USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 689 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 37 ASN : amide:sc= -5.45! C(o=-8.9!,f=-29!) USER MOD Set 1.2: A 38 THR OG1 : rot -140:sc= -0.979 USER MOD Set 1.3: A 41 GLN :FLIP amide:sc= -2.51! C(o=-13!,f=-8.9!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 164:sc= 0.758 (180deg=0) USER MOD Set 2.2: A 8 TYR OH : rot -130:sc= -1.07! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0153 (180deg=-0.299) USER MOD Single : A 2 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.5) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.333 USER MOD Single : A 15 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.36) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.93) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -28:sc= -3.5! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.21! C(o=-2.2!,f=-5.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.96! C(o=-2!,f=-4.8!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0877 X(o=-0.088,f=-0.088) USER MOD Single : A 80 ASN :FLIP amide:sc=-0.00994 F(o=-0.64,f=-0.0099) USER MOD Single : A 81 GLN : amide:sc= -6.89! C(o=-6.9!,f=-9.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.820 -17.786 0.125 1.00 1.00 N ATOM 2 CA MET A 1 -18.331 -17.735 0.167 1.00 1.00 C ATOM 3 C MET A 1 -17.903 -16.376 0.701 1.00 1.00 C ATOM 4 O MET A 1 -17.801 -15.408 -0.052 1.00 1.00 O ATOM 5 CB MET A 1 -17.775 -17.937 -1.246 1.00 1.00 C ATOM 6 CG MET A 1 -18.060 -19.369 -1.710 1.00 1.00 C ATOM 7 SD MET A 1 -17.378 -19.623 -3.371 1.00 1.00 S ATOM 8 CE MET A 1 -18.782 -18.981 -4.321 1.00 1.00 C ATOM 0 H1 MET A 1 -20.131 -18.775 0.044 1.00 1.00 H new ATOM 0 H2 MET A 1 -20.206 -17.372 0.997 1.00 1.00 H new ATOM 0 H3 MET A 1 -20.163 -17.247 -0.696 1.00 1.00 H new ATOM 0 HA MET A 1 -17.947 -18.522 0.816 1.00 1.00 H new ATOM 0 HB2 MET A 1 -18.231 -17.224 -1.933 1.00 1.00 H new ATOM 0 HB3 MET A 1 -16.702 -17.747 -1.256 1.00 1.00 H new ATOM 0 HG2 MET A 1 -17.619 -20.082 -1.013 1.00 1.00 H new ATOM 0 HG3 MET A 1 -19.134 -19.552 -1.716 1.00 1.00 H new ATOM 0 HE1 MET A 1 -18.562 -19.049 -5.386 1.00 1.00 H new ATOM 0 HE2 MET A 1 -19.672 -19.568 -4.096 1.00 1.00 H new ATOM 0 HE3 MET A 1 -18.957 -17.939 -4.052 1.00 1.00 H new ATOM 20 N ASN A 2 -17.664 -16.302 2.012 1.00 1.00 N ATOM 21 CA ASN A 2 -17.263 -15.044 2.645 1.00 1.00 C ATOM 22 C ASN A 2 -16.414 -15.307 3.888 1.00 1.00 C ATOM 23 O ASN A 2 -16.930 -15.366 5.001 1.00 1.00 O ATOM 24 CB ASN A 2 -18.515 -14.257 3.040 1.00 1.00 C ATOM 25 CG ASN A 2 -19.302 -13.879 1.789 1.00 1.00 C ATOM 26 OD1 ASN A 2 -18.767 -13.223 0.894 1.00 1.00 O ATOM 27 ND2 ASN A 2 -20.545 -14.261 1.668 1.00 1.00 N ATOM 0 H ASN A 2 -17.740 -17.092 2.652 1.00 1.00 H new ATOM 0 HA ASN A 2 -16.668 -14.470 1.935 1.00 1.00 H new ATOM 0 HB2 ASN A 2 -19.137 -14.855 3.706 1.00 1.00 H new ATOM 0 HB3 ASN A 2 -18.233 -13.359 3.589 1.00 1.00 H new ATOM 0 HD21 ASN A 2 -21.075 -14.016 0.831 1.00 1.00 H new ATOM 0 HD22 ASN A 2 -20.986 -14.804 2.410 1.00 1.00 H new ATOM 34 N GLU A 3 -15.102 -15.465 3.684 1.00 1.00 N ATOM 35 CA GLU A 3 -14.162 -15.720 4.785 1.00 1.00 C ATOM 36 C GLU A 3 -13.419 -14.443 5.134 1.00 1.00 C ATOM 37 O GLU A 3 -13.460 -13.481 4.367 1.00 1.00 O ATOM 38 CB GLU A 3 -13.153 -16.795 4.363 1.00 1.00 C ATOM 39 CG GLU A 3 -13.878 -18.131 4.203 1.00 1.00 C ATOM 40 CD GLU A 3 -12.924 -19.200 3.679 1.00 1.00 C ATOM 41 OE1 GLU A 3 -11.759 -18.890 3.489 1.00 1.00 O ATOM 42 OE2 GLU A 3 -13.375 -20.314 3.476 1.00 1.00 O ATOM 0 H GLU A 3 -14.664 -15.421 2.764 1.00 1.00 H new ATOM 0 HA GLU A 3 -14.719 -16.064 5.656 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -12.674 -16.513 3.425 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -12.364 -16.883 5.110 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -14.292 -18.444 5.162 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -14.717 -18.016 3.516 1.00 1.00 H new ATOM 49 N ALA A 4 -12.761 -14.438 6.310 1.00 1.00 N ATOM 50 CA ALA A 4 -12.001 -13.274 6.811 1.00 1.00 C ATOM 51 C ALA A 4 -11.549 -12.349 5.678 1.00 1.00 C ATOM 52 O ALA A 4 -10.922 -12.791 4.719 1.00 1.00 O ATOM 53 CB ALA A 4 -10.779 -13.768 7.592 1.00 1.00 C ATOM 0 H ALA A 4 -12.741 -15.240 6.940 1.00 1.00 H new ATOM 0 HA ALA A 4 -12.660 -12.697 7.460 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -10.215 -12.913 7.964 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -11.107 -14.379 8.433 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -10.144 -14.364 6.936 1.00 1.00 H new ATOM 59 N LYS A 5 -11.891 -11.066 5.798 1.00 1.00 N ATOM 60 CA LYS A 5 -11.537 -10.078 4.773 1.00 1.00 C ATOM 61 C LYS A 5 -10.131 -9.527 5.009 1.00 1.00 C ATOM 62 O LYS A 5 -9.353 -10.105 5.768 1.00 1.00 O ATOM 63 CB LYS A 5 -12.557 -8.932 4.771 1.00 1.00 C ATOM 64 CG LYS A 5 -13.938 -9.467 4.354 1.00 1.00 C ATOM 65 CD LYS A 5 -14.917 -8.299 4.135 1.00 1.00 C ATOM 66 CE LYS A 5 -15.265 -7.618 5.470 1.00 1.00 C ATOM 67 NZ LYS A 5 -16.430 -6.712 5.275 1.00 1.00 N ATOM 0 H LYS A 5 -12.410 -10.686 6.590 1.00 1.00 H new ATOM 0 HA LYS A 5 -11.553 -10.573 3.802 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -12.615 -8.482 5.762 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -12.237 -8.149 4.084 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -13.848 -10.052 3.439 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -14.324 -10.136 5.123 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -14.475 -7.571 3.455 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -15.827 -8.666 3.661 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -15.497 -8.370 6.224 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -14.408 -7.053 5.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -16.835 -6.464 6.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -16.119 -5.846 4.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -17.151 -7.192 4.699 1.00 1.00 H new ATOM 81 N GLY A 6 -9.808 -8.407 4.342 1.00 1.00 N ATOM 82 CA GLY A 6 -8.488 -7.774 4.468 1.00 1.00 C ATOM 83 C GLY A 6 -8.584 -6.449 5.214 1.00 1.00 C ATOM 84 O GLY A 6 -9.043 -6.405 6.356 1.00 1.00 O ATOM 0 H GLY A 6 -10.445 -7.922 3.710 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -7.809 -8.444 4.996 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -8.065 -7.607 3.477 1.00 1.00 H new ATOM 88 N VAL A 7 -8.136 -5.368 4.561 1.00 1.00 N ATOM 89 CA VAL A 7 -8.151 -4.023 5.159 1.00 1.00 C ATOM 90 C VAL A 7 -8.990 -3.079 4.306 1.00 1.00 C ATOM 91 O VAL A 7 -9.291 -3.377 3.157 1.00 1.00 O ATOM 92 CB VAL A 7 -6.708 -3.498 5.278 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.660 -2.255 6.188 1.00 1.00 C ATOM 94 CG2 VAL A 7 -5.826 -4.607 5.870 1.00 1.00 C ATOM 0 H VAL A 7 -7.757 -5.398 3.615 1.00 1.00 H new ATOM 0 HA VAL A 7 -8.595 -4.075 6.153 1.00 1.00 H new ATOM 0 HB VAL A 7 -6.344 -3.216 4.290 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.633 -1.897 6.261 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -7.288 -1.471 5.766 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -7.024 -2.517 7.181 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -4.801 -4.248 5.959 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -6.201 -4.883 6.855 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -5.849 -5.479 5.216 1.00 1.00 H new ATOM 104 N TYR A 8 -9.363 -1.935 4.882 1.00 1.00 N ATOM 105 CA TYR A 8 -10.183 -0.933 4.185 1.00 1.00 C ATOM 106 C TYR A 8 -9.458 0.412 4.104 1.00 1.00 C ATOM 107 O TYR A 8 -9.036 0.966 5.120 1.00 1.00 O ATOM 108 CB TYR A 8 -11.502 -0.761 4.960 1.00 1.00 C ATOM 109 CG TYR A 8 -12.394 -1.965 4.718 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.251 -3.120 5.501 1.00 1.00 C ATOM 111 CD2 TYR A 8 -13.360 -1.923 3.706 1.00 1.00 C ATOM 112 CE1 TYR A 8 -13.076 -4.229 5.266 1.00 1.00 C ATOM 113 CE2 TYR A 8 -14.182 -3.028 3.474 1.00 1.00 C ATOM 114 CZ TYR A 8 -14.042 -4.181 4.253 1.00 1.00 C ATOM 115 OH TYR A 8 -14.855 -5.268 4.020 1.00 1.00 O ATOM 0 H TYR A 8 -9.110 -1.675 5.835 1.00 1.00 H new ATOM 0 HA TYR A 8 -10.375 -1.273 3.168 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.298 -0.655 6.026 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -12.008 0.150 4.640 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -11.507 -3.155 6.283 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -13.470 -1.034 3.103 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -12.967 -5.120 5.866 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -14.926 -2.992 2.692 1.00 1.00 H new ATOM 0 HH TYR A 8 -14.847 -5.484 3.064 1.00 1.00 H new ATOM 125 N VAL A 9 -9.332 0.932 2.882 1.00 1.00 N ATOM 126 CA VAL A 9 -8.672 2.218 2.658 1.00 1.00 C ATOM 127 C VAL A 9 -9.606 3.354 3.059 1.00 1.00 C ATOM 128 O VAL A 9 -10.742 3.424 2.592 1.00 1.00 O ATOM 129 CB VAL A 9 -8.307 2.341 1.170 1.00 1.00 C ATOM 130 CG1 VAL A 9 -7.715 3.729 0.878 1.00 1.00 C ATOM 131 CG2 VAL A 9 -7.280 1.261 0.818 1.00 1.00 C ATOM 0 H VAL A 9 -9.678 0.483 2.034 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.767 2.277 3.262 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.206 2.212 0.568 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.461 3.801 -0.180 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.447 4.497 1.129 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -6.816 3.875 1.477 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.015 1.341 -0.236 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.387 1.396 1.428 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.706 0.277 1.012 1.00 1.00 H new ATOM 141 N MET A 10 -9.138 4.226 3.950 1.00 1.00 N ATOM 142 CA MET A 10 -9.963 5.333 4.428 1.00 1.00 C ATOM 143 C MET A 10 -10.174 6.382 3.344 1.00 1.00 C ATOM 144 O MET A 10 -11.296 6.582 2.882 1.00 1.00 O ATOM 145 CB MET A 10 -9.292 5.984 5.642 1.00 1.00 C ATOM 146 CG MET A 10 -8.937 4.912 6.681 1.00 1.00 C ATOM 147 SD MET A 10 -10.446 4.100 7.269 1.00 1.00 S ATOM 148 CE MET A 10 -9.683 3.107 8.572 1.00 1.00 C ATOM 0 H MET A 10 -8.201 4.189 4.352 1.00 1.00 H new ATOM 0 HA MET A 10 -10.938 4.932 4.706 1.00 1.00 H new ATOM 0 HB2 MET A 10 -8.391 6.513 5.330 1.00 1.00 H new ATOM 0 HB3 MET A 10 -9.959 6.724 6.084 