USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 35 THR OG1 : rot 170:sc= -0.712! USER MOD Set 1.2: A 52 TYR OH : rot 165:sc= 0.00885 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 7 ASN : amide:sc= -3.62! C(o=-3.6!,f=-3.9!) USER MOD Single : A 11 TYR OH : rot -76:sc= 1.01 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -140:sc= -0.0703 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -122:sc= 0.0432 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.31 (180deg=-1.38!) USER MOD Single : A 27 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -4.41! (180deg=-5.15!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -1.79! (180deg=-2.84!) USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= -0.0514 (180deg=-0.441) USER MOD Single : A 51 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.51) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 56 ASN :FLIP amide:sc= -5.05! C(o=-9.2!,f=-5!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -17:sc= -2.05 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= -2.28! (180deg=-4.3!) USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.123 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.813 0.971 -0.944 1.00 52.31 N ATOM 2 CA CYS A 1 1.843 0.724 -1.939 1.00 33.33 C ATOM 3 C CYS A 1 1.501 -0.576 -2.670 1.00 43.25 C ATOM 4 O CYS A 1 2.137 -1.604 -2.446 1.00 24.33 O ATOM 5 CB CYS A 1 3.237 0.675 -1.310 1.00 14.33 C ATOM 6 SG CYS A 1 4.510 -0.153 -2.329 1.00 63.43 S ATOM 0 H1 CYS A 1 1.027 1.852 -0.434 1.00 52.31 H new ATOM 0 H2 CYS A 1 -0.110 1.058 -1.414 1.00 52.31 H new ATOM 0 H3 CYS A 1 0.785 0.179 -0.270 1.00 52.31 H new ATOM 0 HA CYS A 1 1.868 1.547 -2.654 1.00 33.33 H new ATOM 0 HB2 CYS A 1 3.563 1.694 -1.104 1.00 14.33 H new ATOM 0 HB3 CYS A 1 3.169 0.162 -0.351 1.00 14.33 H new ATOM 11 N TYR A 2 0.498 -0.487 -3.531 1.00 40.21 N ATOM 12 CA TYR A 2 0.064 -1.643 -4.297 1.00 45.13 C ATOM 13 C TYR A 2 1.187 -2.152 -5.204 1.00 30.44 C ATOM 14 O TYR A 2 2.063 -1.387 -5.602 1.00 44.04 O ATOM 15 CB TYR A 2 -1.098 -1.160 -5.167 1.00 61.43 C ATOM 16 CG TYR A 2 -2.383 -0.877 -4.387 1.00 51.21 C ATOM 17 CD1 TYR A 2 -2.416 -1.064 -3.020 1.00 50.42 C ATOM 18 CD2 TYR A 2 -3.510 -0.434 -5.050 1.00 44.05 C ATOM 19 CE1 TYR A 2 -3.626 -0.797 -2.286 1.00 3.41 C ATOM 20 CE2 TYR A 2 -4.719 -0.167 -4.316 1.00 72.02 C ATOM 21 CZ TYR A 2 -4.718 -0.362 -2.970 1.00 45.42 C ATOM 22 OH TYR A 2 -5.860 -0.109 -2.277 1.00 20.53 O ATOM 0 H TYR A 2 -0.027 0.368 -3.715 1.00 40.21 H new ATOM 0 HA TYR A 2 -0.222 -2.459 -3.633 1.00 45.13 H new ATOM 0 HB2 TYR A 2 -0.795 -0.253 -5.689 1.00 61.43 H new ATOM 0 HB3 TYR A 2 -1.305 -1.912 -5.928 1.00 61.43 H new ATOM 0 HD1 TYR A 2 -1.535 -1.410 -2.501 1.00 50.42 H new ATOM 0 HD2 TYR A 2 -3.484 -0.288 -6.120 1.00 44.05 H new ATOM 0 HE1 TYR A 2 -3.665 -0.939 -1.216 1.00 3.41 H new ATOM 0 HE2 TYR A 2 -5.607 0.180 -4.823 1.00 72.02 H new ATOM 0 HH TYR A 2 -6.557 0.196 -2.895 1.00 20.53 H new ATOM 32 N VAL A 3 1.124 -3.442 -5.502 1.00 53.45 N ATOM 33 CA VAL A 3 2.124 -4.062 -6.354 1.00 71.33 C ATOM 34 C VAL A 3 1.425 -4.905 -7.423 1.00 62.11 C ATOM 35 O VAL A 3 0.595 -5.756 -7.173 1.00 20.55 O ATOM 36 CB VAL A 3 3.107 -4.870 -5.504 1.00 51.03 C ATOM 37 CG1 VAL A 3 2.668 -6.332 -5.398 1.00 54.33 C ATOM 38 CG2 VAL A 3 4.528 -4.763 -6.060 1.00 24.40 C ATOM 0 H VAL A 3 0.396 -4.074 -5.169 1.00 53.45 H new ATOM 0 HA VAL A 3 2.710 -3.302 -6.871 1.00 71.33 H new ATOM 0 HB VAL A 3 3.107 -4.447 -4.499 1.00 51.03 H new ATOM 0 HG11 VAL A 3 3.384 -6.884 -4.789 1.00 54.33 H new ATOM 0 HG12 VAL A 3 1.682 -6.383 -4.935 1.00 54.33 H new ATOM 0 HG13 VAL A 3 2.624 -6.772 -6.394 1.00 54.33 H new ATOM 0 HG21 VAL A 3 5.207 -5.346 -5.438 1.00 24.40 H new ATOM 0 HG22 VAL A 3 4.550 -5.147 -7.080 1.00 24.40 H new ATOM 0 HG23 VAL A 3 4.841 -3.719 -6.059 1.00 24.40 H new ATOM 48 N ASP A 4 1.784 -4.647 -8.650 1.00 63.23 N ATOM 49 CA ASP A 4 1.180 -5.405 -9.782 1.00 63.21 C ATOM 50 C ASP A 4 2.001 -6.668 -10.064 1.00 44.21 C ATOM 51 O ASP A 4 3.228 -6.575 -10.038 1.00 54.33 O ATOM 52 CB ASP A 4 1.238 -4.449 -10.974 1.00 64.42 C ATOM 53 CG