 O ATOM 709 CB HIS A 46 7.524 1.598 -4.193 1.00 0.00 C ATOM 710 CG HIS A 46 7.040 0.815 -5.371 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.978 1.178 -6.136 1.00 0.00 N ATOM 712 CD2 HIS A 46 7.482 -0.387 -5.831 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.741 0.211 -7.032 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.656 -0.762 -6.895 1.00 0.00 N ATOM 0 H HIS A 46 8.149 3.825 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 46 9.627 2.066 -4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.808 0.890 -3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.684 2.176 -3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.319 -0.949 -5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.937 0.214 -7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.733 -1.609 -7.457 1.00 0.00 H new ATOM 722 N PRO A 47 8.604 3.044 -6.806 1.00 0.00 N ATOM 723 CA PRO A 47 8.210 3.683 -8.056 1.00 0.00 C ATOM 724 C PRO A 47 6.853 4.378 -8.219 1.00 0.00 C ATOM 725 O PRO A 47 6.835 5.500 -8.714 1.00 0.00 O ATOM 726 CB PRO A 47 8.246 2.548 -9.082 1.00 0.00 C ATOM 727 CG PRO A 47 9.196 1.497 -8.518 1.00 0.00 C ATOM 728 CD PRO A 47 9.484 1.913 -7.115 1.00 0.00 C ATOM 0 HA PRO A 47 8.895 4.525 -8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.251 2.131 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.594 2.909 -10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.742 0.506 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.113 1.445 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.306 1.088 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.530 2.199 -7.006 1.00 0.00 H new ATOM 736 N SER A 48 5.738 3.708 -7.900 1.00 0.00 N ATOM 737 CA SER A 48 4.434 4.078 -8.449 1.00 0.00 C ATOM 738 C SER A 48 3.354 4.517 -7.456 1.00 0.00 C ATOM 739 O SER A 48 2.203 4.206 -7.608 1.00 0.00 O ATOM 740 CB SER A 48 4.096 3.050 -9.538 1.00 0.00 C ATOM 741 OG SER A 48 5.094 3.073 -10.545 1.00 0.00 O ATOM 0 H SER A 48 5.716 2.909 -7.266 1.00 0.00 H new ATOM 0 HA SER A 48 4.486 5.054 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.029 2.053 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.122 3.274 -9.973 1.00 0.00 H new ATOM 0 HG SER A 48 4.876 2.414 -11.237 1.00 0.00 H new ATOM 747 N GLY A 49 3.755 5.132 -6.368 1.00 0.00 N ATOM 748 CA GLY A 49 3.031 5.641 -5.202 1.00 0.00 C ATOM 749 C GLY A 49 1.510 5.658 -5.349 1.00 0.00 C ATOM 750 O GLY A 49 0.835 4.799 -4.787 1.00 0.00 O ATOM 0 H GLY A 49 4.751 5.320 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.291 5.032 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.373 6.655 -4.994 1.00 0.00 H new ATOM 754 N SER A 50 0.996 6.611 -6.120 1.00 0.00 N ATOM 755 CA SER A 50 -0.443 6.857 -6.328 1.00 0.00 C ATOM 756 C SER A 50 -0.898 6.370 -7.707 1.00 0.00 C ATOM 757 O SER A 50 -2.005 6.643 -8.171 1.00 0.00 O ATOM 758 CB SER A 50 -0.734 8.357 -6.182 1.00 0.00 C ATOM 759 OG SER A 50 -0.842 8.706 -4.822 1.00 0.00 O ATOM 0 H SER A 50 1.585 7.262 -6.640 1.00 0.00 H new ATOM 0 HA SER A 50 -0.998 6.298 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.062 8.936 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.658 8.607 -6.703 1.00 0.00 H new ATOM 0 HG SER A 50 -0.220 9.437 -4.621 1.00 0.00 H new ATOM 765 N ASP A 51 -0.053 5.594 -8.365 1.00 0.00 N ATOM 766 CA ASP A 51 0.036 5.318 -9.763 1.00 0.00 C ATOM 767 C ASP A 51 0.069 3.808 -9.875 1.00 0.00 C ATOM 768 O ASP A 51 -0.024 3.287 -10.973 1.00 0.00 O ATOM 769 CB ASP A 51 1.364 5.859 -10.311 1.00 0.00 C ATOM 770 CG ASP A 51 1.804 7.223 -9.761 1.00 0.00 C ATOM 771 OD1 ASP A 51 1.422 8.264 -10.345 1.00 0.00 O ATOM 772 OD2 ASP A 51 2.538 7.202 -8.744 1.00 0.00 O ATOM 0 H ASP A 51 0.670 5.087 -7.854 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.790 5.770 -10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.147 5.132 -10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.285 5.933 -11.396 1.00 0.00 H new ATOM 777 N LEU A 52 0.197 3.098 -8.745 1.00 0.00 N ATOM 778 CA LEU A 52 0.083 1.693 -8.567 1.00 0.00 C ATOM 779 C LEU A 52 -0.959 1.511 -7.535 1.00 0.00 C ATOM 780 O LEU A 52 -0.850 0.595 -6.762 1.00 0.00 O ATOM 781 CB LEU A 52 1.451 1.213 -8.070 1.00 0.00 C ATOM 782 CG LEU A 52 1.858 1.250 -6.573 1.00 0.00 C ATOM 783 CD1 LEU A 52 2.046 -0.175 -6.168 1.00 0.00 C ATOM 784 CD2 LEU A 52 3.152 1.900 -6.113 1.00 0.00 C ATOM 0 H LEU A 52 0.403 3.565 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.185 1.139 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.554 