1.00 1.00 H new ATOM 0 HG2 MET A 10 -8.265 4.175 6.241 1.00 1.00 H new ATOM 0 HG3 MET A 10 -8.408 5.366 7.519 1.00 1.00 H new ATOM 0 HE1 MET A 10 -10.449 2.516 9.075 1.00 1.00 H new ATOM 0 HE2 MET A 10 -8.940 2.441 8.134 1.00 1.00 H new ATOM 0 HE3 MET A 10 -9.200 3.764 9.295 1.00 1.00 H new ATOM 158 N SER A 11 -9.092 7.064 2.949 1.00 1.00 N ATOM 159 CA SER A 11 -9.183 8.112 1.920 1.00 1.00 C ATOM 160 C SER A 11 -8.014 8.025 0.944 1.00 1.00 C ATOM 161 O SER A 11 -7.084 7.247 1.137 1.00 1.00 O ATOM 162 CB SER A 11 -9.194 9.488 2.586 1.00 1.00 C ATOM 163 OG SER A 11 -9.237 10.499 1.587 1.00 1.00 O ATOM 0 H SER A 11 -8.154 6.913 3.320 1.00 1.00 H new ATOM 0 HA SER A 11 -10.108 7.965 1.362 1.00 1.00 H new ATOM 0 HB2 SER A 11 -10.057 9.577 3.246 1.00 1.00 H new ATOM 0 HB3 SER A 11 -8.305 9.611 3.205 1.00 1.00 H new ATOM 0 HG SER A 11 -9.246 11.381 2.014 1.00 1.00 H new ATOM 169 N VAL A 12 -8.077 8.849 -0.105 1.00 1.00 N ATOM 170 CA VAL A 12 -7.034 8.905 -1.138 1.00 1.00 C ATOM 171 C VAL A 12 -6.555 10.342 -1.256 1.00 1.00 C ATOM 172 O VAL A 12 -7.366 11.264 -1.297 1.00 1.00 O ATOM 173 CB VAL A 12 -7.593 8.422 -2.494 1.00 1.00 C ATOM 174 CG1 VAL A 12 -8.899 9.162 -2.824 1.00 1.00 C ATOM 175 CG2 VAL A 12 -6.558 8.662 -3.619 1.00 1.00 C ATOM 0 H VAL A 12 -8.850 9.496 -0.264 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.205 8.253 -0.861 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.797 7.354 -2.422 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -9.283 8.813 -3.782 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -9.635 8.966 -2.045 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.706 10.233 -2.879 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.966 8.317 -4.569 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.334 9.727 -3.686 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.644 8.112 -3.396 1.00 1.00 H new ATOM 185 N LEU A 13 -5.231 10.530 -1.290 1.00 1.00 N ATOM 186 CA LEU A 13 -4.657 11.871 -1.382 1.00 1.00 C ATOM 187 C LEU A 13 -3.955 12.081 -2.732 1.00 1.00 C ATOM 188 O LEU A 13 -2.946 11.442 -3.002 1.00 1.00 O ATOM 189 CB LEU A 13 -3.671 12.075 -0.236 1.00 1.00 C ATOM 190 CG LEU A 13 -4.346 11.707 1.097 1.00 1.00 C ATOM 191 CD1 LEU A 13 -3.349 11.936 2.231 1.00 1.00 C ATOM 192 CD2 LEU A 13 -5.614 12.573 1.334 1.00 1.00 C ATOM 0 H LEU A 13 -4.545 9.776 -1.255 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.461 12.603 -1.309 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.786 11.457 -0.390 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.336 13.112 -0.211 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.650 10.661 1.065 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.815 11.679 3.182 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.471 11.309 2.076 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -3.049 12.984 2.245 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -6.073 12.294 2.282 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -5.335 13.626 1.362 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -6.325 12.407 0.524 1.00 1.00 H new ATOM 204 N PRO A 14 -4.449 12.969 -3.581 1.00 1.00 N ATOM 205 CA PRO A 14 -3.815 13.233 -4.908 1.00 1.00 C ATOM 206 C PRO A 14 -2.293 13.379 -4.800 1.00 1.00 C ATOM 207 O PRO A 14 -1.761 13.585 -3.711 1.00 1.00 O ATOM 208 CB PRO A 14 -4.472 14.557 -5.358 1.00 1.00 C ATOM 209 CG PRO A 14 -5.824 14.565 -4.705 1.00 1.00 C ATOM 210 CD PRO A 14 -5.655 13.808 -3.383 1.00 1.00 C ATOM 0 HA PRO A 14 -3.966 12.415 -5.612 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -3.879 15.417 -5.047 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -4.558 14.605 -6.444 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -6.168 15.585 -4.530 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -6.567 14.082 -5.339 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -5.526 14.495 -2.547 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -6.530 13.197 -3.162 1.00 1.00 H new ATOM 218 N ASN A 15 -1.624 13.266 -5.945 1.00 1.00 N ATOM 219 CA ASN A 15 -0.168 13.386 -6.015 1.00 1.00 C ATOM 220 C ASN A 15 0.509 12.215 -5.325 1.00 1.00 C ATOM 221 O ASN A 15 1.681 12.310 -4.959 1.00 1.00 O ATOM 222 CB ASN A 15 0.294 14.703 -5.361 1.00 1.00 C ATOM 223 CG ASN A 15 -0.614 15.839 -5.805 1.00 1.00 C ATOM 224 OD1 ASN A 15 -1.400 16.355 -5.008 1.00 1.00 O ATOM 225 ND2 ASN A 15 -0.556 16.260 -7.037 1.00 1.00 N ATOM 0 H ASN A 15 -2.071 13.090 -6.845 1.00 1.00 H new ATOM 0 HA ASN A 15 0.116 13.385 -7.067 1.00 1.00 H new ATOM 0 HB2 ASN A 15 0.271 14.609 -4.275 1.00 1.00 H new ATOM 0 HB3 ASN A 15 1.325 14.918 -5.641 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -1.163 17.020 -7.345 1.00 1.00 H new ATOM 0 HD22 ASN A 15 0.096 15.830 -7.693 1.00 1.00 H new ATOM 232 N MET A 16 -0.235 11.116 -5.131 1.00 1.00 N ATOM 233 CA MET A 16 0.312 9.928 -4.457 1.00 1.00 C ATOM 234 C MET A 16 0.470 8.760 -5.438 1.00 1.00 C ATOM 235 O MET A 16 -0.154 8.748 -6.499 1.00 1.00 O ATOM 236 CB MET A 16 -0.614 9.522 -3.289 1.00 1.00 C ATOM 237 CG MET A 16 -0.321 10.395 -2.059 1.00 1.00 C ATOM 238 SD MET A 16 1.278 9.920 -1.350 1.00 1.00 S ATOM 239 CE MET A 16 1.241 11.038 0.073 1.00 1.00 C ATOM 0 H MET A 16 -1.207 11.024 -5.427 1.00 1.00 H new ATOM 0 HA MET A 16 1.300 10.175 -4.068 1.00 1.00 H new ATOM 0 HB2 MET A 16 -1.657 9.634 -3.585 1.00 1.00 H new ATOM 0 HB3 MET A 16 -0.464 8.471 -3.043 1.00 1.00 H new ATOM 0 HG2 MET A 16 -0.308 11.448 -2.341 1.00 1.00 H new ATOM 0 HG3 MET A 16 -1.110 10.274 -1.317 1.00 1.00 H new ATOM 0 HE1 MET A 16 2.150 10.910 0.660 1.00 1.00 H new ATOM 0 HE2 MET A 16 1.177 12.069 -0.276 1.00 1.00 H new ATOM 0 HE3 MET A 16 0.374 10.810 0.692 1.00 1.00 H new ATOM 249 N PRO A 17 1.293 7.781 -5.108 1.00 1.00 N ATOM 250 CA PRO A 17 1.515 6.607 -6.000 1.00 1.00 C ATOM 251 C PRO A 17 0.213 5.877 -6.365 1.00 1.00 C ATOM 252 O PRO A 17 0.055 5.415 -7.493 1.00 1.00 O ATOM 253 CB PRO A 17 2.450 5.689 -5.183 1.00 1.00 C ATOM 254 CG PRO A 17 3.127 6.592 -4.196 1.00 1.00 C ATOM 255 CD PRO A 17 2.100 7.669 -3.864 1.00 1.00 C ATOM 0 HA PRO A 17 1.936 6.911 -6.958 1.00 1.00 H new ATOM 0 HB2 PRO A 17 1.887 4.905 -4.677 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.177 5.195 -5.827 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.425 6.044 -3.302 1.00 1.00 H new ATOM 0 HG3 PRO A 17 4.032 7.029 -4.619 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.484 7.385 -3.011 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.579 8.615 -3.611 1.00 1.00 H new ATOM 263 N ALA A 18 -0.700 5.743 -5.394 1.00 1.00 N ATOM 264 CA ALA A 18 -1.965 5.024 -5.607 1.00 1.00 C ATOM 265 C ALA A 18 -3.037 5.936 -6.223 1.00 1.00 C ATOM 266 O ALA A 18 -4.083 5.470 -6.674 1.00 1.00 O ATOM 267 CB ALA A 18 -2.440 4.455 -4.245 1.00 1.00 C ATOM 0 H ALA A 18 -0.587 6.122 -4.454 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.802 4.211 -6.314 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.378 3.918 -4.383 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.685 3.773 -3.852 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.591 5.274 -3.541 1.00 1.00 H new ATOM 273 N ALA A 19 -2.766 7.232 -6.223 1.00 1.00 N ATOM 274 CA ALA A 19 -3.715 8.191 -6.776 1.00 1.00 C ATOM 275 C ALA A 19 -3.840 8.011 -8.285 1.00 1.00 C ATOM 276 O ALA A 19 -2.842 7.937 -8.999 1.00 1.00 O ATOM 277 CB ALA A 19 -3.275 9.622 -6.465 1.00 1.00 C ATOM 0 H ALA A 19 -1.909 7.642 -5.852 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.686 8.010 -6.315 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.995 10.324 -6.886 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -3.222 9.760 -5.385 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.293 9.804 -6.902 1.00 1.00 H new ATOM 283 N GLY A 20 -5.085 7.943 -8.760 1.00 1.00 N ATOM 284 CA GLY A 20 -5.370 7.767 -10.193 1.00 1.00 C ATOM 285 C GLY A 20 -5.599 6.298 -10.531 1.00 1.00 C ATOM 286 O GLY A 20 -6.100 5.968 -11.608 1.00 1.00 O ATOM 0 H GLY A 20 -5.918 8.007 -8.174 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.251 8.348 -10.466 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.539 8.154 -10.782 1.00 1.00 H new ATOM 290 N ARG A 21 -5.220 5.415 -9.604 1.00 1.00 N ATOM 291 CA ARG A 21 -5.368 3.962 -9.791 1.00 1.00 C ATOM 292 C ARG A 21 -6.069 3.335 -8.598 1.00 1.00 C ATOM 293 O ARG A 21 -6.679 2.271 -8.710 1.00 1.00 O ATOM 294 CB ARG A 21 -3.987 3.326 -9.973 1.00 1.00 C ATOM 295 CG ARG A 21 -3.029 3.743 -8.844 1.00 1.00 C ATOM 296 CD ARG A 21 -1.597 3.321 -9.207 1.00 1.00 C ATOM 297 NE ARG A 21 -1.590 1.923 -9.648 1.00 1.00 N ATOM 298 CZ ARG A 21 -1.589 1.576 -10.944 1.00 1.00 C ATOM 299 NH1 ARG A 21 -1.635 2.491 -11.877 1.00 1.00 N ATOM 300 NH2 ARG A 21 -1.554 0.311 -11.281 1.00 1.00 N ATOM 0 H ARG A 21 -4.806 5.679 -8.710 1.00 1.00 H new ATOM 0 HA ARG A 21 -5.974 3.784 -10.680 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -4.083 2.240 -9.989 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -3.571 3.624 -10.935 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -3.075 4.822 -8.693 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -3.330 3.277 -7.906 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -1.208 3.963 -9.997 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.942 3.443 -8.344 1.00 1.00 H new ATOM 0 HE ARG A 21 -1.586 1.186 -8.943 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.672 3.478 -11.622 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.634 2.218 -12.860 1.00 1.00 H new ATOM 0 HH21 ARG A 21 -1.528 -0.409 -10.559 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -1.553 0.045 -12.266 1.00 1.00 H new ATOM 314 N LEU A 22 -5.984 4.018 -7.463 1.00 1.00 N ATOM 315 CA LEU A 22 -6.621 3.552 -6.225 1.00 1.00 C ATOM 316 C LEU A 22 -7.577 4.610 -5.692 1.00 1.00 C ATOM 317 O LEU A 22 -7.356 5.808 -5.876 1.00 1.00 O ATOM 318 CB LEU A 22 -5.562 3.220 -5.175 1.00 1.00 C ATOM 319 CG LEU A 22 -6.197 2.445 -4.002 1.00 1.00 C ATOM 320 CD1 LEU A 22 -6.763 1.068 -4.470 1.00 1.00 C ATOM 321 CD2 LEU A 22 -5.123 2.226 -2.940 1.00 1.00 C ATOM 0 H LEU A 22 -5.480 4.900 -7.368 1.00 1.00 H new ATOM 0 HA LEU A 22 -7.188 2.648 -6.446 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.767 