ASP A 4 0.672 -5.143 -12.214 1.00 61.02 C ATOM 54 OD1 ASP A 4 0.097 -6.209 -12.063 1.00 1.13 O ATOM 55 OD2 ASP A 4 0.823 -4.599 -13.296 1.00 4.22 O ATOM 0 H ASP A 4 2.471 -3.942 -8.918 1.00 63.23 H new ATOM 0 HA ASP A 4 0.161 -5.728 -9.570 1.00 63.21 H new ATOM 0 HB2 ASP A 4 0.667 -3.546 -10.757 1.00 64.42 H new ATOM 0 HB3 ASP A 4 2.267 -4.140 -11.156 1.00 64.42 H new ATOM 60 N THR A 5 1.339 -7.787 -10.315 1.00 31.41 N ATOM 61 CA THR A 5 2.043 -9.029 -10.587 1.00 3.11 C ATOM 62 C THR A 5 1.946 -9.383 -12.072 1.00 73.00 C ATOM 63 O THR A 5 2.181 -10.527 -12.458 1.00 32.12 O ATOM 64 CB THR A 5 1.471 -10.108 -9.666 1.00 24.51 C ATOM 65 OG1 THR A 5 0.093 -10.175 -10.023 1.00 24.02 O ATOM 66 CG2 THR A 5 1.456 -9.678 -8.198 1.00 14.42 C ATOM 0 H THR A 5 0.322 -7.860 -10.336 1.00 31.41 H new ATOM 0 HA THR A 5 3.108 -8.934 -10.377 1.00 3.11 H new ATOM 0 HB THR A 5 2.057 -11.021 -9.770 1.00 24.51 H new ATOM 0 HG1 THR A 5 -0.354 -10.853 -9.474 1.00 24.02 H new ATOM 0 HG21 THR A 5 1.041 -10.480 -7.588 1.00 14.42 H new ATOM 0 HG22 THR A 5 2.474 -9.463 -7.871 1.00 14.42 H new ATOM 0 HG23 THR A 5 0.843 -8.783 -8.087 1.00 14.42 H new ATOM 74 N ASN A 6 1.599 -8.380 -12.865 1.00 74.11 N ATOM 75 CA ASN A 6 1.467 -8.571 -14.299 1.00 70.25 C ATOM 76 C ASN A 6 2.595 -7.825 -15.015 1.00 10.23 C ATOM 77 O ASN A 6 3.009 -8.216 -16.105 1.00 50.50 O ATOM 78 CB ASN A 6 0.135 -8.016 -14.809 1.00 64.32 C ATOM 79 CG ASN A 6 -1.028 -8.495 -13.938 1.00 24.01 C ATOM 80 OD1 ASN A 6 -1.910 -7.739 -13.565 1.00 60.42 O ATOM 81 ND2 ASN A 6 -0.980 -9.789 -13.635 1.00 24.10 N ATOM 0 H ASN A 6 1.405 -7.432 -12.541 1.00 74.11 H new ATOM 0 HA ASN A 6 1.513 -9.641 -14.502 1.00 70.25 H new ATOM 0 HB2 ASN A 6 0.168 -6.926 -14.811 1.00 64.32 H new ATOM 0 HB3 ASN A 6 -0.024 -8.332 -15.840 1.00 64.32 H new ATOM 0 HD21 ASN A 6 -1.710 -10.205 -13.057 1.00 24.10 H new ATOM 0 HD22 ASN A 6 -0.213 -10.366 -13.980 1.00 24.10 H new ATOM 88 N ASN A 7 3.060 -6.764 -14.372 1.00 1.14 N ATOM 89 CA ASN A 7 4.132 -5.959 -14.933 1.00 21.24 C ATOM 90 C ASN A 7 3.542 -4.945 -15.914 1.00 42.51 C ATOM 91 O ASN A 7 4.241 -4.452 -16.798 1.00 44.30 O ATOM 92 CB ASN A 7 5.132 -6.829 -15.696 1.00 61.54 C ATOM 93 CG ASN A 7 5.376 -8.153 -14.968 1.00 52.31 C ATOM 94 OD1 ASN A 7 5.124 -9.230 -15.482 1.00 54.15 O ATOM 95 ND2 ASN A 7 5.879 -8.012 -13.745 1.00 31.40 N ATOM 0 H ASN A 7 2.714 -6.443 -13.468 1.00 1.14 H new ATOM 0 HA ASN A 7 4.644 -5.458 -14.111 1.00 21.24 H new ATOM 0 HB2 ASN A 7 4.756 -7.026 -16.700 1.00 61.54 H new ATOM 0 HB3 ASN A 7 6.074 -6.293 -15.808 1.00 61.54 H new ATOM 0 HD21 ASN A 7 6.077 -8.836 -13.177 1.00 31.40 H new ATOM 0 HD22 ASN A 7 6.067 -7.080 -13.375 1.00 31.40 H new ATOM 102 N ASP A 8 2.262 -4.662 -15.726 1.00 35.45 N ATOM 103 CA ASP A 8 1.570 -3.715 -16.583 1.00 73.32 C ATOM 104 C ASP A 8 1.830 -2.294 -16.081 1.00 4.14 C ATOM 105 O ASP A 8 1.590 -1.324 -16.798 1.00 63.12 O ATOM 106 CB ASP A 8 0.059 -3.955 -16.562 1.00 12.42 C ATOM 107 CG ASP A 8 -0.363 -5.425 -16.561 1.00 71.35 C ATOM 108 OD1 ASP A 8 0.301 -6.206 -17.277 1.00 74.21 O ATOM 109 OD2 ASP A 8 -1.340 -5.735 -15.846 1.00 24.55 O ATOM 0 H ASP A 8 1.685 -5.072 -14.992 1.00 35.45 H new ATOM 0 HA ASP A 8 1.942 -3.846 -17.599 1.00 73.32 H new ATOM 0 HB2 ASP A 8 -0.358 -3.473 -15.678 1.00 12.42 H new ATOM 0 HB3 ASP A 8 -0.383 -3.466 -17.430 1.00 12.42 H new ATOM 114 N GLY A 9 2.318 -2.215 -14.851 1.00 63.44 N ATOM 115 CA GLY A 9 2.614 -0.929 -14.244 1.00 42.34 C ATOM 116 C GLY A 9 1.343 -0.273 -13.702 1.00 33.13 C ATOM 117 O GLY A 9 1.294 0.943 -13.526 1.00 53.41 O ATOM 0 H GLY A 9 2.516 -3.022 -14.259 1.00 63.44 H new ATOM 0 HA2 GLY A 9 3.332 -1.061 -13.435 1.00 42.34 H new ATOM 0 HA3 GLY A 9 3.080 -0.274 -14.980 1.00 42.34 H new ATOM 121 N ALA A 10 0.345 -1.108 -13.451 1.00 62.31 N ATOM 122 CA ALA A 10 -0.923 -0.625 -12.932 1.00 20.11 C ATOM 123 C ALA A 10 -1.504 -1.664 -11.970 1.00 55.55 C ATOM 124 O ALA A 10 -1.188 -2.848 -12.065 1.00 71.44 O ATOM 125 CB ALA A 10 -1.866 -0.315 -14.096 1.00 35.32 C ATOM 0 H ALA A 10 0.389 -2.116 -13.598 1.00 62.31 H new ATOM 0 HA ALA A 10 -0.782 0.300 -12.372 