0.178 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.199 1.793 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 52 1.065 1.860 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.335 -0.220 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.113 -0.720 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.827 -0.627 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.238 1.813 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.998 1.401 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.150 2.953 -6.393 1.00 0.00 H new ATOM 796 N ILE A 53 -1.908 2.420 -7.452 1.00 0.00 N ATOM 797 CA ILE A 53 -3.008 2.293 -6.565 1.00 0.00 C ATOM 798 C ILE A 53 -4.273 2.281 -7.413 1.00 0.00 C ATOM 799 O ILE A 53 -5.207 1.569 -7.065 1.00 0.00 O ATOM 800 CB ILE A 53 -2.784 3.268 -5.417 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.601 2.740 -4.571 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.031 3.331 -4.563 1.00 0.00 C ATOM 803 CD1 ILE A 53 -1.830 1.433 -3.887 1.00 0.00 C ATOM 0 H ILE A 53 -1.922 3.272 -8.012 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.127 1.361 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.564 4.266 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.729 2.643 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.356 3.487 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.874 4.028 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.871 3.669 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.248 2.341 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.939 1.157 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.677 1.522 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.041 0.665 -4.631 1.00 0.00 H new ATOM 815 N TYR A 54 -4.257 2.932 -8.588 1.00 0.00 N ATOM 816 CA TYR A 54 -5.443 3.058 -9.415 1.00 0.00 C ATOM 817 C TYR A 54 -5.196 3.057 -10.933 1.00 0.00 C ATOM 818 O TYR A 54 -6.118 2.699 -11.671 1.00 0.00 O ATOM 819 CB TYR A 54 -6.104 4.381 -9.038 1.00 0.00 C ATOM 820 CG TYR A 54 -6.314 4.668 -7.549 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.076 3.796 -6.744 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.667 5.761 -6.934 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.373 4.116 -5.410 1.00 0.00 C ATOM 824 CE2 TYR A 54 -5.853 6.012 -5.560 1.00 0.00 C ATOM 825 CZ TYR A 54 -6.789 5.252 -4.818 1.00 0.00 C ATOM 826 OH TYR A 54 -7.020 5.505 -3.504 1.00 0.00 O ATOM 0 H TYR A 54 -3.426 3.377 -8.978 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.058 2.179 -9.223 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.502 5.188 -9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.076 4.423 -9.529 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.437 2.867 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.028 6.407 -7.518 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.047 3.493 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.280 6.786 -5.072 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.149 6.468 -3.374 1.00 0.00 H new ATOM 836 N TYR A 55 -4.024 3.511 -11.412 1.00 0.00 N ATOM 837 CA TYR A 55 -3.711 3.596 -12.846 1.00 0.00 C ATOM 838 C TYR A 55 -3.477 2.223 -13.497 1.00 0.00 C ATOM 839 O TYR A 55 -3.946 2.054 -14.625 1.00 0.00 O ATOM 840 CB TYR A 55 -2.462 4.427 -13.179 1.00 0.00 C ATOM 841 CG TYR A 55 -2.243 5.830 -12.645 1.00 0.00 C ATOM 842 CD1 TYR A 55 -3.123 6.498 -11.765 1.00 0.00 C ATOM 843 CD2 TYR A 55 -1.028 6.439 -13.006 1.00 0.00 C ATOM 844 CE1 TYR A 55 -2.728 7.713 -11.170 1.00 0.00 C ATOM 845 CE2 TYR A 55 -0.643 7.658 -12.436 1.00 0.00 C ATOM 846 CZ TYR A 55 -1.465 8.272 -11.471 1.00 0.00 C ATOM 847 OH TYR A 55 -0.990 9.346 -10.789 1.00 0.00 O ATOM 0 H TYR A 55 -3.265 3.830 -10.810 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.602 4.082 -13.243 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.602 3.836 -12.862 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.417 4.498 -14.266 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.095 6.079 -11.549 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.385 5.961 -13.731 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.391 8.218 -10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.283 8.127 -12.736 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.105 9.137 -10.425 1.00 0.00 H new ATOM 857 N PRO A 56 -2.767 1.252 -12.872 1.00 0.00 N ATOM 858 CA PRO A 56 -2.763 -0.134 -13.325 1.00 0.00 C ATOM 859 C PRO A 56 -4.205 -0.603 -13.542 1.00 0.00 C ATOM 860 O PRO A 56 -5.086 -0.032 -12.888 1.00 0.00 O ATOM 861 CB PRO A 56 -2.055 -0.954 -12.245 1.00 0.00 C ATOM 862 CG PRO A 56 -2.129 -0.035 -11.038 1.00 0.00 C ATOM 863 CD PRO A 56 -1.923 1.305 -11.698 1.00 0.00 C ATOM 0 HA PRO A 56 -2.241 -0.252 -14.274 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.556 -1.905 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.025 -1.183 -12.519 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.089 -0.101 -10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.358 -0.257 -10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.210 2.123 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.878 1.462 -11.965 1.00 0.00 H new ATOM 871 N LYS A 57 -4.427 -1.630 -14.393 1.00 0.00 N ATOM 872 CA LYS A 57 -5.700 -2.323 -14.725 1.00 0.00 C ATOM 873 C LYS A 57 -5.849 -2.693 -16.185 1.00 0.00 C ATOM 874 O LYS A 57 -6.658 -3.537 -16.563 1.00 0.00 O ATOM 875 CB LYS A 57 -6.889 -1.541 -14.223 1.00 0.00 C ATOM 876 CG LYS A 57 -8.299 -2.067 -14.381 1.00 0.00 C ATOM 877 CD LYS A 57 -9.093 -1.552 -13.166 1.00 0.00 C ATOM 878 CE LYS A 57 -8.999 -0.027 -12.867 1.00 0.00 C ATOM 879 NZ LYS A 57 -7.788 0.372 -12.093 1.00 0.00 N ATOM 0 H LYS A 57 -3.650 -2.035 -14.915 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.661 -3.276 -14.198 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.731 -1.371 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.857 -0.566 -14.710 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.743 -1.715 -15.312 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.306 -3.156 -14.416 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.143 -1.806 -13.312 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.754 -2.094 -12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.009 0.518 -13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.887 0.278 -12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.944 1.305 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.607 -0.329 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.968 0.418 -12.731 1.00 0.00 H new ATOM 893 N GLU A 58 -5.041 -2.080 -17.029 1.00 0.00 N ATOM 894 CA GLU A 58 -5.180 -2.196 -18.479 1.00 0.00 C ATOM 895 C GLU A 58 -4.172 -3.155 -19.045 1.00 0.00 C ATOM 896 O GLU A 58 -3.120 -2.878 -19.613 1.00 0.00 O ATOM 897 CB GLU A 58 -5.291 -0.889 -19.133 1.00 0.00 C ATOM 898 CG GLU A 58 -5.533 -0.985 -20.652 1.00 0.00 C ATOM 899 CD GLU A 58 -6.311 0.206 -21.230 1.00 0.00 C ATOM 900 OE1 GLU A 58 -7.536 0.265 -20.976 1.00 0.00 O ATOM 901 OE2 GLU A 58 -5.702 1.008 -21.975 1.00 0.00 O ATOM 0 H GLU A 58 -4.267 -1.485 -16.734 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.139 -2.658 -18.714 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.108 -0.331 -18.677 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.378 -0.322 -18.953 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.572 -1.060 -21.160 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.080 -1.903 -20.866 1.00 0.00 H new ATOM 908 N GLY A 59 -4.609 -4.339 -18.725 1.00 0.00 N ATOM 909 CA GLY A 59 -3.821 -5.553 -18.674 1.00 0.00 C ATOM 910 C GLY A 59 -2.718 -5.484 -17.619 1.00 0.00 C ATOM 911 O GLY A 59 -1.772 -6.262 -17.722 1.00 0.00 O ATOM 0 H GLY A 59 -5.585 -4.500 -18.476 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.474 -6.399 -18.459 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.375 -5.735 -19.652 1.00 0.00 H new ATOM 915 N ASP A 60 -2.833 -4.591 -16.627 1.00 0.00 N ATOM 916 CA ASP A 60 -2.066 -4.663 -15.404 1.00 0.00 C ATOM 917 C ASP A 60 -3.007 -5.143 -14.336 1.00 0.00 C ATOM 918 O ASP A 60 -4.231 -5.124 -14.497 1.00 0.00 O ATOM 919 CB ASP A 60 -1.434 -3.308 -15.014 1.00 0.00 C ATOM 920 CG ASP A 60 -0.044 -3.463 -14.391 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.229 -4.548 -13.833 1.00 0.00 O ATOM 922 OD2 ASP A 60 0.722 -2.479 -14.483 1.00 0.00 O ATOM 0 H ASP A 60 -3.471 -3.796 -16.664 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.226 -5.345 -15.536 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.363 -2.677 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.089 -2.796 -14.309 1.00 0.00 H new ATOM 927 N ASP A 61 -2.387 -5.555 -13.256 1.00 0.00 N ATOM 928 CA ASP A 61 -3.038 -6.017 -12.052 1.00 0.00 C ATOM 929 C ASP A 61 -2.863 -4.983 -10.948 1.00 0.00 C ATOM 930 O ASP A 61 -1.868 -4.979 -10.228 1.00 0.00 O ATOM 931 CB ASP A 61 -2.704 -7.436 -11.659 1.00 0.00 C ATOM 932 CG ASP A 61 -3.384 -7.923 -10.364 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.429 -7.360 -9.957 1.00 0.00 O ATOM 934 OD2 ASP A 61 -2.857 -8.882 -9.750 1.00 0.00 O ATOM 0 H ASP A 61 -1.369 -5.579 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.105 -6.097 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.988 -8.101 -12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.624 -7.521 -11.540 1.00 0.00 H new ATOM 939 N ASP A 62 -3.797 -4.043 -10.861 1.00 0.00 N ATOM 940 CA ASP A 62 -3.982 -3.191 -9.694 1.00 0.00 C ATOM 941 C ASP A 62 -4.730 -4.071 -8.639 1.00 0.00 C ATOM 942 O ASP A 62 -4.233 -4.440 -7.583 1.00 0.00 O ATOM 943 CB ASP A 62 -4.865 -1.973 -10.097 1.00 0.00 C ATOM 944 CG ASP A 62 -6.326 -2.197 -10.501 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.583 -3.158 -11.259 1.00 0.00 O ATOM 946 OD2 ASP A 62 -7.187 -1.356 -10.157 1.00 0.00 O ATOM 0 H ASP A 62 -4.458 -3.849 -11.613 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.038 -2.816 -9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.862 -1.276 -9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.370 -1.472 -10.929 1.00 0.00 H new ATOM 951 N SER A 63 -5.950 -4.498 -8.929 1.00 0.00 N ATOM 952 CA SER A 63 -6.995 -4.940 -7.999 1.00 0.00 C ATOM 953 C SER A 63 -6.826 -4.155 -6.672 1.00 0.00 C ATOM 954 O SER A 63 -6.543 -2.959 -6.728 1.00 0.00 O ATOM 955 CB SER A 63 -6.947 -6.467 -7.875 1.00 0.00 C ATOM 956 OG SER A 63 -6.867 -7.138 -9.117 1.00 0.00 O ATOM 0 H SER A 63 -6.267 -4.551 -9.897 1.00 0.00 H new ATOM 0 HA SER A 63 -8.001 -4.717 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.087 -6.746 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.837 -6.807 -7.345 1.00 0.00 H new ATOM 0 HG SER A 63 -5.987 -6.979 -9.519 1.00 0.00 H new ATOM 962 N PRO A 64 -7.034 -4.735 -5.474 1.00 0.00 N ATOM 963 CA PRO A 64 -6.429 -4.164 -4.270 1.00 0.00 C ATOM 964 C PRO A 64 -5.095 -4.799 -3.931 1.00 0.00 C ATOM 965 O PRO A 64 -4.489 -4.490 -2.917 1.00 0.00 O ATOM 966 CB PRO A 64 -7.414 -4.429 -3.156 1.00 0.00 C ATOM 967 CG PRO A 64 -8.128 -5.696 -3.577 1.00 0.00 C ATOM 968 CD PRO A 64 -8.238 -5.452 -5.078 1.00 0.00 C ATOM 0 HA PRO A 64 -6.229 -3.103 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.907 -4.558 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.112 -3.600 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.557 -6.594 -3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.102 -5.804 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.322 -6.395 -5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.130 -4.870 -5.311 1.00 0.00 H new ATOM 976 N SER A 65 -4.698 -5.763 -4.737 1.00 0.00 N ATOM 977 CA SER A 65 -3.719 -6.762 -4.417 1.00 0.00 C ATOM 978 C SER A 65 -2.513 -6.848 -5.304 1.00 0.00 C ATOM 979 O SER A 65 -1.418 -6.894 -4.762 1.00 0.00 O ATOM 980 CB SER A 65 -4.465 -8.077 -4.304 1.00 0.00 C ATOM 981 OG SER A 65 -5.487 -8.246 -5.279 1.00 0.00 O ATOM 0 H SER A 65 -5.074 -5.869 -5.679 1.00 0.00 H new ATOM 0 HA SER A 65 -3.249 -6.472 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.752 -8.897 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.909 -8.147 -3.311 1.00 0.00 H new ATOM 0 HG SER A 65 -5.924 -9.113 -5.148 1.00 0.00 H new ATOM 987 N GLY A 66 -2.709 -6.877 -6.604 1.00 0.00 N ATOM 988 CA GLY A 66 -1.794 -6.716 -7.690 1.00 0.00 C ATOM 989 C GLY A 66 -1.018 -5.432 -7.542 1.00 0.00 C ATOM 990 O GLY A 66 0.186 -5.418 -7.753 1.00 0.00 O ATOM 0 H GLY A 66 -3.651 -7.037 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.107 -7.561 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.339 -6.712 -8.634 1.00 0.00 H new ATOM 994 N ILE A 67 -1.654 -4.375 -7.048 1.00 0.00 N ATOM 995 CA ILE A 67 -0.963 -3.158 -6.728 1.00 0.00 C ATOM 996 C ILE A 67 0.096 -3.372 -5.675 1.00 0.00 C ATOM 997 O ILE A 67 1.282 -3.096 -5.839 1.00 0.00 O ATOM 998 CB ILE A 67 -1.927 -2.035 -6.298 1.00 0.00 C ATOM 999 CG1 ILE A 67 -2.979 -2.418 -5.266 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.629 -1.369 -7.473 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.127 -1.390 -5.067 1.00 0.00 C ATOM 0 H ILE A 67 -2.657 -4.350 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.470 -2.840 -7.647 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.246 -1.334 -5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.417 -3.373 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.483 -2.573 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.294 -0.588 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.886 -0.930 -8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.211 -2.112 -8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.820 -1.760 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.710 -0.437 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.658 -1.250 -6.009 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.324 -3.976 -4.586 1.00 0.00 N ATOM 1014 CA VAL A 68 0.576 -4.266 -3.482 1.00 0.00 C ATOM 1015 C VAL A 68 1.525 -5.364 -3.916 1.00 0.00 C ATOM 1016 O VAL A 68 2.583 -5.561 -3.328 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.218 -4.692 -2.251 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.558 -4.388 -0.956 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.506 -3.916 -2.178 1.00 0.00 C ATOM 0 H VAL A 68 -1.287 -4.279 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 68 1.145 -3.375 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.400 -5.763 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.033 -4.702 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.504 -4.929 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.752 -3.317 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.068 -4.225 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.286 -2.851 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.099 -4.109 -3.072 1.00 0.00 H new ATOM 1029 N ASN A 69 1.128 -6.082 -4.949 1.00 0.00 N ATOM 1030 CA ASN A 69 1.931 -7.039 -5.671 1.00 0.00 C ATOM 1031 C ASN A 69 2.993 -6.379 -6.497 1.00 0.00 C ATOM 1032 O ASN A 69 4.067 -6.935 -6.640 1.00 0.00 O ATOM 1033 CB ASN A 69 1.131 -7.965 -6.511 1.00 0.00 C ATOM 1034 CG ASN A 69 1.526 -9.415 -6.312 1.00 0.00 C ATOM 1035 OD1 ASN A 69 2.679 -9.790 -6.482 1.00 0.00 O ATOM 1036 ND2 ASN A 69 0.592 -10.232 -5.861 1.00 0.00 N ATOM 0 H ASN A 69 0.183 -6.006 -5.325 1.00 0.00 H new ATOM 0 HA ASN A 69 2.415 -7.639 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.074 -7.844 -6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.256 -7.698 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.823 -11.202 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.361 -9.894 -5.728 1.00 0.00 H new ATOM 1043 N THR A 70 2.729 -5.196 -7.018 1.00 0.00 N ATOM 1044 CA THR A 70 3.631 -4.585 -7.947 1.00 0.00 C ATOM 1045 C THR A 70 4.871 -4.168 -7.154 1.00 0.00 C ATOM 1046 O THR A 70 6.023 -4.367 -7.546 1.00 0.00 O ATOM 1047 CB THR A 70 2.932 -3.411 -8.647 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.822 -3.871 -9.383 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.849 -2.678 -9.631 1.00 0.00 C ATOM 0 H THR A 70 1.895 -4.647 -6.808 1.00 0.00 H new ATOM 0 HA THR A 70 3.938 -5.266 -8.741 1.00 0.00 H new ATOM 0 HB THR A 70 2.634 -2.725 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.209 -4.350 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.302 -1.858 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.713 -2.281 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.186 -3.372 -10.401 1.00 0.00 H new ATOM 1057 N VAL A 71 4.610 -3.722 -5.926 1.00 0.00 N ATOM 1058 CA VAL A 71 5.562 -3.521 -4.877 1.00 0.00 C ATOM 1059 C VAL A 71 6.184 -4.841 -4.615 1.00 0.00 C ATOM 1060 O VAL A 71 7.396 -4.904 -4.643 1.00 0.00 O ATOM 1061 CB VAL A 71 4.860 -2.997 -3.627 1.00 0.00 C ATOM 1062 CG1 VAL A 71 5.807 -2.686 -2.491 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.169 -1.740 -4.058 1.00 0.00 C ATOM 0 H VAL A 71 3.662 -3.481 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 71 6.316 -2.786 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 71 4.182 -3.758 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.241 -2.318 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.345 -3.591 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.519 -1.924 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.641 -1.306 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.906 -1.028 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.456 -1.970 -4.850 1.00 0.00 H new ATOM 1073 N LYS A 72 5.405 -5.901 -4.420 1.00 0.00 N ATOM 1074 CA LYS A 72 5.985 -7.209 -4.107 1.00 0.00 C ATOM 1075 C LYS A 72 6.949 -7.805 -5.098 1.00 0.00 C ATOM 1076 O LYS A 72 7.431 -8.912 -4.914 1.00 0.00 O ATOM 1077 CB LYS A 72 4.906 -8.257 -3.886 1.00 0.00 C ATOM 1078 CG LYS A 72 5.120 -8.624 -2.444 1.00 0.00 C ATOM 1079 CD LYS A 72 4.471 -7.480 -1.688 1.00 0.00 C ATOM 1080 CE LYS A 72 3.029 -7.949 -1.403 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.195 -6.967 -0.701 1.00 0.00 N ATOM 0 H LYS A 72 4.386 -5.885 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 72 6.559 -6.972 