2.625 -5.625 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -5.104 4.138 -4.808 1.00 1.00 H new ATOM 0 HG LEU A 22 -7.029 3.023 -3.599 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -7.203 0.548 -3.619 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.526 1.228 -5.232 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -5.956 0.465 -4.886 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -5.549 1.679 -2.099 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -4.301 1.652 -3.367 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -4.751 3.191 -2.594 1.00 1.00 H new ATOM 333 N GLU A 23 -8.655 4.160 -5.037 1.00 1.00 N ATOM 334 CA GLU A 23 -9.662 5.081 -4.496 1.00 1.00 C ATOM 335 C GLU A 23 -10.219 4.572 -3.166 1.00 1.00 C ATOM 336 O GLU A 23 -10.171 3.380 -2.858 1.00 1.00 O ATOM 337 CB GLU A 23 -10.812 5.236 -5.515 1.00 1.00 C ATOM 338 CG GLU A 23 -10.405 6.177 -6.666 1.00 1.00 C ATOM 339 CD GLU A 23 -10.305 7.616 -6.170 1.00 1.00 C ATOM 340 OE1 GLU A 23 -11.278 8.097 -5.610 1.00 1.00 O ATOM 341 OE2 GLU A 23 -9.260 8.218 -6.358 1.00 1.00 O ATOM 0 H GLU A 23 -8.851 3.173 -4.870 1.00 1.00 H new ATOM 0 HA GLU A 23 -9.187 6.046 -4.318 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -11.081 4.259 -5.917 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -11.696 5.629 -5.014 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -9.447 5.862 -7.080 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -11.137 6.114 -7.471 1.00 1.00 H new ATOM 348 N ALA A 24 -10.758 5.507 -2.400 1.00 1.00 N ATOM 349 CA ALA A 24 -11.339 5.187 -1.110 1.00 1.00 C ATOM 350 C ALA A 24 -12.441 4.151 -1.303 1.00 1.00 C ATOM 351 O ALA A 24 -13.240 4.257 -2.233 1.00 1.00 O ATOM 352 CB ALA A 24 -11.914 6.454 -0.454 1.00 1.00 C ATOM 0 H ALA A 24 -10.804 6.494 -2.651 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.567 4.782 -0.456 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -12.347 6.199 0.513 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -11.117 7.185 -0.314 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.686 6.878 -1.096 1.00 1.00 H new ATOM 358 N GLY A 25 -12.473 3.140 -0.435 1.00 1.00 N ATOM 359 CA GLY A 25 -13.473 2.067 -0.521 1.00 1.00 C ATOM 360 C GLY A 25 -12.806 0.763 -0.945 1.00 1.00 C ATOM 361 O GLY A 25 -13.267 -0.322 -0.591 1.00 1.00 O ATOM 0 H GLY A 25 -11.817 3.038 0.339 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -13.963 1.937 0.444 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.248 2.338 -1.238 1.00 1.00 H new ATOM 365 N ASP A 26 -11.712 0.877 -1.699 1.00 1.00 N ATOM 366 CA ASP A 26 -10.982 -0.311 -2.153 1.00 1.00 C ATOM 367 C ASP A 26 -10.259 -0.970 -0.978 1.00 1.00 C ATOM 368 O ASP A 26 -9.799 -0.284 -0.066 1.00 1.00 O ATOM 369 CB ASP A 26 -9.968 0.082 -3.232 1.00 1.00 C ATOM 370 CG ASP A 26 -10.667 0.904 -4.307 1.00 1.00 C ATOM 371 OD1 ASP A 26 -11.772 0.540 -4.674 1.00 1.00 O ATOM 372 OD2 ASP A 26 -10.092 1.885 -4.745 1.00 1.00 O ATOM 0 H ASP A 26 -11.315 1.765 -2.006 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.695 -1.022 -2.571 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.155 0.657 -2.790 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.524 -0.811 -3.672 1.00 1.00 H new ATOM 377 N ARG A 27 -10.161 -2.308 -1.007 1.00 1.00 N ATOM 378 CA ARG A 27 -9.489 -3.072 0.057 1.00 1.00 C ATOM 379 C ARG A 27 -8.249 -3.762 -0.492 1.00 1.00 C ATOM 380 O ARG A 27 -8.116 -3.941 -1.700 1.00 1.00 O ATOM 381 CB ARG A 27 -10.442 -4.123 0.638 1.00 1.00 C ATOM 382 CG ARG A 27 -11.014 -5.022 -0.473 1.00 1.00 C ATOM 383 CD ARG A 27 -11.694 -6.240 0.168 1.00 1.00 C ATOM 384 NE ARG A 27 -10.691 -7.084 0.801 1.00 1.00 N ATOM 385 CZ ARG A 27 -11.021 -8.243 1.364 1.00 1.00 C ATOM 386 NH1 ARG A 27 -12.266 -8.644 1.356 1.00 1.00 N ATOM 387 NH2 ARG A 27 -10.099 -8.982 1.916 1.00 1.00 N ATOM 0 H ARG A 27 -10.540 -2.885 -1.758 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.195 -2.379 0.845 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -9.913 -4.734 1.369 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.257 -3.628 1.166 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.731 -4.465 -1.076 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.217 -5.345 -1.143 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -12.427 -5.913 0.906 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.235 -6.807 -0.589 1.00 1.00 H new ATOM 0 HE ARG A 27 -9.717 -6.781 0.813 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -12.985 -8.068 0.918 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -12.518 -9.533 1.788 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -9.128 -8.671 1.915 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -10.349 -9.871 2.348 1.00 1.00 H new ATOM 401 N ILE A 28 -7.346 -4.165 0.406 1.00 1.00 N ATOM 402 CA ILE A 28 -6.109 -4.846 0.003 1.00 1.00 C ATOM 403 C ILE A 28 -6.250 -6.351 0.188 1.00 1.00 C ATOM 404 O ILE A 28 -6.468 -6.836 1.296 1.00 1.00 O ATOM 405 CB ILE A 28 -4.927 -4.330 0.845 1.00 1.00 C ATOM 406 CG1 ILE A 28 -4.972 -2.792 0.914 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.599 -4.782 0.222 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.052 -2.170 -0.494 1.00 1.00 C ATOM 0 H ILE A 28 -7.446 -4.033 1.413 1.00 1.00 H new ATOM 0 HA ILE A 28 -5.922 -4.634 -1.050 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.003 -4.740 1.852 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -5.834 -2.477 1.502 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.084 -2.423 1.427 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -2.770 -4.412 0.825 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.565 -5.871 0.188 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.518 -4.384 -0.790 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.082 -1.084 -0.411 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.177 -2.465 -1.072 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.954 -2.521 -0.996 1.00 1.00 H new ATOM 420 N ALA A 29 -6.122 -7.085 -0.916 1.00 1.00 N ATOM 421 CA ALA A 29 -6.235 -8.548 -0.887 1.00 1.00 C ATOM 422 C ALA A 29 -4.857 -9.193 -0.733 1.00 1.00 C ATOM 423 O ALA A 29 -4.757 -10.351 -0.330 1.00 1.00 O ATOM 424 CB ALA A 29 -6.893 -9.037 -2.185 1.00 1.00 C ATOM 0 H ALA A 29 -5.940 -6.695 -1.841 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.849 -8.835 -0.033 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.977 -10.124 -2.163 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.886 -8.598 -2.277 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.283 -8.737 -3.037 1.00 1.00 H new ATOM 430 N ALA A 30 -3.817 -8.432 -1.048 1.00 1.00 N ATOM 431 CA ALA A 30 -2.453 -8.946 -0.939 1.00 1.00 C ATOM 432 C ALA A 30 -1.426 -7.874 -1.293 1.00 1.00 C ATOM 433 O ALA A 30 -1.740 -6.863 -1.917 1.00 1.00 O ATOM 434 CB ALA A 30 -2.271 -10.169 -1.856 1.00 1.00 C ATOM 0 H ALA A 30 -3.887 -7.469 -1.377 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.290 -9.244 0.097 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.251 -10.543 -1.766 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.971 -10.951 -1.563 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.462 -9.880 -2.890 1.00 1.00 H new ATOM 440 N ILE A 31 -0.181 -8.145 -0.915 1.00 1.00 N ATOM 441 CA ILE A 31 0.940 -7.242 -1.219 1.00 1.00 C ATOM 442 C ILE A 31 2.165 -8.055 -1.614 1.00 1.00 C ATOM 443 O ILE A 31 2.644 -8.885 -0.846 1.00 1.00 O ATOM 444 CB ILE A 31 1.270 -6.326 -0.023 1.00 1.00 C ATOM 445 CG1 ILE A 31 0.061 -5.423 0.261 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.493 -5.448 -0.360 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.332 -4.540 1.482 1.00 1.00 C ATOM 0 H ILE A 31 0.084 -8.982 -0.396 1.00 1.00 H new ATOM 0 HA ILE A 31 0.644 -6.604 -2.052 1.00 1.00 H new ATOM 0 HB ILE A 31 1.496 -6.935 0.852 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.148 -4.799 -0.608 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.825 -6.034 0.435 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.722 -4.803 0.488 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.351 -6.086 -0.573 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.271 -4.835 -1.233 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.534 -3.905 1.671 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.518 -5.170 2.352 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.205 -3.916 1.293 1.00 1.00 H new ATOM 459 N ASP A 32 2.682 -7.787 -2.805 1.00 1.00 N ATOM 460 CA ASP A 32 3.871 -8.479 -3.300 1.00 1.00 C ATOM 461 C ASP A 32 3.721 -9.995 -3.153 1.00 1.00 C ATOM 462 O ASP A 32 4.709 -10.724 -3.097 1.00 1.00 O ATOM 463 CB ASP A 32 5.124 -7.983 -2.545 1.00 1.00 C ATOM 464 CG ASP A 32 5.584 -6.635 -3.103 1.00 1.00 C ATOM 465 OD1 ASP A 32 4.804 -6.009 -3.801 1.00 1.00 O ATOM 466 OD2 ASP A 32 6.707 -6.250 -2.823 1.00 1.00 O ATOM 0 H ASP A 32 2.299 -7.095 -3.449 1.00 1.00 H new ATOM 0 HA ASP A 32 3.986 -8.254 -4.360 1.00 1.00 H new ATOM 0 HB2 ASP A 32 4.902 -7.887 -1.482 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.926 -8.715 -2.638 1.00 1.00 H new ATOM 471 N GLY A 33 2.473 -10.464 -3.108 1.00 1.00 N ATOM 472 CA GLY A 33 2.191 -11.898 -2.990 1.00 1.00 C ATOM 473 C GLY A 33 1.889 -12.298 -1.554 1.00 1.00 C ATOM 474 O GLY A 33 1.552 -13.447 -1.303 1.00 1.00 O ATOM 0 H GLY A 33 1.642 -9.874 -3.151 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.343 -12.155 -3.625 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.046 -12.468 -3.354 1.00 1.00 H new ATOM 478 N GLN A 34 2.044 -11.355 -0.618 1.00 1.00 N ATOM 479 CA GLN A 34 1.799 -11.628 0.811 1.00 1.00 C ATOM 480 C GLN A 34 0.351 -11.274 1.207 1.00 1.00 C ATOM 481 O GLN A 34 0.018 -10.093 1.301 1.00 1.00 O ATOM 482 CB GLN A 34 2.761 -10.803 1.672 1.00 1.00 C ATOM 483 CG GLN A 34 4.203 -11.063 1.217 1.00 1.00 C ATOM 484 CD GLN A 34 4.560 -12.543 1.385 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.092 -13.197 2.318 1.00 1.00 O ATOM 486 NE2 GLN A 34 5.358 -13.113 0.522 1.00 1.00 N ATOM 0 H GLN A 34 2.337 -10.399 -0.818 1.00 1.00 H new ATOM 0 HA GLN A 34 1.961 -12.693 0.978 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.526 -9.742 1.585 1.00 1.00 H new