1.00 20.11 H new ATOM 0 HB1 ALA A 10 -2.817 0.047 -13.707 1.00 35.32 H new ATOM 0 HB2 ALA A 10 -1.420 0.449 -14.732 1.00 35.32 H new ATOM 0 HB3 ALA A 10 -2.034 -1.220 -14.679 1.00 35.32 H new ATOM 131 N TYR A 11 -2.344 -1.181 -11.067 1.00 35.25 N ATOM 132 CA TYR A 11 -2.973 -2.053 -10.089 1.00 11.14 C ATOM 133 C TYR A 11 -4.452 -2.267 -10.416 1.00 33.23 C ATOM 134 O TYR A 11 -5.231 -1.315 -10.438 1.00 61.24 O ATOM 135 CB TYR A 11 -2.860 -1.330 -8.745 1.00 24.21 C ATOM 136 CG TYR A 11 -1.432 -0.920 -8.377 1.00 72.24 C ATOM 137 CD1 TYR A 11 -0.400 -1.829 -8.498 1.00 35.10 C ATOM 138 CD2 TYR A 11 -1.176 0.358 -7.925 1.00 51.34 C ATOM 139 CE1 TYR A 11 0.943 -1.443 -8.152 1.00 61.31 C ATOM 140 CE2 TYR A 11 0.167 0.744 -7.580 1.00 5.14 C ATOM 141 CZ TYR A 11 1.161 -0.176 -7.710 1.00 53.30 C ATOM 142 OH TYR A 11 2.430 0.189 -7.383 1.00 74.34 O ATOM 0 H TYR A 11 -2.604 -0.198 -10.992 1.00 35.25 H new ATOM 0 HA TYR A 11 -2.491 -3.030 -10.080 1.00 11.14 H new ATOM 0 HB2 TYR A 11 -3.488 -0.439 -8.769 1.00 24.21 H new ATOM 0 HB3 TYR A 11 -3.255 -1.977 -7.962 1.00 24.21 H new ATOM 0 HD1 TYR A 11 -0.600 -2.829 -8.852 1.00 35.10 H new ATOM 0 HD2 TYR A 11 -1.983 1.069 -7.830 1.00 51.34 H new ATOM 0 HE1 TYR A 11 1.759 -2.144 -8.242 1.00 61.31 H new ATOM 0 HE2 TYR A 11 0.381 1.742 -7.226 1.00 5.14 H new ATOM 0 HH TYR A 11 2.669 -0.199 -6.515 1.00 74.34 H new ATOM 152 N GLU A 12 -4.795 -3.523 -10.661 1.00 33.33 N ATOM 153 CA GLU A 12 -6.167 -3.875 -10.985 1.00 53.45 C ATOM 154 C GLU A 12 -6.432 -5.344 -10.652 1.00 32.14 C ATOM 155 O GLU A 12 -5.787 -6.235 -11.201 1.00 60.34 O ATOM 156 CB GLU A 12 -6.475 -3.582 -12.455 1.00 61.44 C ATOM 157 CG GLU A 12 -5.892 -4.667 -13.364 1.00 10.13 C ATOM 158 CD GLU A 12 -4.397 -4.856 -13.101 1.00 64.44 C ATOM 159 OE1 GLU A 12 -3.722 -3.825 -12.893 1.00 22.01 O ATOM 160 OE2 GLU A 12 -3.962 -6.028 -13.115 1.00 71.43 O ATOM 0 H GLU A 12 -4.146 -4.310 -10.642 1.00 33.33 H new ATOM 0 HA GLU A 12 -6.832 -3.260 -10.378 1.00 53.45 H new ATOM 0 HB2 GLU A 12 -7.554 -3.522 -12.599 1.00 61.44 H new ATOM 0 HB3 GLU A 12 -6.062 -2.611 -12.730 1.00 61.44 H new ATOM 0 HG2 GLU A 12 -6.416 -5.608 -13.196 1.00 10.13 H new ATOM 0 HG3 GLU A 12 -6.050 -4.396 -14.408 1.00 10.13 H new ATOM 167 N GLY A 13 -7.383 -5.551 -9.752 1.00 64.41 N ATOM 168 CA GLY A 13 -7.741 -6.898 -9.338 1.00 43.54 C ATOM 169 C GLY A 13 -7.221 -7.195 -7.930 1.00 63.15 C ATOM 170 O GLY A 13 -7.644 -6.565 -6.963 1.00 2.14 O ATOM 0 H GLY A 13 -7.916 -4.809 -9.298 1.00 64.41 H new ATOM 0 HA2 GLY A 13 -8.825 -7.014 -9.361 1.00 43.54 H new ATOM 0 HA3 GLY A 13 -7.328 -7.621 -10.042 1.00 43.54 H new ATOM 174 N ASP A 14 -6.311 -8.156 -7.861 1.00 43.51 N ATOM 175 CA ASP A 14 -5.729 -8.544 -6.588 1.00 24.32 C ATOM 176 C ASP A 14 -4.667 -7.519 -6.183 1.00 71.41 C ATOM 177 O ASP A 14 -4.264 -7.463 -5.022 1.00 72.13 O ATOM 178 CB ASP A 14 -5.051 -9.913 -6.687 1.00 12.53 C ATOM 179 CG ASP A 14 -4.224 -10.315 -5.464 1.00 14.32 C ATOM 180 OD1 ASP A 14 -4.759 -10.840 -4.476 1.00 11.10 O ATOM 181 OD2 ASP A 14 -2.962 -10.065 -5.553 1.00 41.02 O ATOM 0 H ASP A 14 -5.963 -8.677 -8.666 1.00 43.51 H new ATOM 0 HA ASP A 14 -6.531 -8.590 -5.851 1.00 24.32 H new ATOM 0 HB2 ASP A 14 -5.817 -10.670 -6.853 1.00 12.53 H new ATOM 0 HB3 ASP A 14 -4.402 -9.918 -7.563 1.00 12.53 H new ATOM 187 N GLU A 15 -4.244 -6.734 -7.163 1.00 75.31 N ATOM 188 CA GLU A 15 -3.238 -5.714 -6.924 1.00 24.44 C ATOM 189 C GLU A 15 -3.837 -4.553 -6.129 1.00 54.40 C ATOM 190 O GLU A 15 -3.130 -3.614 -5.765 1.00 73.15 O ATOM 191 CB GLU A 15 -2.631 -5.223 -8.239 1.00 62.34 C ATOM 192 CG GLU A 15 -2.184 -6.400 -9.110 1.00 52.50 C ATOM 193 CD GLU A 15 -2.014 -5.969 -10.568 1.00 41.33 C ATOM 194 OE1 GLU A 15 -1.483 -4.856 -10.773 1.00 12.41 O ATOM 195 OE2 GLU A 15 -2.418 -6.762 -11.445 1.00 75.23 O ATOM 0 H GLU A 15 -4.580 -6.784 -8.125 1.00 75.31 H new ATOM 0 HA GLU A 15 -2.435 -6.156 -6.334 1.00 24.44 H new ATOM 0 HB2 GLU A 15 -3.363 -4.623 -8.780 1.00 62.34 H new ATOM 0 HB3 GLU A 15 -1.779 -4.576 -8.031 1.00 62.34 H new ATOM 0 HG2 GLU A 15 -1.242 -6.799 -8.733 1.00 52.50 H new ATOM 0 HG3 