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.907 -7.858 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.028 -9.114 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.657 -9.580 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.180 -8.713 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.006 -7.266 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.478 -6.564 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.550 -8.203 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.069 -8.863 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.710 -7.429 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.794 -6.197 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.489 -6.578 -1.358 1.00 0.00 H new ATOM 1095 N GLN A 73 7.150 -7.080 -6.162 1.00 0.00 N ATOM 1096 CA GLN A 73 7.939 -7.357 -7.298 1.00 0.00 C ATOM 1097 C GLN A 73 9.086 -6.384 -7.399 1.00 0.00 C ATOM 1098 O GLN A 73 10.224 -6.811 -7.418 1.00 0.00 O ATOM 1099 CB GLN A 73 7.070 -7.543 -8.540 1.00 0.00 C ATOM 1100 CG GLN A 73 6.152 -8.715 -8.189 1.00 0.00 C ATOM 1101 CD GLN A 73 5.230 -9.148 -9.307 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.659 -9.507 -10.397 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.943 -9.115 -9.021 1.00 0.00 N ATOM 0 H GLN A 73 6.701 -6.168 -6.249 1.00 0.00 H new ATOM 0 HA GLN A 73 8.432 -8.324 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.498 -6.643 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.675 -7.762 -9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.767 -9.565 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.549 -8.441 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.633 -8.809 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.257 -9.396 -9.722 1.00 0.00 H new ATOM 1112 N TRP A 74 8.836 -5.091 -7.303 1.00 0.00 N ATOM 1113 CA TRP A 74 9.835 -4.060 -7.129 1.00 0.00 C ATOM 1114 C TRP A 74 10.565 -4.272 -5.799 1.00 0.00 C ATOM 1115 O TRP A 74 11.718 -4.673 -5.792 1.00 0.00 O ATOM 1116 CB TRP A 74 9.224 -2.702 -7.256 1.00 0.00 C ATOM 1117 CG TRP A 74 10.301 -1.697 -7.528 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.724 -1.386 -8.759 1.00 0.00 C ATOM 1119 CD2 TRP A 74 11.133 -0.905 -6.649 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.822 -0.559 -8.723 1.00 0.00 N ATOM 1121 CE2 TRP A 74 12.089 -0.182 -7.431 1.00 0.00 C ATOM 1122 CE3 TRP A 74 11.090 -0.634 -5.280 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.980 0.746 -6.876 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.912 0.357 -4.744 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.875 1.033 -5.509 1.00 0.00 C ATOM 0 H TRP A 74 7.888 -4.717 -7.346 1.00 0.00 H new ATOM 0 HA TRP A 74 10.580 -4.129 -7.922 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.492 -2.694 -8.063 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.692 -2.443 -6.341 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.261 -1.741 -9.668 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.360 -0.268 -9.539 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.422 -1.190 -4.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.729 1.228 -7.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.803 0.614 -3.701 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.525 1.763 -5.051 1.00 0.00 H new ATOM 1136 N ARG A 75 9.895 -4.124 -4.652 1.00 0.00 N ATOM 1137 CA ARG A 75 10.371 -4.476 -3.311 1.00 0.00 C ATOM 1138 C ARG A 75 10.866 -5.932 -3.201 1.00 0.00 C ATOM 1139 O ARG A 75 11.378 -6.293 -2.149 1.00 0.00 O ATOM 1140 CB ARG A 75 9.242 -4.330 -2.246 1.00 0.00 C ATOM 1141 CG ARG A 75 9.130 -2.886 -1.736 1.00 0.00 C ATOM 1142 CD ARG A 75 8.483 -2.785 -0.348 1.00 0.00 C ATOM 1143 NE ARG A 75 9.456 -2.903 0.753 1.00 0.00 N ATOM 1144 CZ ARG A 75 10.089 -1.884 1.347 1.00 0.00 C ATOM 1145 NH1 ARG A 75 9.948 -0.646 0.913 1.00 0.00 N ATOM 1146 NH2 ARG A 75 10.908 -2.077 2.368 1.00 0.00 N ATOM 0 H ARG A 75 8.953 -3.733 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 75 11.194 -3.785 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.290 -4.638 -2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.443 -4.998 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.125 -2.442 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.546 -2.301 -2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.963 -1.831 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.731 -3.568 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 75 9.665 -3.842 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.348 -0.452 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.439 0.117 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.070 -3.020 2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.378 -1.283 2.802 1.00 0.00 H new ATOM 1160 N ALA A 76 10.720 -6.781 -4.213 1.00 0.00 N ATOM 1161 CA ALA A 76 11.299 -8.125 -4.217 1.00 0.00 C ATOM 1162 C ALA A 76 12.485 -8.312 -5.145 1.00 0.00 C ATOM 1163 O ALA A 76 13.362 -9.134 -4.903 1.00 0.00 O ATOM 1164 CB ALA A 76 10.231 -9.159 -4.510 1.00 0.00 C ATOM 0 H ALA A 76 10.195 -6.558 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 76 11.698 -8.266 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.677 -10.153 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.456 -9.109 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.790 -8.960 -5.487 1.00 0.00 H new ATOM 1170 N ALA A 77 12.537 -7.493 -6.174 1.00 0.00 N ATOM 1171 CA ALA A 77 13.530 -7.519 -7.240 1.00 0.00 C ATOM 1172 C ALA A 77 14.699 -6.652 -6.844 1.00 0.00 C ATOM 1173 O ALA A 77 15.870 -6.983 -6.992 1.00 0.00 O ATOM 1174 CB ALA A 77 12.917 -6.916 -8.504 1.00 0.00 C ATOM 0 H ALA A 77 11.852 -6.748 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 77 13.850 -8.546 -7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.653 -6.931 -9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.045 -7.499 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.616 -5.887 -8.307 1.00 0.00 H new ATOM 1180 N ASN A 78 14.310 -5.514 -6.294 1.00 0.00 N ATOM 1181 CA ASN A 78 15.105 -4.608 -5.530 1.00 0.00 C ATOM 1182 C ASN A 78 15.407 -5.193 -4.152 1.00 0.00 C ATOM 1183 O ASN A 78 16.166 -4.629 -3.376 1.00 0.00 O ATOM 1184 CB ASN A 78 14.297 -3.307 -5.485 1.00 0.00 C ATOM 1185 CG ASN A 78 15.196 -2.078 -5.529 1.00 0.00 C ATOM 1186 OD1 ASN A 78 15.445 -1.416 -4.534 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.714 -1.745 -6.699 1.00 0.00 N ATOM 0 H ASN A 78 13.348 -5.187 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 78 16.085 -4.421 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.605 -3.280 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.696 -3.284 -4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.325 -0.932 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.503 -2.302 -7.527 1.00 0.00 H new ATOM 1194 N GLY A 79 14.798 -6.345 -3.864 1.00 0.00 N ATOM 1195 CA GLY A 79 15.138 -7.243 -2.752 1.00 0.00 C ATOM 1196 C GLY A 79 14.668 -6.717 -1.396 1.00 0.00 C ATOM 1197 O GLY A 79 14.964 -7.293 -0.350 1.00 0.00 O ATOM 0 H GLY A 79 14.020 -6.695 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.690 -8.221 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.218 -7.387 -2.725 1.00 0.00 H new ATOM 1201 N LYS A 80 13.919 -5.619 -1.452 1.00 0.00 N ATOM 1202 CA LYS A 80 13.509 -4.718 -0.352 1.00 0.00 C ATOM 1203 C LYS A 80 13.185 -5.436 0.931 1.00 0.00 C ATOM 1204 O LYS A 80 13.672 -5.122 2.012 1.00 0.00 O ATOM 1205 CB LYS A 80 12.443 -3.734 -0.724 1.00 0.00 C ATOM 1206 CG LYS A 80 13.098 -3.085 -1.934 1.00 0.00 C ATOM 1207 CD LYS A 80 13.137 -1.690 -2.083 1.00 0.00 C ATOM 1208 CE LYS A 80 12.034 -0.781 -1.915 1.00 0.00 C ATOM 1209 NZ LYS A 80 12.618 0.559 -1.641 1.00 0.00 N ATOM 0 H LYS A 80 13.544 -5.299 -2.345 1.00 0.00 H new ATOM 0 HA LYS A 80 14.405 -4.127 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.497 -4.217 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.238 -3.019 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.129 -3.436 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.600 -3.485 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.908 -1.344 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.509 -1.514 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.414 -0.756 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.393 -1.099 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.987 1.296 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.727 0.687 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.548 0.633 -2.100 1.00 0.00 H new ATOM 1223 N SER A 81 12.303 -6.399 0.744 1.00 0.00 N ATOM 1224 CA SER A 81 11.604 -7.130 1.750 1.00 0.00 C ATOM 1225 C SER A 81 10.959 -6.089 2.644 1.00 0.00 C ATOM 1226 O SER A 81 10.183 -5.241 2.199 1.00 0.00 O ATOM 1227 CB SER A 81 12.496 -8.201 2.302 1.00 0.00 C ATOM 1228 OG SER A 81 13.193 -8.926 1.301 1.00 0.00 O ATOM 0 H SER A 81 12.046 -6.704 -0.195 1.00 0.00 H new ATOM 0 HA SER A 81 10.765 -7.747 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.218 -7.748 