ATOM 0 HB3 GLN A 34 2.646 -11.069 2.723 1.00 1.00 H new ATOM 0 HG2 GLN A 34 4.320 -10.771 0.173 1.00 1.00 H new ATOM 0 HG3 GLN A 34 4.890 -10.449 1.799 1.00 1.00 H new ATOM 0 HE21 GLN A 34 5.745 -12.571 -0.250 1.00 1.00 H new ATOM 0 HE22 GLN A 34 5.594 -14.100 0.620 1.00 1.00 H new ATOM 495 N PRO A 35 -0.514 -12.254 1.458 1.00 1.00 N ATOM 496 CA PRO A 35 -1.930 -11.976 1.868 1.00 1.00 C ATOM 497 C PRO A 35 -1.991 -11.160 3.167 1.00 1.00 C ATOM 498 O PRO A 35 -1.244 -11.419 4.109 1.00 1.00 O ATOM 499 CB PRO A 35 -2.542 -13.389 2.071 1.00 1.00 C ATOM 500 CG PRO A 35 -1.654 -14.316 1.300 1.00 1.00 C ATOM 501 CD PRO A 35 -0.262 -13.704 1.381 1.00 1.00 C ATOM 0 HA PRO A 35 -2.467 -11.383 1.128 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -2.570 -13.658 3.127 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -3.568 -13.430 1.704 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -1.668 -15.319 1.727 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -1.984 -14.406 0.265 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.281 -14.062 2.256 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.338 -13.959 0.507 1.00 1.00 H new ATOM 509 N ILE A 36 -2.873 -10.156 3.189 1.00 1.00 N ATOM 510 CA ILE A 36 -3.019 -9.280 4.363 1.00 1.00 C ATOM 511 C ILE A 36 -4.261 -9.632 5.187 1.00 1.00 C ATOM 512 O ILE A 36 -5.399 -9.464 4.746 1.00 1.00 O ATOM 513 CB ILE A 36 -3.122 -7.821 3.912 1.00 1.00 C ATOM 514 CG1 ILE A 36 -1.964 -7.488 2.955 1.00 1.00 C ATOM 515 CG2 ILE A 36 -3.074 -6.886 5.130 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.594 -7.822 3.577 1.00 1.00 C ATOM 0 H ILE A 36 -3.495 -9.928 2.413 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.139 -9.425 4.989 1.00 1.00 H new ATOM 0 HB ILE A 36 -4.070 -7.678 3.393 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -2.088 -8.046 2.027 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -1.998 -6.429 2.698 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -3.148 -5.851 4.797 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.906 -7.113 5.796 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.134 -7.030 5.662 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.197 -7.572 2.870 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.459 -7.244 4.491 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.550 -8.886 3.810 1.00 1.00 H new ATOM 528 N ASN A 37 -3.998 -10.119 6.399 1.00 1.00 N ATOM 529 CA ASN A 37 -5.056 -10.507 7.349 1.00 1.00 C ATOM 530 C ASN A 37 -5.061 -9.606 8.584 1.00 1.00 C ATOM 531 O ASN A 37 -6.065 -9.518 9.288 1.00 1.00 O ATOM 532 CB ASN A 37 -4.872 -11.962 7.791 1.00 1.00 C ATOM 533 CG ASN A 37 -3.544 -12.143 8.517 1.00 1.00 C ATOM 534 OD1 ASN A 37 -2.812 -11.177 8.730 1.00 1.00 O ATOM 535 ND2 ASN A 37 -3.194 -13.337 8.921 1.00 1.00 N ATOM 0 H ASN A 37 -3.052 -10.258 6.755 1.00 1.00 H new ATOM 0 HA ASN A 37 -6.010 -10.396 6.833 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -5.693 -12.254 8.446 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.909 -12.618 6.922 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -2.311 -13.470 9.415 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -3.804 -14.135 8.742 1.00 1.00 H new ATOM 542 N THR A 38 -3.934 -8.937 8.844 1.00 1.00 N ATOM 543 CA THR A 38 -3.812 -8.036 10.003 1.00 1.00 C ATOM 544 C THR A 38 -3.154 -6.723 9.602 1.00 1.00 C ATOM 545 O THR A 38 -2.471 -6.641 8.578 1.00 1.00 O ATOM 546 CB THR A 38 -2.972 -8.692 11.100 1.00 1.00 C ATOM 547 OG1 THR A 38 -1.715 -9.049 10.559 1.00 1.00 O ATOM 548 CG2 THR A 38 -3.662 -9.940 11.639 1.00 1.00 C ATOM 0 H THR A 38 -3.092 -8.999 8.271 1.00 1.00 H new ATOM 0 HA THR A 38 -4.817 -7.837 10.375 1.00 1.00 H new ATOM 0 HB THR A 38 -2.848 -7.986 11.921 1.00 1.00 H new ATOM 0 HG1 THR A 38 -1.443 -9.922 10.911 1.00 1.00 H new ATOM 0 HG21 THR A 38 -3.046 -10.389 12.418 1.00 1.00 H new ATOM 0 HG22 THR A 38 -4.632 -9.668 12.055 1.00 1.00 H new ATOM 0 HG23 THR A 38 -3.803 -10.656 10.830 1.00 1.00 H new ATOM 556 N SER A 39 -3.354 -5.702 10.432 1.00 1.00 N ATOM 557 CA SER A 39 -2.769 -4.388 10.184 1.00 1.00 C ATOM 558 C SER A 39 -1.292 -4.393 10.564 1.00 1.00 C ATOM 559 O SER A 39 -0.495 -3.634 10.013 1.00 1.00 O ATOM 560 CB SER A 39 -3.499 -3.331 11.009 1.00 1.00 C ATOM 561 OG SER A 39 -3.392 -3.653 12.388 1.00 1.00 O ATOM 0 H SER A 39 -3.916 -5.760 11.281 1.00 1.00 H new ATOM 0 HA SER A 39 -2.868 -4.155 9.124 1.00 1.00 H new ATOM 0 HB2 SER A 39 -3.071 -2.347 10.820 1.00 1.00 H new ATOM 0 HB3 SER A 39 -4.548 -3.285 10.715 1.00 1.00 H new ATOM 0 HG SER A 39 -3.859 -2.975 12.919 1.00 1.00 H new ATOM 567 N GLU A 40 -0.936 -5.256 11.513 1.00 1.00 N ATOM 568 CA GLU A 40 0.443 -5.359 11.971 1.00 1.00 C ATOM 569 C GLU A 40 1.341 -5.925 10.878 1.00 1.00 C ATOM 570 O GLU A 40 2.528 -5.609 10.810 1.00 1.00 O ATOM 571 CB GLU A 40 0.510 -6.262 13.221 1.00 1.00 C ATOM 572 CG GLU A 40 0.316 -7.741 12.834 1.00 1.00 C ATOM 573 CD GLU A 40 0.064 -8.596 14.072 1.00 1.00 C ATOM 574 OE1 GLU A 40 0.644 -8.298 15.102 1.00 1.00 O ATOM 575 OE2 GLU A 40 -0.704 -9.539 13.968 1.00 1.00 O ATOM 0 H GLU A 40 -1.584 -5.892 11.978 1.00 1.00 H new ATOM 0 HA GLU A 40 0.797 -4.359 12.222 1.00 1.00 H new ATOM 0 HB2 GLU A 40 1.472 -6.134 13.718 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -0.259 -5.963 13.934 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -0.523 -7.834 12.145 1.00 1.00 H new ATOM 0 HG3 GLU A 40 1.200 -8.104 12.310 1.00 1.00 H new ATOM 582 N GLN A 41 0.768 -6.772 10.024 1.00 1.00 N ATOM 583 CA GLN A 41 1.539 -7.374 8.954 1.00 1.00 C ATOM 584 C GLN A 41 2.016 -6.296 7.997 1.00 1.00 C ATOM 585 O GLN A 41 3.051 -6.447 7.351 1.00 1.00 O ATOM 586 CB GLN A 41 0.682 -8.431 8.221 1.00 1.00 C ATOM 587 CG GLN A 41 0.760 -9.775 8.961 1.00 1.00 C ATOM 588 CD GLN A 41 -0.188 -10.785 8.320 1.00 1.00 C ATOM 589 OE1 GLN A 41 -0.929 -10.423 7.306 1.00 1.00 O flip ATOM 590 NE2 GLN A 41 -0.251 -11.937 8.750 1.00 1.00 N flip ATOM 0 H GLN A 41 -0.213 -7.050 10.056 1.00 1.00 H new ATOM 0 HA GLN A 41 2.414 -7.874 9.369 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.354 -8.097 8.166 1.00 1.00 H new ATOM 0 HB3 GLN A 41 1.034 -8.550 7.196 1.00 1.00 H new ATOM 0 HG2 GLN A 41 1.781 -10.155 8.933 1.00 1.00 H new ATOM 0 HG3 GLN A 41 0.500 -9.636 10.010 1.00 1.00 H new ATOM 0 HE21 GLN A 41 0.328 -12.218 9.541 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -0.882 -12.610 8.315 1.00 1.00 H new ATOM 599 N ILE A 42 1.267 -5.200 7.916 1.00 1.00 N ATOM 600 CA ILE A 42 1.628 -4.096 7.039 1.00 1.00 C ATOM 601 C ILE A 42 2.731 -3.264 7.660 1.00 1.00 C ATOM 602 O ILE A 42 3.496 -2.638 6.946 1.00 1.00 O ATOM 603 CB ILE A 42 0.392 -3.209 6.775 1.00 1.00 C ATOM 604 CG1 ILE A 42 -0.689 -4.021 6.000 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.801 -1.949 5.972 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.381 -4.070 4.492 1.00 1.00 C ATOM 0 H ILE A 42 0.408 -5.055 8.447 1.00 1.00 H new ATOM 0 HA ILE A 42 1.987 -4.506 6.095 1.00 1.00 H new ATOM 0 HB ILE A 42 -0.027 -2.890 7.729 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -0.738 -5.035 6.396 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -1.668 -3.570 6.158 1.00 1.00 H new ATOM 0 HG21 ILE A 42 -0.079 -1.331 5.792 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.535 -1.378 6.540 1.00 1.00 H new ATOM 0 HG23 ILE A 42 1.234 -2.250 5.018 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.154 -4.644 3.981 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.358 -3.056 4.092 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.587 -4.545 4.334 1.00 1.00 H new ATOM 618 N VAL A 43 2.807 -3.274 8.983 1.00 1.00 N ATOM 619 CA VAL A 43 3.837 -2.523 9.703 1.00 1.00 C ATOM 620 C VAL A 43 5.207 -3.168 9.490 1.00 1.00 C ATOM 621 O VAL A 43 6.208 -2.481 9.296 1.00 1.00 O ATOM 622 CB VAL A 43 3.493 -2.488 11.196 1.00 1.00 C ATOM 623 CG1 VAL A 43 4.570 -1.719 11.971 1.00 1.00 C ATOM 624 CG2 VAL A 43 2.135 -1.805 11.387 1.00 1.00 C ATOM 0 H VAL A 43 2.168 -3.794 9.585 1.00 1.00 H new ATOM 0 HA VAL A 43 3.873 -1.503 9.319 1.00 1.00 H new ATOM 0 HB VAL A 43 3.448 -3.509 11.576 1.00 1.00 H new ATOM 0 HG11 VAL A 43 4.313 -1.702 13.030 1.00 1.00 H new ATOM 0 HG12 VAL A 43 5.534 -2.210 11.839 1.00 1.00 H new ATOM 0 HG13 VAL A 43 4.629 -0.698 11.595 1.00 1.00 H new ATOM 0 HG21 VAL A 43 1.887 -1.778 12.448 1.00 1.00 H new ATOM 0 HG22 VAL A 43 2.182 -0.787 11.000 1.00 1.00 H new ATOM 0 HG23 VAL A 43 1.368 -2.363 10.849 1.00 1.00 H new ATOM 634 N SER A 44 5.250 -4.493 9.536 1.00 1.00 N ATOM 635 CA SER A 44 6.507 -5.205 9.332 1.00 1.00 C ATOM 636 C SER A 44 6.939 -5.084 7.870 1.00 1.00 C ATOM 637 O SER A 44 8.123 -4.950 7.562 1.00 1.00 O ATOM 638 CB SER A 44 6.344 -6.678 9.708 1.00 1.00 C ATOM 639 OG SER A 44 5.852 -6.770 11.039 1.00 1.00 O ATOM 0 H SER A 44 4.442 -5.091 9.710 1.00 1.00 H new ATOM 0 HA SER A 44 7.273 -4.762 9.969 1.00 1.00 H new ATOM 0 HB2 SER A 44 5.656 -7.167 9.019 1.00 1.00 H new ATOM 0 HB3 SER A 44 7.300 -7.195 9.625 1.00 1.00 H new ATOM 0 HG SER A 44 5.744 -7.713 11.284 1.00 1.00 H new ATOM 645 N TYR A 45 5.958 -5.164 6.977 1.00 1.00 N ATOM 646 CA TYR A 45 6.229 -5.090 5.540 1.00 1.00 C ATOM 647 C TYR A 45 6.920 -3.768 5.181 1.00 1.00 C ATOM 648 O TYR A 45 8.000 -3.767 4.588 1.00 1.00 O ATOM 649 CB TYR A 45 4.912 -5.238 4.772 1.00 1.00 C ATOM 650 CG TYR A 45 5.172 -5.222 3.282 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.650 -6.378 2.649 1.00 1.00 C ATOM 652 CD2 TYR A 45 4.918 -4.067 2.529 1.00 1.00 C ATOM 653 CE1 TYR A 45 5.875 -6.376 1.268 1.00 1.00 C ATOM 654 CE2 TYR A 45 5.148 -4.067 1.152 1.00 1.00 C ATOM 655 CZ TYR A 45 5.626 -5.220 0.523 1.00 1.00 C ATOM 656 OH TYR A 45 5.837 -5.221 -0.836 1.00 1.00 O ATOM 0 H TYR A 45 4.973 -5.279 7.217 1.00 1.00 H new ATOM 0 HA TYR A 45 6.903 -5.900 5.261 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.421 -6.170 5.053 1.00 1.00 H new ATOM 0 HB3 TYR A 45 4.234 -4.428 5.039 1.00 1.00 H new ATOM 0 HD1 TYR A 45 5.844 -7.269 3.227 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.544 -3.177 3.014 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.241 -7.267 0.778 1.00 1.00 H new ATOM 0 HE2 TYR A 45 4.957 -3.176 0.573 1.00 1.00 H new