GLU A 15 -2.919 -7.203 -9.048 1.00 52.50 H new ATOM 202 N LEU A 16 -5.135 -4.654 -5.883 1.00 13.42 N ATOM 203 CA LEU A 16 -5.838 -3.623 -5.138 1.00 52.20 C ATOM 204 C LEU A 16 -6.255 -4.179 -3.775 1.00 70.10 C ATOM 205 O LEU A 16 -7.149 -3.638 -3.127 1.00 12.43 O ATOM 206 CB LEU A 16 -7.004 -3.069 -5.959 1.00 75.52 C ATOM 207 CG LEU A 16 -6.653 -2.538 -7.350 1.00 43.31 C ATOM 208 CD1 LEU A 16 -7.915 -2.168 -8.131 1.00 72.22 C ATOM 209 CD2 LEU A 16 -5.673 -1.367 -7.258 1.00 4.54 C ATOM 0 H LEU A 16 -5.718 -5.434 -6.186 1.00 13.42 H new ATOM 0 HA LEU A 16 -5.180 -2.775 -4.949 1.00 52.20 H new ATOM 0 HB2 LEU A 16 -7.750 -3.856 -6.070 1.00 75.52 H new ATOM 0 HB3 LEU A 16 -7.471 -2.264 -5.392 1.00 75.52 H new ATOM 0 HG LEU A 16 -6.154 -3.334 -7.903 1.00 43.31 H new ATOM 0 HD11 LEU A 16 -7.637 -1.793 -9.116 1.00 72.22 H new ATOM 0 HD12 LEU A 16 -8.545 -3.050 -8.243 1.00 72.22 H new ATOM 0 HD13 LEU A 16 -8.464 -1.396 -7.591 1.00 72.22 H new ATOM 0 HD21 LEU A 16 -5.440 -1.008 -8.260 1.00 4.54 H new ATOM 0 HD22 LEU A 16 -6.123 -0.560 -6.679 1.00 4.54 H new ATOM 0 HD23 LEU A 16 -4.757 -1.697 -6.768 1.00 4.54 H new ATOM 221 N SER A 17 -5.587 -5.253 -3.381 1.00 33.33 N ATOM 222 CA SER A 17 -5.877 -5.889 -2.107 1.00 12.14 C ATOM 223 C SER A 17 -5.001 -5.284 -1.008 1.00 45.44 C ATOM 224 O SER A 17 -5.338 -5.358 0.172 1.00 31.10 O ATOM 225 CB SER A 17 -5.662 -7.402 -2.184 1.00 40.41 C ATOM 226 OG SER A 17 -6.394 -8.097 -1.179 1.00 31.23 O ATOM 0 H SER A 17 -4.846 -5.699 -3.921 1.00 33.33 H new ATOM 0 HA SER A 17 -6.925 -5.710 -1.867 1.00 12.14 H new ATOM 0 HB2 SER A 17 -5.965 -7.762 -3.167 1.00 40.41 H new ATOM 0 HB3 SER A 17 -4.600 -7.623 -2.077 1.00 40.41 H new ATOM 0 HG SER A 17 -6.231 -9.060 -1.263 1.00 31.23 H new ATOM 232 N GLY A 18 -3.892 -4.698 -1.436 1.00 41.23 N ATOM 233 CA GLY A 18 -2.964 -4.080 -0.504 1.00 71.01 C ATOM 234 C GLY A 18 -1.676 -4.898 -0.389 1.00 34.22 C ATOM 235 O GLY A 18 -1.722 -6.123 -0.280 1.00 53.43 O ATOM 0 H GLY A 18 -3.615 -4.638 -2.416 1.00 41.23 H new ATOM 0 HA2 GLY A 18 -2.728 -3.069 -0.836 1.00 71.01 H new ATOM 0 HA3 GLY A 18 -3.432 -3.992 0.476 1.00 71.01 H new ATOM 239 N THR A 19 -0.558 -4.189 -0.416 1.00 42.31 N ATOM 240 CA THR A 19 0.740 -4.834 -0.316 1.00 3.21 C ATOM 241 C THR A 19 1.470 -4.371 0.947 1.00 52.03 C ATOM 242 O THR A 19 0.915 -3.621 1.749 1.00 44.14 O ATOM 243 CB THR A 19 1.513 -4.545 -1.604 1.00 53.45 C ATOM 244 OG1 THR A 19 0.519 -4.600 -2.625 1.00 23.24 O ATOM 245 CG2 THR A 19 2.485 -5.668 -1.969 1.00 72.44 C ATOM 0 H THR A 19 -0.524 -3.174 -0.506 1.00 42.31 H new ATOM 0 HA THR A 19 0.637 -5.915 -0.217 1.00 3.21 H new ATOM 0 HB THR A 19 2.064 -3.611 -1.495 1.00 53.45 H new ATOM 0 HG1 THR A 19 0.887 -5.047 -3.416 1.00 23.24 H new ATOM 0 HG21 THR A 19 3.007 -5.412 -2.891 1.00 72.44 H new ATOM 0 HG22 THR A 19 3.210 -5.797 -1.165 1.00 72.44 H new ATOM 0 HG23 THR A 19 1.932 -6.596 -2.112 1.00 72.44 H new ATOM 253 N MET A 20 2.702 -4.837 1.084 1.00 23.41 N ATOM 254 CA MET A 20 3.514 -4.481 2.236 1.00 55.34 C ATOM 255 C MET A 20 4.894 -3.984 1.801 1.00 11.11 C ATOM 256 O MET A 20 5.560 -4.623 0.988 1.00 0.12 O ATOM 257 CB MET A 20 3.673 -5.700 3.145 1.00 32.35 C ATOM 258 CG MET A 20 2.312 -6.202 3.633 1.00 61.55 C ATOM 259 SD MET A 20 2.536 -7.465 4.875 1.00 50.52 S ATOM 260 CE MET A 20 1.321 -6.940 6.072 1.00 14.12 C ATOM 0 H MET A 20 3.159 -5.458 0.416 1.00 23.41 H new ATOM 0 HA MET A 20 3.013 -3.678 2.776 1.00 55.34 H new ATOM 0 HB2 MET A 20 4.186 -6.496 2.605 1.00 32.35 H new ATOM 0 HB3 MET A 20 4.297 -5.441 4.000 1.00 32.35 H new ATOM 0 HG2 MET A 20 1.736 -5.373 4.045 1.00 61.55 H new ATOM 0 HG3 MET A 20 1.741 -6.602 2.795 1.00 61.55 H new ATOM 0 HE1 MET A 20 1.327 -7.624 6.921 1.00 14.12 H new ATOM 0 HE2 MET A 20 1.560 -5.933 6.415 1.00 14.12 H new ATOM 0 HE3 MET A 20 0.333 -6.941 5.612 1.00 14.12 H new ATOM 270 N GLU A 21 5.282 -2.848 2.362 1.00 24.33 N ATOM 271 CA GLU A 21 6.571 -2.258 2.043 1.00 24.40 C ATOM 272 C GLU A 21 7.579 -2.549 3.157 1.00 31.31 C ATOM 273 O GLU A 21 7.331 -2.236 4.321 1.00 72.35 O ATOM 274 CB GLU A 21 6.441 -0.753 1.801 1.00 32.33 C