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.896 -8.895 2.891 1.00 0.00 H new ATOM 0 HG SER A 81 13.866 -8.347 0.886 1.00 0.00 H new ATOM 1234 N GLY A 82 11.406 -6.102 3.871 1.00 0.00 N ATOM 1235 CA GLY A 82 11.306 -4.977 4.776 1.00 0.00 C ATOM 1236 C GLY A 82 9.933 -4.702 5.328 1.00 0.00 C ATOM 1237 O GLY A 82 9.670 -3.584 5.749 1.00 0.00 O ATOM 0 H GLY A 82 11.863 -6.915 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.986 -5.145 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.654 -4.084 4.256 1.00 0.00 H new ATOM 1241 N PHE A 83 9.078 -5.707 5.276 1.00 0.00 N ATOM 1242 CA PHE A 83 7.925 -5.817 6.114 1.00 0.00 C ATOM 1243 C PHE A 83 8.307 -6.632 7.357 1.00 0.00 C ATOM 1244 O PHE A 83 9.397 -6.532 7.918 1.00 0.00 O ATOM 1245 CB PHE A 83 6.766 -6.462 5.358 1.00 0.00 C ATOM 1246 CG PHE A 83 6.164 -5.696 4.242 1.00 0.00 C ATOM 1247 CD1 PHE A 83 5.121 -4.785 4.452 1.00 0.00 C ATOM 1248 CD2 PHE A 83 6.538 -6.044 2.957 1.00 0.00 C ATOM 1249 CE1 PHE A 83 4.551 -4.156 3.342 1.00 0.00 C ATOM 1250 CE2 PHE A 83 6.017 -5.369 1.861 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.991 -4.422 2.023 1.00 0.00 C ATOM 0 H PHE A 83 9.181 -6.486 4.626 1.00 0.00 H new ATOM 0 HA PHE A 83 7.590 -4.826 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.113 -7.416 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.978 -6.683 6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.765 -4.573 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.242 -6.849 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.751 -3.446 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.404 -5.574 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.555 -3.917 1.174 1.00 0.00 H new ATOM 1261 N LYS A 84 7.344 -7.448 7.752 1.00 0.00 N ATOM 1262 CA LYS A 84 6.989 -8.119 8.937 1.00 0.00 C ATOM 1263 C LYS A 84 6.298 -9.414 8.523 1.00 0.00 C ATOM 1264 O LYS A 84 6.160 -9.714 7.337 1.00 0.00 O ATOM 1265 CB LYS A 84 6.205 -7.124 9.716 1.00 0.00 C ATOM 1266 CG LYS A 84 6.437 -7.423 11.195 1.00 0.00 C ATOM 1267 CD LYS A 84 5.590 -6.530 12.034 1.00 0.00 C ATOM 1268 CE LYS A 84 4.114 -6.782 11.720 1.00 0.00 C ATOM 1269 NZ LYS A 84 3.139 -6.261 12.681 1.00 0.00 N ATOM 0 H LYS A 84 6.644 -7.688 7.050 1.00 0.00 H new ATOM 0 HA LYS A 84 7.796 -8.448 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.523 -6.110 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.145 -7.193 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.200 -8.466 11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.489 -7.279 11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.784 -6.714 13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.841 -5.487 11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.895 -6.349 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.964 -7.858 11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.245 -6.055 12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.972 -6.969 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.507 -5.388 13.110 1.00 0.00 H new ATOM 1283 N GLN A 85 5.839 -10.159 9.506 1.00 0.00 N ATOM 1284 CA GLN A 85 5.206 -11.470 9.372 1.00 0.00 C ATOM 1285 C GLN A 85 3.934 -11.589 10.187 1.00 0.00 C ATOM 1286 O GLN A 85 2.884 -11.951 9.664 1.00 0.00 O ATOM 1287 CB GLN A 85 6.164 -12.595 9.535 1.00 0.00 C ATOM 1288 CG GLN A 85 6.449 -13.418 8.271 1.00 0.00 C ATOM 1289 CD GLN A 85 7.615 -14.386 8.461 1.00 0.00 C ATOM 1290 OE1 GLN A 85 7.588 -15.268 9.308 1.00 0.00 O ATOM 1291 NE2 GLN A 85 8.672 -14.248 7.675 1.00 0.00 N ATOM 0 H GLN A 85 5.897 -9.856 10.478 1.00 0.00 H new ATOM 0 HA GLN A 85 4.873 -11.556 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.107 -12.193 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.780 -13.266 10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.556 -13.978 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.670 -12.744 7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.691 -13.511 6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.468 -14.879 7.775 1.00 0.00 H new ATOM 1300 N GLY A 86 4.061 -11.206 11.446 1.00 0.00 N ATOM 1301 CA GLY A 86 3.015 -10.805 12.362 1.00 0.00 C ATOM 1302 C GLY A 86 3.586 -9.651 13.174 1.00 0.00 C ATOM 1303 O GLY A 86 2.802 -8.809 13.655 1.00 0.00 O ATOM 1304 OXT GLY A 86 4.832 -9.535 13.187 1.00 0.00 O ATOM 0 H GLY A 86 4.979 -11.165 11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.120 -10.496 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.726 -11.632 13.010 1.00 0.00 H new