ATOM 0 HH TYR A 45 6.537 -5.870 -1.058 1.00 1.00 H new ATOM 666 N VAL A 46 6.298 -2.643 5.539 1.00 1.00 N ATOM 667 CA VAL A 46 6.870 -1.336 5.244 1.00 1.00 C ATOM 668 C VAL A 46 8.284 -1.233 5.816 1.00 1.00 C ATOM 669 O VAL A 46 9.171 -0.642 5.199 1.00 1.00 O ATOM 670 CB VAL A 46 5.975 -0.232 5.827 1.00 1.00 C ATOM 671 CG1 VAL A 46 4.639 -0.210 5.088 1.00 1.00 C ATOM 672 CG2 VAL A 46 5.736 -0.483 7.311 1.00 1.00 C ATOM 0 H VAL A 46 5.404 -2.614 6.030 1.00 1.00 H new ATOM 0 HA VAL A 46 6.927 -1.210 4.163 1.00 1.00 H new ATOM 0 HB VAL A 46 6.472 0.730 5.705 1.00 1.00 H new ATOM 0 HG11 VAL A 46 4.006 0.574 5.504 1.00 1.00 H new ATOM 0 HG12 VAL A 46 4.812 -0.014 4.030 1.00 1.00 H new ATOM 0 HG13 VAL A 46 4.144 -1.174 5.202 1.00 1.00 H new ATOM 0 HG21 VAL A 46 5.101 0.305 7.716 1.00 1.00 H new ATOM 0 HG22 VAL A 46 5.246 -1.448 7.443 1.00 1.00 H new ATOM 0 HG23 VAL A 46 6.690 -0.486 7.838 1.00 1.00 H new ATOM 682 N ARG A 47 8.496 -1.828 6.985 1.00 1.00 N ATOM 683 CA ARG A 47 9.814 -1.816 7.619 1.00 1.00 C ATOM 684 C ARG A 47 10.830 -2.603 6.785 1.00 1.00 C ATOM 685 O ARG A 47 11.998 -2.227 6.707 1.00 1.00 O ATOM 686 CB ARG A 47 9.716 -2.406 9.043 1.00 1.00 C ATOM 687 CG ARG A 47 9.065 -1.394 10.022 1.00 1.00 C ATOM 688 CD ARG A 47 10.102 -0.394 10.569 1.00 1.00 C ATOM 689 NE ARG A 47 9.464 0.432 11.577 1.00 1.00 N ATOM 690 CZ ARG A 47 10.070 1.486 12.112 1.00 1.00 C ATOM 691 NH1 ARG A 47 11.287 1.810 11.755 1.00 1.00 N ATOM 692 NH2 ARG A 47 9.435 2.193 13.004 1.00 1.00 N ATOM 0 H ARG A 47 7.777 -2.323 7.513 1.00 1.00 H new ATOM 0 HA ARG A 47 10.158 -0.784 7.683 1.00 1.00 H new ATOM 0 HB2 ARG A 47 9.129 -3.324 9.020 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.711 -2.673 9.399 1.00 1.00 H new ATOM 0 HG2 ARG A 47 8.269 -0.852 9.511 1.00 1.00 H new ATOM 0 HG3 ARG A 47 8.604 -1.932 10.850 1.00 1.00 H new ATOM 0 HD2 ARG A 47 10.951 -0.926 10.998 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.491 0.227 9.762 1.00 1.00 H new ATOM 0 HE ARG A 47 8.521 0.196 11.884 1.00 1.00 H new ATOM 0 HH11 ARG A 47 11.780 1.251 11.059 1.00 1.00 H new ATOM 0 HH12 ARG A 47 11.742 2.622 12.173 1.00 1.00 H new ATOM 0 HH21 ARG A 47 8.488 1.934 13.281 1.00 1.00 H new ATOM 0 HH22 ARG A 47 9.885 3.006 13.425 1.00 1.00 H new ATOM 706 N GLU A 48 10.385 -3.696 6.172 1.00 1.00 N ATOM 707 CA GLU A 48 11.289 -4.510 5.364 1.00 1.00 C ATOM 708 C GLU A 48 11.895 -3.666 4.249 1.00 1.00 C ATOM 709 O GLU A 48 13.089 -3.757 3.960 1.00 1.00 O ATOM 710 CB GLU A 48 10.527 -5.697 4.753 1.00 1.00 C ATOM 711 CG GLU A 48 11.506 -6.630 4.024 1.00 1.00 C ATOM 712 CD GLU A 48 10.765 -7.837 3.451 1.00 1.00 C ATOM 713 OE1 GLU A 48 9.629 -8.055 3.842 1.00 1.00 O ATOM 714 OE2 GLU A 48 11.343 -8.527 2.627 1.00 1.00 O ATOM 0 H GLU A 48 9.424 -4.034 6.217 1.00 1.00 H new ATOM 0 HA GLU A 48 12.086 -4.887 6.004 1.00 1.00 H new ATOM 0 HB2 GLU A 48 10.003 -6.246 5.536 1.00 1.00 H new ATOM 0 HB3 GLU A 48 9.770 -5.335 4.057 1.00 1.00 H new ATOM 0 HG2 GLU A 48 12.006 -6.088 3.221 1.00 1.00 H new ATOM 0 HG3 GLU A 48 12.281 -6.965 4.713 1.00 1.00 H new ATOM 721 N LYS A 49 11.048 -2.857 3.612 1.00 1.00 N ATOM 722 CA LYS A 49 11.464 -1.995 2.501 1.00 1.00 C ATOM 723 C LYS A 49 11.840 -0.612 3.017 1.00 1.00 C ATOM 724 O LYS A 49 11.307 -0.143 4.023 1.00 1.00 O ATOM 725 CB LYS A 49 10.315 -1.889 1.466 1.00 1.00 C ATOM 726 CG LYS A 49 9.541 -3.216 1.367 1.00 1.00 C ATOM 727 CD LYS A 49 10.417 -4.329 0.763 1.00 1.00 C ATOM 728 CE LYS A 49 10.703 -4.071 -0.728 1.00 1.00 C ATOM 729 NZ LYS A 49 11.073 -5.352 -1.380 1.00 1.00 N ATOM 0 H LYS A 49 10.059 -2.779 3.849 1.00 1.00 H new ATOM 0 HA LYS A 49 12.339 -2.432 2.019 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.635 -1.087 1.753 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.723 -1.627 0.490 1.00 1.00 H new ATOM 0 HG2 LYS A 49 9.200 -3.516 2.358 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.652 -3.076 0.753 1.00 1.00 H new ATOM 0 HD2 LYS A 49 11.358 -4.391 1.310 1.00 1.00 H new ATOM 0 HD3 LYS A 49 9.917 -5.291 0.878 1.00 1.00 H new ATOM 0 HE2 LYS A 49 9.824 -3.643 -1.211 1.00 1.00 H new ATOM 0 HE3 LYS A 49 11.511 -3.347 -0.836 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 11.268 -5.185 -2.388 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 11.922 -5.741 -0.923 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 10.289 -6.028 -1.286 1.00 1.00 H new ATOM 743 N GLN A 50 12.775 0.032 2.314 1.00 1.00 N ATOM 744 CA GLN A 50 13.252 1.365 2.688 1.00 1.00 C ATOM 745 C GLN A 50 12.611 2.442 1.820 1.00 1.00 C ATOM 746 O GLN A 50 11.828 2.149 0.917 1.00 1.00 O ATOM 747 CB GLN A 50 14.785 1.428 2.559 1.00 1.00 C ATOM 748 CG GLN A 50 15.238 0.973 1.153 1.00 1.00 C ATOM 749 CD GLN A 50 15.156 -0.547 1.023 1.00 1.00 C ATOM 750 OE1 GLN A 50 14.301 -1.066 0.306 1.00 1.00 O ATOM 751 NE2 GLN A 50 16.004 -1.296 1.678 1.00 1.00 N ATOM 0 H GLN A 50 13.218 -0.351 1.479 1.00 1.00 H new ATOM 0 HA GLN A 50 12.968 1.551 3.724 1.00 1.00 H new ATOM 0 HB2 GLN A 50 15.128 2.446 2.745 1.00 1.00 H new ATOM 0 HB3 GLN A 50 15.244 0.793 3.317 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.611 1.442 0.394 1.00 1.00 H new ATOM 0 HG3 GLN A 50 16.260 1.304 0.971 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.712 -0.865 2.272 1.00 1.00 H new ATOM 0 HE22 GLN A 50 15.957 -2.312 1.595 1.00 1.00 H new ATOM 760 N ALA A 51 12.956 3.695 2.108 1.00 1.00 N ATOM 761 CA ALA A 51 12.418 4.821 1.355 1.00 1.00 C ATOM 762 C ALA A 51 12.915 4.774 -0.086 1.00 1.00 C ATOM 763 O ALA A 51 14.082 4.476 -0.337 1.00 1.00 O ATOM 764 CB ALA A 51 12.855 6.139 2.007 1.00 1.00 C ATOM 0 H ALA A 51 13.602 3.953 2.854 1.00 1.00 H new ATOM 0 HA ALA A 51 11.330 4.759 1.359 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.450 6.977 1.440 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.483 6.180 3.031 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.943 6.198 2.014 1.00 1.00 H new ATOM 770 N GLY A 52 12.021 5.068 -1.036 1.00 1.00 N ATOM 771 CA GLY A 52 12.375 5.060 -2.461 1.00 1.00 C ATOM 772 C GLY A 52 12.153 3.675 -3.067 1.00 1.00 C ATOM 773 O GLY A 52 12.359 3.470 -4.264 1.00 1.00 O ATOM 0 H GLY A 52 11.050 5.314 -0.846 1.00 1.00 H new ATOM 0 HA2 GLY A 52 11.773 5.796 -2.994 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.418 5.352 -2.583 1.00 1.00 H new ATOM 777 N ASP A 53 11.730 2.729 -2.229 1.00 1.00 N ATOM 778 CA ASP A 53 11.484 1.362 -2.687 1.00 1.00 C ATOM 779 C ASP A 53 10.219 1.299 -3.552 1.00 1.00 C ATOM 780 O ASP A 53 9.520 2.297 -3.720 1.00 1.00 O ATOM 781 CB ASP A 53 11.355 0.406 -1.492 1.00 1.00 C ATOM 782 CG ASP A 53 11.227 -1.017 -1.998 1.00 1.00 C ATOM 783 OD1 ASP A 53 12.250 -1.613 -2.294 1.00 1.00 O ATOM 784 OD2 ASP A 53 10.112 -1.488 -2.098 1.00 1.00 O ATOM 0 H ASP A 53 11.552 2.882 -1.236 1.00 1.00 H new ATOM 0 HA ASP A 53 12.335 1.050 -3.293 1.00 1.00 H new ATOM 0 HB2 ASP A 53 12.227 0.496 -0.844 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.484 0.670 -0.893 1.00 1.00 H new ATOM 789 N ARG A 54 9.940 0.109 -4.099 1.00 1.00 N ATOM 790 CA ARG A 54 8.767 -0.117 -4.955 1.00 1.00 C ATOM 791 C ARG A 54 8.145 -1.468 -4.619 1.00 1.00 C ATOM 792 O ARG A 54 8.837 -2.483 -4.553 1.00 1.00 O ATOM 793 CB ARG A 54 9.191 -0.103 -6.439 1.00 1.00 C ATOM 794 CG ARG A 54 10.520 -0.892 -6.628 1.00 1.00 C ATOM 795 CD ARG A 54 11.717 0.064 -6.638 1.00 1.00 C ATOM 796 NE ARG A 54 12.960 -0.692 -6.715 1.00 1.00 N ATOM 797 CZ ARG A 54 13.382 -1.218 -7.860 1.00 1.00 C ATOM 798 NH1 ARG A 54 12.667 -1.081 -8.947 1.00 1.00 N ATOM 799 NH2 ARG A 54 14.508 -1.875 -7.894 1.00 1.00 N ATOM 0 H ARG A 54 10.517 -0.721 -3.962 1.00 1.00 H new ATOM 0 HA ARG A 54 8.039 0.675 -4.781 1.00 1.00 H new ATOM 0 HB2 ARG A 54 8.407 -0.546 -7.053 1.00 1.00 H new ATOM 0 HB3 ARG A 54 9.319 0.925 -6.778 1.00 1.00 H new ATOM 0 HG2 ARG A 54 10.635 -1.619 -5.824 1.00 1.00 H new ATOM 0 HG3 ARG A 54 10.487 -1.452 -7.562 1.00 1.00 H new ATOM 0 HD2 ARG A 54 11.642 0.744 -7.487 1.00 1.00 H new ATOM 0 HD3 ARG A 54 11.710 0.677 -5.737 1.00 1.00 H new ATOM 0 HE ARG A 54 13.519 -0.820 -5.871 1.00 1.00 H new ATOM 0 HH11 ARG A 54 11.785 -0.570 -8.916 1.00 1.00 H new ATOM 0 HH12 ARG A 54 12.992 -1.485 -9.825 1.00 1.00 H new ATOM 0 HH21 ARG A 54 15.061 -1.984 -7.044 1.00 1.00 H new ATOM 0 HH22 ARG A 54 14.836 -2.280 -8.771 1.00 1.00 H new ATOM 813 N VAL A 55 6.831 -1.465 -4.399 1.00 1.00 N ATOM 814 CA VAL A 55 6.106 -2.693 -4.062 1.00 1.00 C ATOM 815 C VAL A 55 4.792 -2.797 -4.840 1.00 1.00 C ATOM 816 O VAL A 55 3.987 -1.866 -4.888 1.00 1.00 O ATOM 817 CB VAL A 55 5.834 -2.737 -2.550 1.00 1.00 C ATOM 818 CG1 VAL A 55 7.128 -3.068 -1.797 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.323 -1.370 -2.089 1.00 1.00 C ATOM 0 H VAL A 55 6.247 -0.630 -4.447 1.00 1.00 H new ATOM 0 HA VAL A 55 6.726 -3.544 -4.344 1.00 1.00 H new ATOM 0 HB VAL A 55 5.088 -3.504 -2.342 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.928 -3.098 -0.726 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.501 -4.039 -2.124 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.876 -2.303 -2.006 1.00 1.00 H new ATOM 0 HG21 VAL A 55 5.129 -1.397 -1.017 1.00 1.00 H new ATOM 0 HG22 VAL A 55 6.074 -0.610 -2.303 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.401 -1.128 -2.619 1.00 1.00 H new ATOM 829 N ARG A 56 4.603 -3.965 -5.437 1.00 1.00 N ATOM 830 CA ARG A 56 3.404 -4.263 -6.216 1.00 1.00 C ATOM 831 C ARG A 56 2.284 -4.648 -5.269 1.00 1.00 C ATOM 832 O ARG A 56 2.301 -5.725 -4.674 1.00 1.00 O ATOM 833 CB ARG A 56 3.689 -5.423 -7.180 1.00 1.00 C ATOM 834 CG ARG A 56 4.820 -5.055 -8.167 1.00 1.00 C ATOM 835 CD ARG A 56 4.291 -4.156 -9.296 1.00 1.00 C ATOM 836 NE ARG A 56 5.384 -3.775 -10.186 1.00 1.00 N ATOM 837 CZ ARG A 56 6.131 -2.694 -9.958 1.00 1.00 C ATOM 838 NH1 ARG A 56 5.922 -1.960 -8.893 1.00 1.00 N ATOM 839 NH2 ARG A 56 7.074 -2.372 -10.799 1.00 1.00 N ATOM 0 H ARG A 56 5.273 -4.733 -5.397 1.00 1.00 H new ATOM 0 HA ARG A 56 3.112 -3.386 -6.793 1.00 1.00 H new ATOM 0 HB2 ARG A 56 3.970 -6.311 -6.614 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.784 -5.671 -7.734 1.00 1.00 H new ATOM 0 HG2 ARG A 56 5.621 -4.543 -7.634 1.00 1.00 H new ATOM 0 HG3 ARG A 56 5.249 -5.963 -8.590 1.00 1.00 H new ATOM 0 HD2 ARG A 56 3.519 -4.681 -9.859 1.00 1.00 H new ATOM 0 HD3 ARG A 56 3.827 -3.264 -8.875 1.00 1.00 H new ATOM 0 HE ARG A 56 5.582 -4.351 -11.004 1.00 1.00 H new ATOM 0 HH11 ARG A 56 5.186 -2.215 -8.235 1.00 1.00 H new ATOM 0 HH12 ARG A 56 6.496 -1.134 -8.722 1.00 1.00 H new ATOM 0 HH21 ARG A 56 7.237 -2.946 -11.626 1.00 1.00 H new ATOM 0 HH22 ARG A 56 7.648 -1.546 -10.630 1.00 1.00 H new ATOM 853 N VAL A 57 1.327 -3.735 -5.103 1.00 1.00 N ATOM 854 CA VAL A 57 0.203 -3.950 -4.187 1.00 1.00 C ATOM 855 C VAL A 57 -1.013 -4.458 -4.943 1.00 1.00 C ATOM 856 O VAL A 57 -1.264 -4.038 -6.054 1.00 1.00 O ATOM 857 CB VAL A 57 -0.140 -2.623 -3.474 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.467 -2.758 -2.690 1.00 1.00 C ATOM 859 CG2 VAL A 57 1.003 -2.259 -2.511 1.00 1.00 C ATOM 0 H VAL A 57 1.306 -2.839 -5.590 1.00 1.00 H new ATOM 0 HA VAL A 57 0.488 -4.700 -3.449 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.259 -1.836 -4.219 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.694 -1.814 -2.194 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.273 -3.008 -3.380 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.370 -3.546 -1.944 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.768 -1.323 -2.004 1.00 1.00 H new ATOM 0 HG22 VAL A 57 1.123 -3.052 -1.772 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.930 -2.144 -3.073 1.00 1.00 H new ATOM 869 N THR A 58 -1.768 -5.357 -4.306 1.00 1.00 N ATOM 870 CA THR A 58 -2.986 -5.925 -4.904 1.00 1.00 C ATOM 871 C THR A 58 -4.213 -5.393 -4.173 1.00 1.00 C ATOM 872 O THR A 58 -4.217 -5.305 -2.947 1.00 1.00 O ATOM 873 CB THR A 58 -2.950 -7.453 -4.788 1.00 1.00 C ATOM 874 OG1 THR A 58 -1.760 -7.940 -5.392 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.165 -8.059 -5.495 1.00 1.00 C ATOM 0 H THR A 58 -1.559 -5.710 -3.372 1.00 1.00 H new ATOM 0 HA THR A 58 -3.037 -5.639 -5.955 1.00 1.00 H new ATOM 0 HB THR A 58 -2.972 -7.735 -3.735 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.732 -8.917 -5.319 1.00 1.00 H new ATOM 0 HG21 THR A 58 -4.132 -9.145 -5.408 1.00 1.00 H new ATOM 0 HG22 THR A 58 -5.079 -7.685 -5.033 1.00 1.00 H new ATOM 0 HG23 THR A 58 -4.150 -7.779 -6.548 1.00 1.00 H new ATOM 883 N PHE A 59 -5.270 -5.058 -4.924 1.00 1.00 N ATOM 884 CA PHE A 59 -6.510 -4.555 -4.312 1.00 1.00 C ATOM 885 C PHE A 59 -7.711 -4.941 -5.183 1.00 1.00 C ATOM 886 O PHE A 59 -7.570 -5.096 -6.394 1.00 1.00 O ATOM 887 CB PHE A 59 -6.449 -3.029 -4.157 1.00 1.00 C ATOM 888 CG PHE A 59 -6.583 -2.348 -5.513 1.00 1.00 C ATOM 889 CD1 PHE A 59 -7.857 -2.012 -6.004 1.00 1.00 C ATOM 890 CD2 PHE A 59 -5.444 -2.046 -6.272 1.00 1.00 C ATOM 891 CE1 PHE A 59 -7.985 -1.379 -7.241 1.00 1.00 C ATOM 892 CE2 PHE A 59 -5.580 -1.415 -7.513 1.00 1.00 C ATOM 893 CZ PHE A 59 -6.850 -1.080 -7.996 1.00 1.00 C ATOM 0 H PHE A 59 -5.294 -5.124 -5.942 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.621 -5.003 -3.324 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.247 -2.693 -3.495 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.506 -2.742 -3.691 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -8.737 -2.244 -5.423 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -4.463 -2.300 -5.899 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -8.965 -1.120 -7.615 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -4.703 -1.186 -8.100 1.00 1.00 H new ATOM 0 HZ PHE A 59 -6.952 -0.590 -8.953 1.00 1.00 H new ATOM 903 N ILE A 60 -8.886 -5.117 -4.554 1.00 1.00 N ATOM 904 CA ILE A 60 -10.112 -5.512 -5.272 1.00 1.00 C ATOM 905 C ILE A 60 -11.094 -4.351 -5.365 1.00 1.00 C ATOM 906 O ILE A 60 -11.378 -3.665 -4.384 1.00 1.00 O ATOM 907 CB ILE A 60 -10.775 -6.733 -4.550 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.182 -8.054 -5.097 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.311 -6.757 -4.759 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.646 -8.056 -4.987 1.00 1.00 C ATOM 0 H ILE A 60 -9.013 -4.992 -3.550 1.00 1.00 H new ATOM 0 HA ILE A 60 -9.841 -5.799 -6.288 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.568 -6.633 -3.484 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.591 -8.898 -4.542 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.476 -8.185 -6.138 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.735 -7.619 -4.243 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.747 -5.843 -4.357 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.532 -6.827 -5.824 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.254 -8.995 -5.378 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.239 -7.225 -5.563 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.356 -7.949 -3.942 1.00 1.00 H new ATOM 922 N ARG A 61 -11.627 -4.178 -6.572 1.00 1.00 N ATOM 923 CA ARG A 61 -12.609 -3.141 -6.850 1.00 1.00 C ATOM 924 C ARG A 61 -13.721 -3.702 -7.747 1.00 1.00 C ATOM 925 O ARG A 61 -13.470 -4.168 -8.848 1.00 1.00 O ATOM 926 CB ARG A 61 -11.911 -1.950 -7.503 1.00 1.00 C ATOM 927 CG ARG A 61 -12.943 -0.866 -7.826 1.00 1.00 C ATOM 928 CD ARG A 61 -12.236 0.400 -8.299 1.00 1.00 C ATOM 929 NE ARG A 61 -13.219 1.464 -8.486 1.00 1.00 N ATOM 930 CZ ARG A 61 -13.653 2.201 -7.463 1.00 1.00 C ATOM 931 NH1 ARG A 61 -13.166 2.006 -6.265 1.00 1.00 N ATOM 932 NH2 ARG A 61 -14.566 3.111 -7.660 1.00 1.00 N ATOM 0 H ARG A 61 -11.389 -4.752 -7.381 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.070 -2.804 -5.922 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.147 -1.552 -6.835 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.404 -2.267 -8.414 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.627 -1.221 -8.597 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -13.544 -0.649 -6.943 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -11.487 0.706 -7.568 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -11.709 0.208 -9.234 1.00 1.00 H new ATOM 0 HE ARG A 61 -13.582 1.648 -9.421 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -12.455 1.291 -6.114 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -13.497 2.569 -5.482 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -14.946 3.258 -8.595 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -14.900 3.676 -6.879 1.00 1.00 H new ATOM 946 N ASP A 62 -14.955 -3.628 -7.257 1.00 1.00 N ATOM 947 CA ASP A 62 -16.113 -4.108 -8.011 1.00 1.00 C ATOM 948 C ASP A 62 -15.864 -5.517 -8.553 1.00 1.00 C ATOM 949 O ASP A 62 -16.197 -5.808 -9.701 1.00 1.00 O ATOM 950 CB ASP A 62 -16.412 -3.165 -9.185 1.00 1.00 C ATOM 951 CG ASP A 62 -16.873 -1.802 -8.673 1.00 1.00 C ATOM 952 OD1 ASP A 62 -16.741 -1.561 -7.484 1.00 1.00 O ATOM 953 OD2 ASP A 62 -17.351 -1.019 -9.478 1.00 1.00 O ATOM 0 H ASP A 62 -15.181 -3.240 -6.341 1.00 1.00 H new ATOM 0 HA ASP A 62 -16.966 -4.132 -7.333 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.520 -3.046 -9.800 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.182 -3.600 -9.822 1.00 1.00 H new ATOM 958 N ARG A 63 -15.292 -6.388 -7.725 1.00 1.00 N ATOM 959 CA ARG A 63 -15.014 -7.765 -8.124 1.00 1.00 C ATOM 960 C ARG A 63 -13.860 -7.832 -9.130 1.00 1.00 C ATOM 961 O ARG A 63 -13.529 -8.907 -9.624 1.00 1.00 O ATOM 962 CB ARG A 63 -16.280 -8.429 -8.707 1.00 1.00 C ATOM 963 CG ARG A 63 -16.221 -9.958 -8.512 1.00 1.00 C ATOM 964 CD ARG A 63 -17.366 -10.613 -9.282 1.00 1.00 C ATOM 965 NE ARG A 63 -18.643 -10.139 -8.766 1.00 1.00 N ATOM 966 CZ ARG A 63 -19.779 -10.369 -9.419 1.00 1.00 C ATOM 967 NH1 ARG A 63 -19.766 -11.033 -10.545 1.00 1.00 N ATOM 968 NH2 ARG A 63 -20.905 -9.923 -8.933 1.00 1.00 N ATOM 0 H ARG A 63 -15.011 -6.163 -6.770 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.712 -8.315 -7.232 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -17.168 -8.027 -8.218 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -16.366 -8.194 -9.768 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -15.264 -10.344 -8.864 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -16.293 -10.203 -7.452 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.283 -10.379 -10.343 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.306 -11.697 -9.189 1.00 1.00 H new ATOM 0 HE ARG A 63 -18.667 -9.621 -7.888 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -18.884 -11.376 -10.925 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -20.638 -11.208 -11.044 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -20.911 -9.401 -8.057 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -21.779 -10.096 -9.429 1.00 1.00 H new ATOM 982 N LYS A 64 -13.253 -6.681 -9.437 1.00 1.00 N ATOM 983 CA LYS A 64 -12.143 -6.626 -10.395 1.00 1.00 C ATOM 984 C LYS A 64 -10.828 -6.352 -9.687 1.00 1.00 C ATOM 985 O LYS A 64 -10.576 -5.234 -9.240 1.00 1.00 O ATOM 986 CB LYS A 64 -12.400 -5.494 -11.397 1.00 1.00 C ATOM 987 CG LYS A 64 -13.719 -5.729 -12.181 1.00 1.00 C ATOM 988 CD LYS A 64 -14.286 -4.390 -12.699 1.00 1.00 C ATOM 989 CE LYS A 64 -13.216 -3.617 -13.477 1.00 1.00 C ATOM 990 NZ LYS A 64 -13.862 -2.505 -14.233 1.00 1.00 N ATOM 0 H LYS A 64 -13.510 -5.778 -9.038 1.00 1.00 H new ATOM 0 HA LYS A 64 -12.080 -7.588 -10.904 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.452 -4.542 -10.869 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.566 -5.426 -12.095 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -13.536 -6.402 -13.019 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.451 -6.215 -11.536 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -15.146 -4.577 -13.341 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.639 -3.789 -11.861 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -12.468 -3.219 -12.791 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -12.696 -4.285 -14.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -13.138 -1.978 -14.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -14.560 -2.896 -14.