ATOM 275 CG GLU A 21 7.795 -0.055 1.944 1.00 71.52 C ATOM 276 CD GLU A 21 8.111 0.234 3.413 1.00 55.13 C ATOM 277 OE1 GLU A 21 7.308 0.880 4.104 1.00 62.54 O ATOM 278 OE2 GLU A 21 9.235 -0.239 3.832 1.00 1.52 O ATOM 0 H GLU A 21 4.726 -2.321 3.035 1.00 24.33 H new ATOM 0 HA GLU A 21 6.937 -2.711 1.121 1.00 24.40 H new ATOM 0 HB2 GLU A 21 6.040 -0.575 0.803 1.00 32.33 H new ATOM 0 HB3 GLU A 21 5.732 -0.327 2.511 1.00 32.33 H new ATOM 0 HG2 GLU A 21 8.578 -0.681 1.516 1.00 71.52 H new ATOM 0 HG3 GLU A 21 7.789 0.877 1.379 1.00 71.52 H new ATOM 286 N TYR A 22 8.694 -3.145 2.762 1.00 44.12 N ATOM 287 CA TYR A 22 9.740 -3.482 3.713 1.00 44.44 C ATOM 288 C TYR A 22 11.032 -2.724 3.398 1.00 60.23 C ATOM 289 O TYR A 22 11.311 -2.420 2.239 1.00 53.01 O ATOM 290 CB TYR A 22 9.991 -4.982 3.550 1.00 33.22 C ATOM 291 CG TYR A 22 8.717 -5.830 3.562 1.00 24.33 C ATOM 292 CD1 TYR A 22 7.923 -5.899 2.436 1.00 43.13 C ATOM 293 CD2 TYR A 22 8.363 -6.527 4.700 1.00 51.30 C ATOM 294 CE1 TYR A 22 6.725 -6.697 2.447 1.00 32.21 C ATOM 295 CE2 TYR A 22 7.164 -7.325 4.711 1.00 4.04 C ATOM 296 CZ TYR A 22 6.405 -7.371 3.584 1.00 15.24 C ATOM 297 OH TYR A 22 5.273 -8.125 3.595 1.00 13.32 O ATOM 0 H TYR A 22 8.896 -3.403 1.796 1.00 44.12 H new ATOM 0 HA TYR A 22 9.438 -3.216 4.726 1.00 44.44 H new ATOM 0 HB2 TYR A 22 10.520 -5.152 2.612 1.00 33.22 H new ATOM 0 HB3 TYR A 22 10.648 -5.320 4.352 1.00 33.22 H new ATOM 0 HD1 TYR A 22 8.200 -5.354 1.546 1.00 43.13 H new ATOM 0 HD2 TYR A 22 8.985 -6.474 5.581 1.00 51.30 H new ATOM 0 HE1 TYR A 22 6.095 -6.759 1.572 1.00 32.21 H new ATOM 0 HE2 TYR A 22 6.874 -7.874 5.595 1.00 4.04 H new ATOM 0 HH TYR A 22 4.680 -7.814 4.310 1.00 13.32 H new ATOM 307 N LYS A 23 11.786 -2.442 4.450 1.00 40.42 N ATOM 308 CA LYS A 23 13.042 -1.726 4.300 1.00 15.42 C ATOM 309 C LYS A 23 14.204 -2.716 4.400 1.00 15.13 C ATOM 310 O LYS A 23 14.420 -3.321 5.449 1.00 13.33 O ATOM 311 CB LYS A 23 13.125 -0.575 5.306 1.00 65.35 C ATOM 312 CG LYS A 23 13.927 0.596 4.733 1.00 23.54 C ATOM 313 CD LYS A 23 14.509 1.461 5.853 1.00 23.42 C ATOM 314 CE LYS A 23 13.506 2.525 6.301 1.00 11.14 C ATOM 315 NZ LYS A 23 13.063 3.338 5.147 1.00 54.31 N ATOM 0 H LYS A 23 11.552 -2.696 5.410 1.00 40.42 H new ATOM 0 HA LYS A 23 13.102 -1.263 3.315 1.00 15.42 H new ATOM 0 HB2 LYS A 23 12.121 -0.240 5.565 1.00 65.35 H new ATOM 0 HB3 LYS A 23 13.592 -0.925 6.227 1.00 65.35 H new ATOM 0 HG2 LYS A 23 14.733 0.217 4.105 1.00 23.54 H new ATOM 0 HG3 LYS A 23 13.285 1.204 4.095 1.00 23.54 H new ATOM 0 HD2 LYS A 23 14.779 0.831 6.701 1.00 23.42 H new ATOM 0 HD3 LYS A 23 15.425 1.941 5.508 1.00 23.42 H new ATOM 0 HE2 LYS A 23 12.645 2.048 6.769 1.00 11.14 H new ATOM 0 HE3 LYS A 23 13.962 3.169 7.053 1.00 11.14 H new ATOM 0 HZ1 LYS A 23 12.764 4.277 5.479 1.00 54.31 H new ATOM 0 HZ2 LYS A 23 13.849 3.443 4.474 1.00 54.31 H new ATOM 0 HZ3 LYS A 23 12.265 2.866 4.676 1.00 54.31 H new ATOM 328 N LEU A 24 14.921 -2.851 3.295 1.00 40.13 N ATOM 329 CA LEU A 24 16.055 -3.757 3.245 1.00 65.42 C ATOM 330 C LEU A 24 17.341 -2.974 3.519 1.00 30.42 C ATOM 331 O LEU A 24 17.735 -2.122 2.724 1.00 34.23 O ATOM 332 CB LEU A 24 16.072 -4.522 1.920 1.00 62.33 C ATOM 333 CG LEU A 24 17.292 -5.413 1.675 1.00 51.13 C ATOM 334 CD1 LEU A 24 18.397 -4.642 0.950 1.00 72.24 C ATOM 335 CD2 LEU A 24 17.789 -6.033 2.982 1.00 61.51 C ATOM 0 H LEU A 24 14.739 -2.348 2.427 1.00 40.13 H new ATOM 0 HA LEU A 24 15.971 -4.515 4.024 1.00 65.42 H new ATOM 0 HB2 LEU A 24 15.178 -5.143 1.870 1.00 62.33 H new ATOM 0 HB3 LEU A 24 16.005 -3.800 1.106 1.00 62.33 H new ATOM 0 HG LEU A 24 16.991 -6.233 1.023 1.00 51.13 H new ATOM 0 HD11 LEU A 24 19.252 -5.298 0.788 1.00 72.24 H new ATOM 0 HD12 LEU A 24 18.024 -4.289 -0.011 1.00 72.24 H new ATOM 0 HD13 LEU A 24 18.703 -3.789 1.556 1.00 72.24 H new ATOM 0 HD21 LEU A 24 18.656 -6.661 2.780 1.00 61.51 H new ATOM 0 HD22 LEU A 24 18.069 -5.241 3.677 1.00 61.51 H new ATOM 0 HD23 LEU A 24 16.997 -6.639 3.422 1.00 61.51 H new ATOM 347 N ILE A 25 17.960 -3.291 4.647 1.00 73.50 N ATOM 348 CA ILE A 25 19.193 -2.628 5.036 1.00 33.31 C ATOM 349 C ILE A 25 