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -14.339 -1.864 -13.567 1.00 1.00 H new ATOM 1004 N GLN A 65 -9.999 -7.386 -9.561 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.709 -7.260 -8.895 1.00 1.00 C ATOM 1006 C GLN A 65 -7.684 -6.604 -9.810 1.00 1.00 C ATOM 1007 O GLN A 65 -7.615 -6.901 -11.001 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.218 -8.648 -8.465 1.00 1.00 C ATOM 1009 CG GLN A 65 -8.070 -9.558 -9.690 1.00 1.00 C ATOM 1010 CD GLN A 65 -7.708 -10.970 -9.247 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -6.547 -11.244 -8.942 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -8.634 -11.887 -9.193 1.00 1.00 N ATOM 0 H GLN A 65 -10.200 -8.322 -9.913 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.831 -6.627 -8.016 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.261 -8.560 -7.950 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -8.921 -9.088 -7.758 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -9.001 -9.573 -10.257 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -7.299 -9.167 -10.353 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -9.595 -11.657 -9.446 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -8.397 -12.834 -8.897 1.00 1.00 H new ATOM 1021 N HIS A 66 -6.885 -5.708 -9.232 1.00 1.00 N ATOM 1022 CA HIS A 66 -5.841 -4.999 -9.980 1.00 1.00 C ATOM 1023 C HIS A 66 -4.645 -4.679 -9.082 1.00 1.00 C ATOM 1024 O HIS A 66 -4.796 -4.399 -7.892 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.390 -3.689 -10.552 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.473 -3.982 -11.550 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.200 -4.354 -12.857 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -8.835 -3.948 -11.446 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.379 -4.526 -13.484 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.409 -4.289 -12.667 1.00 1.00 N ATOM 0 H HIS A 66 -6.939 -5.454 -8.246 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.518 -5.651 -10.791 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -6.783 -3.067 -9.748 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.588 -3.125 -11.028 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.275 -4.475 -13.269 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.384 -3.695 -10.551 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.480 -4.819 -14.519 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.455 -4.728 -9.681 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.201 -4.446 -8.982 1.00 1.00 C ATOM 1041 C GLU A 67 -1.866 -2.963 -9.073 1.00 1.00 C ATOM 1042 O GLU A 67 -1.945 -2.363 -10.145 1.00 1.00 O ATOM 1043 CB GLU A 67 -1.055 -5.258 -9.607 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.245 -6.746 -9.308 1.00 1.00 C ATOM 1045 CD GLU A 67 -0.166 -7.567 -10.014 1.00 1.00 C ATOM 1046 OE1 GLU A 67 0.660 -6.976 -10.692 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -0.182 -8.778 -9.865 1.00 1.00 O ATOM 0 H GLU A 67 -3.333 -4.965 -10.666 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.321 -4.726 -7.935 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.029 -5.096 -10.685 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.099 -4.918 -9.210 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.198 -6.917 -8.233 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.232 -7.068 -9.639 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.505 -2.380 -7.926 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.164 -0.956 -7.834 1.00 1.00 C ATOM 1056 C ALA A 68 0.334 -0.770 -7.574 1.00 1.00 C ATOM 1057 O ALA A 68 0.875 -1.241 -6.574 1.00 1.00 O ATOM 1058 CB ALA A 68 -1.967 -0.304 -6.684 1.00 1.00 C ATOM 0 H ALA A 68 -1.441 -2.879 -7.038 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.416 -0.480 -8.781 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -1.713 0.754 -6.617 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.034 -0.409 -6.880 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -1.721 -0.797 -5.743 1.00 1.00 H new ATOM 1064 N GLU A 69 0.979 -0.057 -8.491 1.00 1.00 N ATOM 1065 CA GLU A 69 2.408 0.229 -8.375 1.00 1.00 C ATOM 1066 C GLU A 69 2.619 1.354 -7.368 1.00 1.00 C ATOM 1067 O GLU A 69 2.389 2.524 -7.673 1.00 1.00 O ATOM 1068 CB GLU A 69 2.984 0.651 -9.732 1.00 1.00 C ATOM 1069 CG GLU A 69 2.939 -0.532 -10.699 1.00 1.00 C ATOM 1070 CD GLU A 69 3.505 -0.128 -12.061 1.00 1.00 C ATOM 1071 OE1 GLU A 69 3.918 1.013 -12.200 1.00 1.00 O ATOM 1072 OE2 GLU A 69 3.520 -0.970 -12.944 1.00 1.00 O ATOM 0 H GLU A 69 0.537 0.334 -9.323 1.00 1.00 H new ATOM 0 HA GLU A 69 2.919 -0.673 -8.040 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.413 1.486 -10.137 1.00 1.00 H new ATOM 0 HB3 GLU A 69 4.011 0.996 -9.611 1.00 1.00 H new ATOM 0 HG2 GLU A 69 3.513 -1.365 -10.292 1.00 1.00 H new ATOM 0 HG3 GLU A 69 1.912 -0.878 -10.813 1.00 1.00 H new ATOM 1079 N LEU A 70 3.040 0.974 -6.160 1.00 1.00 N ATOM 1080 CA LEU A 70 3.265 1.932 -5.068 1.00 1.00 C ATOM 1081 C LEU A 70 4.730 1.990 -4.657 1.00 1.00 C ATOM 1082 O LEU A 70 5.457 1.004 -4.759 1.00 1.00 O ATOM 1083 CB LEU A 70 2.407 1.538 -3.861 1.00 1.00 C ATOM 1084 CG LEU A 70 2.563 2.582 -2.696 1.00 1.00 C ATOM 1085 CD1 LEU A 70 1.193 2.871 -2.058 1.00 1.00 C ATOM 1086 CD2 LEU A 70 3.522 2.040 -1.612 1.00 1.00 C ATOM 0 H LEU A 70 3.234 0.004 -5.909 1.00 1.00 H new ATOM 0 HA LEU A 70 2.982 2.922 -5.426 1.00 1.00 H new ATOM 0 HB2 LEU A 70 1.361 1.474 -4.159 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.700 0.549 -3.509 1.00 1.00 H new ATOM 0 HG LEU A 70 2.973 3.502 -3.113 1.00 1.00 H new ATOM 0 HD11 LEU A 70 1.312 3.595 -1.252 1.00 1.00 H new ATOM 0 HD12 LEU A 70 0.518 3.276 -2.813 1.00 1.00 H new ATOM 0 HD13 LEU A 70 0.776 1.947 -1.657 1.00 1.00 H new ATOM 0 HD21 LEU A 70 3.620 2.774 -0.812 1.00 1.00 H new ATOM 0 HD22 LEU A 70 3.123 1.111 -1.205 1.00 1.00 H new ATOM 0 HD23 LEU A 70 4.501 1.852 -2.053 1.00 1.00 H new ATOM 1098 N VAL A 71 5.147 3.177 -4.187 1.00 1.00 N ATOM 1099 CA VAL A 71 6.532 3.412 -3.740 1.00 1.00 C ATOM 1100 C VAL A 71 6.554 4.025 -2.337 1.00 1.00 C ATOM 1101 O VAL A 71 5.771 4.922 -2.020 1.00 1.00 O ATOM 1102 CB VAL A 71 7.266 4.330 -4.729 1.00 1.00 C ATOM 1103 CG1 VAL A 71 7.445 3.603 -6.066 1.00 1.00 C ATOM 1104 CG2 VAL A 71 6.458 5.606 -4.954 1.00 1.00 C ATOM 0 H VAL A 71 4.542 3.994 -4.106 1.00 1.00 H new ATOM 0 HA VAL A 71 7.045 2.451 -3.705 1.00 1.00 H new ATOM 0 HB VAL A 71 8.241 4.589 -4.317 1.00 1.00 H new ATOM 0 HG11 VAL A 71 7.966 4.255 -6.768 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.029 2.696 -5.911 1.00 1.00 H new ATOM 0 HG13 VAL A 71 6.468 3.341 -6.471 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.985 6.251 -5.656 1.00 1.00 H new ATOM 0 HG22 VAL A 71 5.480 5.350 -5.361 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.332 6.129 -4.006 1.00 1.00 H new ATOM 1114 N LEU A 72 7.441 3.501 -1.496 1.00 1.00 N ATOM 1115 CA LEU A 72 7.550 3.959 -0.118 1.00 1.00 C ATOM 1116 C LEU A 72 7.928 5.431 -0.076 1.00 1.00 C ATOM 1117 O LEU A 72 8.859 5.868 -0.754 1.00 1.00 O ATOM 1118 CB LEU A 72 8.617 3.118 0.607 1.00 1.00 C ATOM 1119 CG LEU A 72 8.046 1.735 1.008 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.935 1.872 2.098 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.475 1.016 -0.239 1.00 1.00 C ATOM 0 H LEU A 72 8.094 2.759 -1.746 1.00 1.00 H new ATOM 0 HA LEU A 72 6.587 3.840 0.379 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.484 2.985 -0.040 1.00 1.00 H new ATOM 0 HB3 LEU A 72 8.961 3.646 1.496 1.00 1.00 H new ATOM 0 HG LEU A 72 8.860 1.144 1.428 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.555 0.884 2.357 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.354 2.344 2.987 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.120 2.484 1.712 1.00 1.00 H new ATOM 0 HD21 LEU A 72 7.076 0.044 0.052 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.679 1.620 -0.674 1.00 1.00 H new ATOM 0 HD23 LEU A 72 8.268 0.877 -0.974 1.00 1.00 H new ATOM 1133 N LYS A 73 7.180 6.199 0.721 1.00 1.00 N ATOM 1134 CA LYS A 73 7.417 7.638 0.851 1.00 1.00 C ATOM 1135 C LYS A 73 7.161 8.099 2.304 1.00 1.00 C ATOM 1136 O LYS A 73 6.027 8.420 2.659 1.00 1.00 O ATOM 1137 CB LYS A 73 6.483 8.389 -0.106 1.00 1.00 C ATOM 1138 CG LYS A 73 6.933 8.150 -1.557 1.00 1.00 C ATOM 1139 CD LYS A 73 6.028 8.925 -2.520 1.00 1.00 C ATOM 1140 CE LYS A 73 6.212 10.450 -2.352 1.00 1.00 C ATOM 1141 NZ LYS A 73 5.793 11.128 -3.603 1.00 1.00 N ATOM 0 H LYS A 73 6.406 5.848 1.285 1.00 1.00 H new ATOM 0 HA LYS A 73 8.455 7.854 0.599 1.00 1.00 H new ATOM 0 HB2 LYS A 73 5.457 8.047 0.028 1.00 1.00 H new ATOM 0 HB3 LYS A 73 6.496 9.455 0.119 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.968 8.468 -1.683 1.00 1.00 H new ATOM 0 HG3 LYS A 73 6.896 7.085 -1.787 1.00 1.00 H new ATOM 0 HD2 LYS A 73 6.256 8.639 -3.547 1.00 1.00 H new ATOM 0 HD3 LYS A 73 4.987 8.659 -2.338 1.00 1.00 H new ATOM 0 HE2 LYS A 73 5.619 10.810 -1.512 1.00 1.00 H new ATOM 0 HE3 LYS A 73 7.254 10.681 -2.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 5.914 12.156 -3.498 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 6.378 10.790 -4.