20.347 -3.631 4.978 1.00 74.24 C ATOM 350 O ILE A 25 20.282 -4.694 5.594 1.00 50.13 O ATOM 351 CB ILE A 25 19.031 -1.955 6.401 1.00 64.33 C ATOM 352 CG1 ILE A 25 17.923 -0.901 6.364 1.00 3.15 C ATOM 353 CG2 ILE A 25 20.361 -1.373 6.886 1.00 72.45 C ATOM 354 CD1 ILE A 25 17.026 -1.005 7.600 1.00 64.44 C ATOM 0 H ILE A 25 17.631 -3.998 5.304 1.00 73.50 H new ATOM 0 HA ILE A 25 19.432 -1.827 4.337 1.00 33.31 H new ATOM 0 HB ILE A 25 18.729 -2.714 7.123 1.00 64.33 H new ATOM 0 HG12 ILE A 25 18.364 0.094 6.313 1.00 3.15 H new ATOM 0 HG13 ILE A 25 17.323 -1.030 5.463 1.00 3.15 H new ATOM 0 HG21 ILE A 25 20.219 -0.900 7.858 1.00 72.45 H new ATOM 0 HG22 ILE A 25 21.097 -2.172 6.975 1.00 72.45 H new ATOM 0 HG23 ILE A 25 20.716 -0.631 6.171 1.00 72.45 H new ATOM 0 HD11 ILE A 25 16.247 -0.245 7.549 1.00 64.44 H new ATOM 0 HD12 ILE A 25 16.567 -1.993 7.635 1.00 64.44 H new ATOM 0 HD13 ILE A 25 17.625 -0.851 8.498 1.00 64.44 H new ATOM 366 N LEU A 26 21.376 -3.258 4.231 1.00 15.01 N ATOM 367 CA LEU A 26 22.542 -4.112 4.084 1.00 2.40 C ATOM 368 C LEU A 26 23.755 -3.424 4.714 1.00 12.34 C ATOM 369 O LEU A 26 24.241 -2.419 4.198 1.00 51.21 O ATOM 370 CB LEU A 26 22.745 -4.493 2.616 1.00 5.13 C ATOM 371 CG LEU A 26 21.474 -4.785 1.817 1.00 40.22 C ATOM 372 CD1 LEU A 26 21.072 -3.578 0.966 1.00 23.41 C ATOM 373 CD2 LEU A 26 21.635 -6.052 0.975 1.00 73.03 C ATOM 0 H LEU A 26 21.426 -2.376 3.721 1.00 15.01 H new ATOM 0 HA LEU A 26 22.396 -5.052 4.616 1.00 2.40 H new ATOM 0 HB2 LEU A 26 23.283 -3.684 2.122 1.00 5.13 H new ATOM 0 HB3 LEU A 26 23.386 -5.373 2.575 1.00 5.13 H new ATOM 0 HG LEU A 26 20.662 -4.967 2.521 1.00 40.22 H new ATOM 0 HD11 LEU A 26 20.165 -3.812 0.408 1.00 23.41 H new ATOM 0 HD12 LEU A 26 20.888 -2.721 1.614 1.00 23.41 H new ATOM 0 HD13 LEU A 26 21.876 -3.340 0.269 1.00 23.41 H new ATOM 0 HD21 LEU A 26 20.717 -6.237 0.417 1.00 73.03 H new ATOM 0 HD22 LEU A 26 22.464 -5.923 0.279 1.00 73.03 H new ATOM 0 HD23 LEU A 26 21.839 -6.900 1.629 1.00 73.03 H new ATOM 385 N ASN A 27 24.208 -3.993 5.822 1.00 43.53 N ATOM 386 CA ASN A 27 25.355 -3.447 6.528 1.00 52.30 C ATOM 387 C ASN A 27 26.594 -4.283 6.203 1.00 42.22 C ATOM 388 O ASN A 27 26.788 -5.357 6.769 1.00 64.41 O ATOM 389 CB ASN A 27 25.140 -3.489 8.042 1.00 1.21 C ATOM 390 CG ASN A 27 24.658 -2.134 8.565 1.00 32.35 C ATOM 391 OD1 ASN A 27 25.254 -1.098 8.323 1.00 50.13 O ATOM 392 ND2 ASN A 27 23.548 -2.200 9.295 1.00 30.42 N ATOM 0 H ASN A 27 23.802 -4.826 6.248 1.00 43.53 H new ATOM 0 HA ASN A 27 25.485 -2.412 6.211 1.00 52.30 H new ATOM 0 HB2 ASN A 27 24.409 -4.259 8.288 1.00 1.21 H new ATOM 0 HB3 ASN A 27 26.071 -3.764 8.538 1.00 1.21 H new ATOM 0 HD21 ASN A 27 23.146 -1.350 9.690 1.00 30.42 H new ATOM 0 HD22 ASN A 27 23.099 -3.101 9.460 1.00 30.42 H new ATOM 399 N GLY A 28 27.401 -3.758 5.292 1.00 54.10 N ATOM 400 CA GLY A 28 28.616 -4.443 4.885 1.00 52.44 C ATOM 401 C GLY A 28 29.801 -3.476 4.841 1.00 61.25 C ATOM 402 O GLY A 28 29.620 -2.274 4.654 1.00 12.15 O ATOM 0 H GLY A 28 27.237 -2.866 4.825 1.00 54.10 H new ATOM 0 HA2 GLY A 28 28.830 -5.255 5.580 1.00 52.44 H new ATOM 0 HA3 GLY A 28 28.473 -4.893 3.903 1.00 52.44 H new ATOM 406 N LYS A 29 30.988 -4.038 5.015 1.00 43.13 N ATOM 407 CA LYS A 29 32.203 -3.241 4.997 1.00 2.01 C ATOM 408 C LYS A 29 32.495 -2.795 3.563 1.00 72.22 C ATOM 409 O LYS A 29 32.969 -1.683 3.339 1.00 2.41 O ATOM 410 CB LYS A 29 33.356 -4.007 5.650 1.00 51.25 C ATOM 411 CG LYS A 29 32.913 -4.646 6.967 1.00 21.31 C ATOM 412 CD LYS A 29 32.356 -3.593 7.928 1.00 65.53 C ATOM 413 CE LYS A 29 30.833 -3.695 8.030 1.00 24.41 C ATOM 414 NZ LYS A 29 30.193 -2.500 7.438 1.00 11.41 N ATOM 0 H LYS A 29 31.134 -5.036 5.169 1.00 43.13 H new ATOM 0 HA LYS A 29 32.074 -2.337 5.592 1.00 2.01 H new ATOM 0 HB2 LYS A 29 33.716 -4.779 4.970 1.00 51.25 H new ATOM 0 HB3 LYS A 29 34.190 -3.330 5.833 1.00 51.25 H new ATOM 0 HG2 LYS A 29 32.153 -5.402 6.771 1.00 21.31 H new ATOM 0 HG3 LYS A 29 33.758 -5.156 7.430 1.00 21.31 H new ATOM 0 HD2 LYS A 29 32.800 -3.725 8.915 1.00 65.53 H new ATOM 0 HD3 LYS A 29 32.635 -2.597 7.584 1.00 65.53 H new ATOM 0 