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 4.793 10.915 -3.795 1.00 1.00 H new ATOM 1155 N PRO A 74 8.187 8.135 3.144 1.00 1.00 N ATOM 1156 CA PRO A 74 8.050 8.567 4.570 1.00 1.00 C ATOM 1157 C PRO A 74 7.235 9.846 4.714 1.00 1.00 C ATOM 1158 O PRO A 74 6.813 10.440 3.723 1.00 1.00 O ATOM 1159 CB PRO A 74 9.508 8.758 5.033 1.00 1.00 C ATOM 1160 CG PRO A 74 10.296 7.802 4.189 1.00 1.00 C ATOM 1161 CD PRO A 74 9.579 7.767 2.833 1.00 1.00 C ATOM 0 HA PRO A 74 7.508 7.838 5.173 1.00 1.00 H new ATOM 0 HB2 PRO A 74 9.840 9.785 4.885 1.00 1.00 H new ATOM 0 HB3 PRO A 74 9.620 8.536 6.094 1.00 1.00 H new ATOM 0 HG2 PRO A 74 11.328 8.134 4.079 1.00 1.00 H new ATOM 0 HG3 PRO A 74 10.327 6.811 4.643 1.00 1.00 H new ATOM 0 HD2 PRO A 74 10.027 8.468 2.129 1.00 1.00 H new ATOM 0 HD3 PRO A 74 9.636 6.778 2.379 1.00 1.00 H new ATOM 1169 N PHE A 75 7.027 10.262 5.968 1.00 1.00 N ATOM 1170 CA PHE A 75 6.256 11.482 6.269 1.00 1.00 C ATOM 1171 C PHE A 75 7.177 12.596 6.800 1.00 1.00 C ATOM 1172 O PHE A 75 8.175 12.310 7.461 1.00 1.00 O ATOM 1173 CB PHE A 75 5.197 11.165 7.330 1.00 1.00 C ATOM 1174 CG PHE A 75 4.311 10.048 6.826 1.00 1.00 C ATOM 1175 CD1 PHE A 75 3.304 10.320 5.889 1.00 1.00 C ATOM 1176 CD2 PHE A 75 4.493 8.740 7.295 1.00 1.00 C ATOM 1177 CE1 PHE A 75 2.483 9.288 5.422 1.00 1.00 C ATOM 1178 CE2 PHE A 75 3.672 7.711 6.829 1.00 1.00 C ATOM 1179 CZ PHE A 75 2.666 7.983 5.893 1.00 1.00 C ATOM 0 H PHE A 75 7.379 9.776 6.792 1.00 1.00 H new ATOM 0 HA PHE A 75 5.782 11.825 5.350 1.00 1.00 H new ATOM 0 HB2 PHE A 75 5.676 10.872 8.264 1.00 1.00 H new ATOM 0 HB3 PHE A 75 4.600 12.052 7.542 1.00 1.00 H new ATOM 0 HD1 PHE A 75 3.162 11.328 5.527 1.00 1.00 H new ATOM 0 HD2 PHE A 75 5.268 8.528 8.017 1.00 1.00 H new ATOM 0 HE1 PHE A 75 1.709 9.498 4.699 1.00 1.00 H new ATOM 0 HE2 PHE A 75 3.813 6.703 7.191 1.00 1.00 H new ATOM 0 HZ PHE A 75 2.032 7.186 5.535 1.00 1.00 H new ATOM 1189 N PRO A 76 6.863 13.857 6.531 1.00 1.00 N ATOM 1190 CA PRO A 76 7.700 15.007 7.010 1.00 1.00 C ATOM 1191 C PRO A 76 7.737 15.087 8.540 1.00 1.00 C ATOM 1192 O PRO A 76 8.727 15.527 9.124 1.00 1.00 O ATOM 1193 CB PRO A 76 7.023 16.251 6.377 1.00 1.00 C ATOM 1194 CG PRO A 76 5.617 15.818 6.062 1.00 1.00 C ATOM 1195 CD PRO A 76 5.699 14.324 5.749 1.00 1.00 C ATOM 0 HA PRO A 76 8.746 14.912 6.718 1.00 1.00 H new ATOM 0 HB2 PRO A 76 7.030 17.096 7.066 1.00 1.00 H new ATOM 0 HB3 PRO A 76 7.548 16.569 5.476 1.00 1.00 H new ATOM 0 HG2 PRO A 76 4.953 16.004 6.906 1.00 1.00 H new ATOM 0 HG3 PRO A 76 5.218 16.374 5.213 1.00 1.00 H new ATOM 0 HD2 PRO A 76 4.787 13.804 6.042 1.00 1.00 H new ATOM 0 HD3 PRO A 76 5.838 14.147 4.682 1.00 1.00 H new ATOM 1203 N HIS A 77 6.654 14.656 9.179 1.00 1.00 N ATOM 1204 CA HIS A 77 6.575 14.678 10.637 1.00 1.00 C ATOM 1205 C HIS A 77 7.443 13.569 11.223 1.00 1.00 C ATOM 1206 O HIS A 77 8.023 13.720 12.298 1.00 1.00 O ATOM 1207 CB HIS A 77 5.127 14.493 11.084 1.00 1.00 C ATOM 1208 CG HIS A 77 4.283 15.605 10.522 1.00 1.00 C ATOM 1209 ND1 HIS A 77 4.638 16.288 9.369 1.00 1.00 N ATOM 1210 CD2 HIS A 77 3.099 16.163 10.939 1.00 1.00 C ATOM 1211 CE1 HIS A 77 3.684 17.209 9.133 1.00 1.00 C ATOM 1212 NE2 HIS A 77 2.723 17.175 10.060 1.00 1.00 N ATOM 0 H HIS A 77 5.823 14.289 8.714 1.00 1.00 H new ATOM 0 HA HIS A 77 6.938 15.641 10.996 1.00 1.00 H new ATOM 0 HB2 HIS A 77 4.750 13.528 10.744 1.00 1.00 H new ATOM 0 HB3 HIS A 77 5.068 14.492 12.172 1.00 1.00 H new ATOM 0 HD2 HIS A 77 2.544 15.862 11.815 1.00 1.00 H new ATOM 0 HE1 HIS A 77 3.695 17.892 8.296 1.00 1.00 H new ATOM 0 HE2 HIS A 77 1.892 17.764 10.113 1.00 1.00 H new ATOM 1221 N HIS A 78 7.521 12.450 10.498 1.00 1.00 N ATOM 1222 CA HIS A 78 8.316 11.289 10.923 1.00 1.00 C ATOM 1223 C HIS A 78 9.174 10.787 9.753 1.00 1.00 C ATOM 1224 O HIS A 78 8.882 9.738 9.176 1.00 1.00 O ATOM 1225 CB HIS A 78 7.380 10.179 11.397 1.00 1.00 C ATOM 1226 CG HIS A 78 6.465 10.742 12.455 1.00 1.00 C ATOM 1227 ND1 HIS A 78 6.895 10.987 13.752 1.00 1.00 N ATOM 1228 CD2 HIS A 78 5.145 11.117 12.423 1.00 1.00 C ATOM 1229 CE1 HIS A 78 5.848 11.485 14.439 1.00 1.00 C ATOM 1230 NE2 HIS A 78 4.758 11.583 13.675 1.00 1.00 N ATOM 0 H HIS A 78 7.041 12.321 9.608 1.00 1.00 H new ATOM 0 HA HIS A 78 8.974 11.581 11.742 1.00 1.00 H new ATOM 0 HB2 HIS A 78 6.798 9.792 10.561 1.00 1.00 H new ATOM 0 HB3 HIS A 78 7.955 9.345 11.799 1.00 1.00 H new ATOM 0 HD2 HIS A 78 4.503 11.059 11.556 1.00 1.00 H new ATOM 0 HE1 HIS A 78 5.886 11.770 15.480 1.00 1.00 H new ATOM 0 HE2 HIS A 78 3.838 11.926 13.950 1.00 1.00 H new ATOM 1239 N PRO A 79 10.214 11.519 9.382 1.00 1.00 N ATOM 1240 CA PRO A 79 11.106 11.122 8.245 1.00 1.00 C ATOM 1241 C PRO A 79 11.790 9.782 8.500 1.00 1.00 C ATOM 1242 O PRO A 79 12.240 9.121 7.566 1.00 1.00 O ATOM 1243 CB PRO A 79 12.131 12.284 8.135 1.00 1.00 C ATOM 1244 CG PRO A 79 12.084 12.975 9.469 1.00 1.00 C ATOM 1245 CD PRO A 79 10.653 12.794 9.989 1.00 1.00 C ATOM 0 HA PRO A 79 10.550 10.976 7.319 1.00 1.00 H new ATOM 0 HB2 PRO A 79 13.131 11.908 7.921 1.00 1.00 H new ATOM 0 HB3 PRO A 79 11.867 12.967 7.328 1.00 1.00 H new ATOM 0 HG2 PRO A 79 12.808 12.541 10.159 1.00 1.00 H new ATOM 0 HG3 PRO A 79 12.332 14.032 9.370 1.00 1.00 H new ATOM 0 HD2 PRO A 79 10.626 12.749 11.078 1.00 1.00 H new ATOM 0 HD3 PRO A 79 10.011 13.622 9.689 1.00 1.00 H new ATOM 1253 N ASN A 80 11.866 9.382 9.767 1.00 1.00 N ATOM 1254 CA ASN A 80 12.500 8.117 10.137 1.00 1.00 C ATOM 1255 C ASN A 80 11.451 7.014 10.220 1.00 1.00 C ATOM 1256 O ASN A 80 11.698 5.963 10.808 1.00 1.00 O ATOM 1257 CB ASN A 80 13.175 8.275 11.503 1.00 1.00 C ATOM 1258 CG ASN A 80 14.358 9.230 11.398 1.00 1.00 C ATOM 1259 OD1 ASN A 80 15.153 9.156 10.365 1.00 1.00 O flip ATOM 1260 ND2 ASN A 80 14.566 10.062 12.281 1.00 1.00 N flip ATOM 0 H ASN A 80 11.497 9.914 10.555 1.00 1.00 H new ATOM 0 HA ASN A 80 13.241 7.851 9.383 1.00 1.00 H new ATOM 0 HB2 ASN A 80 12.457 8.653 12.230 1.00 1.00 H new ATOM 0 HB3 ASN A 80 13.513 7.304 11.864 1.00 1.00 H new ATOM 0 HD21 ASN A 80 13.943 10.117 13.087 1.00 1.00 H new ATOM 0 HD22 ASN A 80 15.361 10.696 12.207 1.00 1.00 H new ATOM 1267 N GLN A 81 10.276 7.262 9.626 1.00 1.00 N ATOM 1268 CA GLN A 81 9.182 6.279 9.635 1.00 1.00 C ATOM 1269 C GLN A 81 8.548 6.187 8.249 1.00 1.00 C ATOM 1270 O GLN A 81 8.116 7.191 7.681 1.00 1.00 O ATOM 1271 CB GLN A 81 8.118 6.681 10.667 1.00 1.00 C ATOM 1272 CG GLN A 81 7.146 5.512 10.911 1.00 1.00 C ATOM 1273 CD GLN A 81 7.847 4.403 11.696 1.00 1.00 C ATOM 1274 OE1 GLN A 81 7.884 3.255 11.255 1.00 1.00 O ATOM 1275 NE2 GLN A 81 8.413 4.687 12.838 1.00 1.00 N ATOM 0 H GLN A 81 10.058 8.129 9.136 1.00 1.00 H new ATOM 0 HA GLN A 81 9.590 5.305 9.906 1.00 1.00 H new ATOM 0 HB2 GLN A 81 8.598 6.966 11.603 1.00 1.00 H new ATOM 0 HB3 GLN A 81 7.568 7.553 10.313 1.00 1.00 H new ATOM 0 HG2 GLN A 81 6.273 5.863 11.462 1.00 1.00 H new ATOM 0 HG3 GLN A 81 6.786 5.123 9.959 1.00 1.00 H new ATOM 0 HE21 GLN A 81 8.380 5.640 13.200 1.00 1.00 H new ATOM 0 HE22 GLN A 81 8.888 3.956 13.368 1.00 1.00 H new ATOM 1284 N ILE A 82 8.514 4.970 7.717 1.00 1.00 N ATOM 1285 CA ILE A 82 7.955 4.708 6.384 1.00 1.00 C ATOM 1286 C ILE A 82 6.439 4.518 6.480 1.00 1.00 C ATOM 1287 O ILE A 82 5.848 4.667 7.549 1.00 1.00 O ATOM 1288 CB ILE A 82 8.640 3.446 5.736 1.00 1.00 C ATOM 1289 CG1 ILE A 82 9.788 2.923 6.639 1.00 1.00 C ATOM 1290 CG2 ILE A 82 9.212 3.785 4.344 1.00 1.00 C ATOM 1291 CD1 ILE A 82 10.877 3.998 6.874 1.00 1.00 C ATOM 0 H ILE A 82 8.869 4.139 8.189 1.00 1.00 H new ATOM 0 HA ILE A 82 8.156 5.566 5.742 1.00 1.00 H new ATOM 0 HB ILE A 82 7.877 2.674 5.633 1.00 1.00 H new ATOM 0 HG12 ILE A 82 9.379 2.606 7.598 1.00 1.00 H new ATOM 0 HG13 ILE A 82 10.240 2.044 6.179 1.00 1.00 H new ATOM 0 HG21 ILE A 82 9.680 2.898 3.917 1.00 1.00 H new ATOM 0 HG22 ILE A 82 8.406 4.120 3.691 1.00 1.00 H new ATOM 0 HG23 ILE A 82 9.955 4.577 4.439 1.00 1.00 H new ATOM 0 HD11 ILE A 82 11.661 3.589 7.511 1.00 1.00 H new ATOM 0 HD12 ILE A 82 11.306 4.297 5.917 1.00 1.00 H new ATOM 0 HD13 ILE A 82 10.432 4.867 7.359 1.00 1.00 H new ATOM 1303 N GLY A 83 5.823 4.183 5.349 1.00 1.00 N ATOM 1304 CA GLY A 83 4.378 3.961 5.308 1.00 1.00 C ATOM 1305 C GLY A 83 3.863 3.998 3.877 1.00 1.00 C ATOM 1306 O GLY A 83 4.611 4.300 2.946 1.00 1.00 O ATOM 0 H GLY A 83 6.297 4.060 4.454 1.00 1.00 H new ATOM 0 HA2 GLY A 83 4.141 2.997 5.759 1.00 1.00 H new ATOM 0 HA3 GLY A 83 3.872 4.723 5.901 1.00 1.00 H new ATOM 1310 N LEU A 84 2.581 3.664 3.701 1.00 1.00 N ATOM 1311 CA LEU A 84 1.995 3.642 2.361 1.00 1.00 C ATOM 1312 C LEU A 84 1.668 5.055 1.898 1.00 1.00 C ATOM 1313 O LEU A 84 2.493 5.708 1.257 1.00 1.00 O ATOM 1314 CB LEU A 84 0.707 2.797 2.411 1.00 1.00 C ATOM 1315 CG LEU A 84 1.040 1.284 2.478 1.00 1.00 C ATOM 1316 CD1 LEU A 84 1.717 0.804 1.164 1.00 1.00 C ATOM 1317 CD2 LEU A 84 1.953 0.997 3.692 1.00 1.00 C ATOM 0 H LEU A 84 1.941 3.410 4.454 1.00 1.00 H new ATOM 0 HA LEU A 84 2.706 3.210 1.656 1.00 1.00 H new ATOM 0 HB2 LEU A 84 0.114 3.082 3.280 1.00 1.00 H new ATOM 0 HB3 LEU A 84 0.099 3.001 1.530 1.00 1.00 H new ATOM 0 HG LEU A 84 0.108 0.731 2.597 1.00 1.00 H new ATOM 0 HD11 LEU A 84 1.940 -0.260 1.237 1.00 1.00 H new ATOM 0 HD12 LEU A 84 1.044 0.977 0.324 1.00 1.00 H new ATOM 0 HD13 LEU A 84 2.642 1.359 1.008 1.00 1.00 H new ATOM 0 HD21 LEU A 84 2.182 -0.068 3.731 1.00 1.00 H new ATOM 0 HD22 LEU A 84 2.879 1.564 3.593 1.00 1.00 H new ATOM 0 HD23 LEU A 84 1.443 1.293 4.609 1.00 1.00 H new ATOM 1329 N GLY A 85 0.470 5.533 2.210 1.00 1.00 N ATOM 1330 CA GLY A 85 0.077 6.867 1.793 1.00 1.00 C ATOM 1331 C GLY A 85 -1.334 7.201 2.284 1.00 1.00 C ATOM 1332 O GLY A 85 -1.770 8.348 2.207 1.00 1.00 O ATOM 0 H GLY A 85 -0.235 5.023 2.743 1.00 1.00 H new ATOM 0 HA2 GLY A 85 0.785 7.598 2.184 1.00 1.00 H new ATOM 0 HA3 GLY A 85 0.114 6.938 0.706 1.00 1.00 H new ATOM 1336 N VAL A 86 -2.048 6.181 2.788 1.00 1.00 N ATOM 1337 CA VAL A 86 -3.424 6.352 3.299 1.00 1.00 C ATOM 1338 C VAL A 86 -3.445 6.210 4.814 1.00 1.00 C ATOM 1339 O VAL A 86 -2.438 5.843 5.419 1.00 1.00 O ATOM 1340 CB VAL A 86 -4.348 5.316 2.656 1.00 1.00 C ATOM 1341 CG1 VAL A 86 -4.383 5.560 1.147 1.00 1.00 C ATOM 1342 CG2 VAL A 86 -3.827 3.904 2.927 1.00 1.00 C ATOM 0 H VAL A 86 -1.696 5.226 2.854 1.00 1.00 H new ATOM 0 HA VAL A 86 -3.777 7.350 3.041 1.00 1.00 H new ATOM 0 HB VAL A 86 -5.348 5.410 3.079 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -5.038 4.828 0.675 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -4.759 6.564 0.949 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -3.377 5.462 0.739 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -4.493 3.175 2.464 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -2.826 3.799 2.508 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -3.790 3.730 4.002 1.00 1.00 H new ATOM 1352 N THR A 87 -4.585 6.525 5.434 1.00 1.00 N ATOM 1353 CA THR A 87 -4.718 6.445 6.890 1.00 1.00 C ATOM 1354 C THR A 87 -5.059 5.025 7.332 1.00 1.00 C ATOM 1355 O THR A 87 -5.722 4.335 6.579 1.00 1.00 O ATOM 1356 CB THR A 87 -5.822 7.407 7.343 1.00 1.00 C ATOM 1357 OG1 THR A 87 -5.583 8.691 6.785 1.00 1.00 O ATOM 1358 CG2 THR A 87 -5.842 7.509 8.871 1.00 1.00 C ATOM 0 H THR A 87 -5.428 6.837 4.951 1.00 1.00 H new ATOM 0 HA THR A 87 -3.767 6.722 7.346 1.00 1.00 H new ATOM 0 HB THR A 87 -6.786 7.029 7.002 1.00 1.00 H new ATOM 0 HG1 THR A 87 -6.288 9.308 7.071 1.00 1.00 H new ATOM 0 HG21 THR A 87 -6.631 8.195 9.180 1.00 1.00 H new ATOM 0 HG22 THR A 87 -6.030 6.524 9.299 1.00 1.00 H new ATOM 0 HG23 THR A 87 -4.880 7.880 9.224 1.00 1.00 H new TER 1366 THR A 87