HE2 LYS A 29 30.487 -4.592 7.516 1.00 24.41 H new ATOM 0 HE3 LYS A 29 30.538 -3.793 9.075 1.00 24.41 H new ATOM 0 HZ1 LYS A 29 29.243 -2.749 7.096 1.00 11.41 H new ATOM 0 HZ2 LYS A 29 30.118 -1.754 8.158 1.00 11.41 H new ATOM 0 HZ3 LYS A 29 30.768 -2.156 6.643 1.00 11.41 H new ATOM 427 N THR A 30 32.199 -3.687 2.628 1.00 11.44 N ATOM 428 CA THR A 30 32.423 -3.399 1.222 1.00 64.01 C ATOM 429 C THR A 30 31.106 -3.034 0.535 1.00 32.23 C ATOM 430 O THR A 30 31.103 -2.355 -0.490 1.00 43.12 O ATOM 431 CB THR A 30 33.119 -4.610 0.597 1.00 44.20 C ATOM 432 OG1 THR A 30 33.592 -4.129 -0.658 1.00 51.04 O ATOM 433 CG2 THR A 30 32.137 -5.722 0.224 1.00 10.01 C ATOM 0 H THR A 30 31.806 -4.609 2.817 1.00 11.44 H new ATOM 0 HA THR A 30 33.070 -2.531 1.095 1.00 64.01 H new ATOM 0 HB THR A 30 33.862 -5.000 1.293 1.00 44.20 H new ATOM 0 HG1 THR A 30 34.058 -4.850 -1.130 1.00 51.04 H new ATOM 0 HG21 THR A 30 32.683 -6.557 -0.215 1.00 10.01 H new ATOM 0 HG22 THR A 30 31.614 -6.061 1.118 1.00 10.01 H new ATOM 0 HG23 THR A 30 31.414 -5.342 -0.497 1.00 10.01 H new ATOM 441 N LEU A 31 30.017 -3.502 1.128 1.00 2.34 N ATOM 442 CA LEU A 31 28.696 -3.233 0.587 1.00 71.22 C ATOM 443 C LEU A 31 27.785 -2.725 1.706 1.00 54.55 C ATOM 444 O LEU A 31 27.321 -3.504 2.537 1.00 65.24 O ATOM 445 CB LEU A 31 28.152 -4.467 -0.136 1.00 62.21 C ATOM 446 CG LEU A 31 27.319 -4.197 -1.391 1.00 1.13 C ATOM 447 CD1 LEU A 31 26.597 -2.852 -1.290 1.00 33.12 C ATOM 448 CD2 LEU A 31 28.180 -4.292 -2.652 1.00 4.43 C ATOM 0 H LEU A 31 30.023 -4.066 1.978 1.00 2.34 H new ATOM 0 HA LEU A 31 28.746 -2.446 -0.166 1.00 71.22 H new ATOM 0 HB2 LEU A 31 28.994 -5.102 -0.413 1.00 62.21 H new ATOM 0 HB3 LEU A 31 27.541 -5.035 0.566 1.00 62.21 H new ATOM 0 HG LEU A 31 26.553 -4.969 -1.466 1.00 1.13 H new ATOM 0 HD11 LEU A 31 26.012 -2.684 -2.194 1.00 33.12 H new ATOM 0 HD12 LEU A 31 25.934 -2.859 -0.425 1.00 33.12 H new ATOM 0 HD13 LEU A 31 27.330 -2.053 -1.178 1.00 33.12 H new ATOM 0 HD21 LEU A 31 27.563 -4.096 -3.529 1.00 4.43 H new ATOM 0 HD22 LEU A 31 28.983 -3.556 -2.601 1.00 4.43 H new ATOM 0 HD23 LEU A 31 28.608 -5.292 -2.726 1.00 4.43 H new ATOM 460 N LYS A 32 27.554 -1.420 1.691 1.00 44.24 N ATOM 461 CA LYS A 32 26.707 -0.798 2.694 1.00 53.14 C ATOM 462 C LYS A 32 25.733 0.162 2.008 1.00 74.04 C ATOM 463 O LYS A 32 26.151 1.072 1.293 1.00 23.35 O ATOM 464 CB LYS A 32 27.558 -0.138 3.780 1.00 41.30 C ATOM 465 CG LYS A 32 28.879 0.377 3.204 1.00 22.53 C ATOM 466 CD LYS A 32 29.800 0.887 4.315 1.00 75.10 C ATOM 467 CE LYS A 32 29.712 2.409 4.443 1.00 31.15 C ATOM 468 NZ LYS A 32 30.907 2.940 5.136 1.00 1.22 N ATOM 0 H LYS A 32 27.939 -0.776 1.000 1.00 44.24 H new ATOM 0 HA LYS A 32 26.107 -1.551 3.206 1.00 53.14 H new ATOM 0 HB2 LYS A 32 27.006 0.688 4.228 1.00 41.30 H new ATOM 0 HB3 LYS A 32 27.759 -0.855 4.576 1.00 41.30 H new ATOM 0 HG2 LYS A 32 29.376 -0.422 2.653 1.00 22.53 H new ATOM 0 HG3 LYS A 32 28.682 1.180 2.493 1.00 22.53 H new ATOM 0 HD2 LYS A 32 29.526 0.422 5.262 1.00 75.10 H new ATOM 0 HD3 LYS A 32 30.828 0.595 4.103 1.00 75.10 H new ATOM 0 HE2 LYS A 32 29.628 2.859 3.454 1.00 31.15 H new ATOM 0 HE3 LYS A 32 28.813 2.682 4.995 1.00 31.15 H new ATOM 0 HZ1 LYS A 32 30.832 3.974 5.215 1.00 1.22 H new ATOM 0 HZ2 LYS A 32 30.970 2.524 6.087 1.00 1.22 H new ATOM 0 HZ3 LYS A 32 31.760 2.695 4.594 1.00 1.22 H new ATOM 481 N GLY A 33 24.451 -0.074 2.249 1.00 43.34 N ATOM 482 CA GLY A 33 23.414 0.759 1.663 1.00 21.40 C ATOM 483 C GLY A 33 22.037 0.389 2.217 1.00 14.43 C ATOM 484 O GLY A 33 21.927 -0.453 3.106 1.00 31.35 O ATOM 0 H GLY A 33 24.107 -0.830 2.842 1.00 43.34 H new ATOM 0 HA2 GLY A 33 23.624 1.808 1.871 1.00 21.40 H new ATOM 0 HA3 GLY A 33 23.418 0.642 0.579 1.00 21.40 H new ATOM 488 N GLU A 34 21.020 1.038 1.669 1.00 41.51 N ATOM 489 CA GLU A 34 19.654 0.789 2.097 1.00 22.03 C ATOM 490 C GLU A 34 18.725 0.705 0.885 1.00 34.10 C ATOM 491 O GLU A 34 19.121 1.041 -0.230 1.00 32.01 O ATOM 492 CB GLU A 34 19.182 1.865 3.077 1.00 73.10 C ATOM 493 CG GLU A 34 19.662 1.562 4.498 1.00 42.13 C ATOM 494 CD GLU A 34 18.849 2.345 5.530 1.00 15.02 C ATOM 495 OE1 GLU A 34 19.392 2.755 6.566 1.00 4.42 O ATOM 496 OE2 GLU A 34 17.608 2.524 5.225 1.00 31.51 O ATOM 0 H GLU A 34 21.115 1.736 0.932 1.00 41.51 H new ATOM 0 HA GLU A 34 19.626 -0.168 2.618 1.00 22.03 H new ATOM 0 HB2 GLU A 34 19.558 2.839 2.762 1.00 73.10 H new ATOM 0 HB3 GLU A 34 18.094 1.923 3.062 1.00 73.10 H new ATOM 0 HG2 GLU A 34 19.574 0.494 4.695 1.00 42.13 H new ATOM 0 HG3 GLU A 34 20.717 1.818 4.591 1.00 42.13 H new ATOM 504 N THR A 35 17.506 0.255 1.144 1.00 31.51 N ATOM 505 CA THR A 35 16.517 0.122 0.088 1.00 53.10 C ATOM 506 C THR A 35 15.195 -0.396 0.657 1.00 33.15 C ATOM 507 O THR A 35 15.111 -0.726 1.839 1.00 34.14 O ATOM 508 CB THR A 35 17.104 -0.779 -1.000 1.00 4.01 C ATOM 509 OG1 THR A 35 15.970 -1.200 -1.752 1.00 71.41 O ATOM 510 CG2 THR A 35 17.681 -2.079 -0.435 1.00 51.03 C ATOM 0 H THR A 35 17.181 -0.022 2.070 1.00 31.51 H new ATOM 0 HA THR A 35 16.286 1.088 -0.360 1.00 53.10 H new ATOM 0 HB THR A 35 17.884 -0.239 -1.537 1.00 4.01 H new ATOM 0 HG1 THR A 35 16.269 -1.655 -2.567 1.00 71.41 H new ATOM 0 HG21 THR A 35 18.085 -2.682 -1.249 1.00 51.03 H new ATOM 0 HG22 THR A 35 18.476 -1.847 0.273 1.00 51.03 H new ATOM 0 HG23 THR A 35 16.894 -2.636 0.073 1.00 51.03 H new ATOM 518 N THR A 36 14.195 -0.451 -0.210 1.00 32.30 N ATOM 519 CA THR A 36 12.881 -0.924 0.192 1.00 53.33 C ATOM 520 C THR A 36 12.205 -1.666 -0.963 1.00 30.12 C ATOM 521 O THR A 36 12.527 -1.435 -2.127 1.00 62.32 O ATOM 522 CB THR A 36 12.079 0.279 0.693 1.00 72.00 C ATOM 523 OG1 THR A 36 11.670 0.945 -0.499 1.00 23.12 O ATOM 524 CG2 THR A 36 12.954 1.307 1.413 1.00 13.11 C ATOM 0 H THR A 36 14.268 -0.176 -1.189 1.00 32.30 H new ATOM 0 HA THR A 36 12.952 -1.647 1.004 1.00 53.33 H new ATOM 0 HB THR A 36 11.293 -0.064 1.366 1.00 72.00 H new ATOM 0 HG1 THR A 36 11.142 1.737 -0.266 1.00 23.12 H new ATOM 0 HG21 THR A 36 12.336 2.140 1.748 1.00 13.11 H new ATOM 0 HG22 THR A 36 13.431 0.839 2.274 1.00 13.11 H new ATOM 0 HG23 THR A 36 13.720 1.675 0.730 1.00 13.11 H new ATOM 532 N THR A 37 11.280 -2.543 -0.600 1.00 1.42 N ATOM 533 CA THR A 37 10.556 -3.320 -1.591 1.00 21.42 C ATOM 534 C THR A 37 9.123 -3.579 -1.122 1.00 71.34 C ATOM 535 O THR A 37 8.858 -3.631 0.078 1.00 70.54 O ATOM 536 CB THR A 37 11.349 -4.601 -1.858 1.00 31.42 C ATOM 537 OG1 THR A 37 10.870 -5.049 -3.123 1.00 14.01 O ATOM 538 CG2 THR A 37 10.976 -5.732 -0.897 1.00 33.02 C ATOM 0 H THR A 37 11.016 -2.732 0.367 1.00 1.42 H new ATOM 0 HA THR A 37 10.464 -2.776 -2.531 1.00 21.42 H new ATOM 0 HB THR A 37 12.415 -4.391 -1.775 1.00 31.42 H new ATOM 0 HG1 THR A 37 11.075 -6.001 -3.232 1.00 14.01 H new ATOM 0 HG21 THR A 37 11.568 -6.617 -1.130 1.00 33.02 H new ATOM 0 HG22 THR A 37 11.178 -5.420 0.128 1.00 33.02 H new ATOM 0 HG23 THR A 37 9.917 -5.965 -1.003 1.00 33.02 H new ATOM 546 N CYS A 38 8.236 -3.735 -2.094 1.00 53.41 N ATOM 547 CA CYS A 38 6.836 -3.987 -1.796 1.00 40.24 C ATOM 548 C CYS A 38 6.503 -5.417 -2.227 1.00 5.22 C ATOM 549 O CYS A 38 6.869 -5.840 -3.323 1.00 14.25 O ATOM 550 CB CYS A 38 5.921 -2.961 -2.469 1.00 21.15 C ATOM 551 SG CYS A 38 5.164 -1.745 -1.329 1.00 45.05 S ATOM 0 H CYS A 38 8.459 -3.692 -3.088 1.00 53.41 H new ATOM 0 HA CYS A 38 6.665 -3.882 -0.725 1.00 40.24 H new ATOM 0 HB2 CYS A 38 6.495 -2.423 -3.223 1.00 21.15 H new ATOM 0 HB3 CYS A 38 5.126 -3.492 -2.992 1.00 21.15 H new ATOM 556 N ALA A 39 5.814 -6.122 -1.342 1.00 3.12 N ATOM 557 CA ALA A 39 5.428 -7.496 -1.616 1.00 44.45 C ATOM 558 C ALA A 39 4.085 -7.787 -0.946 1.00 34.25 C ATOM 559 O ALA A 39 3.690 -7.093 -0.010 1.00 41.52 O ATOM 560 CB ALA A 39 6.534 -8.441 -1.143 1.00 30.15 C ATOM 0 H ALA A 39 5.513 -5.767 -0.434 1.00 3.12 H new ATOM 0 HA ALA A 39 5.302 -7.653 -2.687 1.00 44.45 H new ATOM 0 HB1 ALA A 39 6.245 -9.472 -1.348 1.00 30.15 H new ATOM 0 HB2 ALA A 39 7.459 -8.212 -1.672 1.00 30.15 H new ATOM 0 HB3 ALA A 39 6.687 -8.314 -0.071 1.00 30.15 H new ATOM 566 N VAL A 40 3.419 -8.816 -1.450 1.00 14.34 N ATOM 567 CA VAL A 40 2.127 -9.208 -0.911 1.00 4.43 C ATOM 568 C VAL A 40 2.337 -9.982 0.392 1.00 61.52 C ATOM 569 O VAL A 40 1.584 -9.810 1.349 1.00 71.21 O ATOM 570 CB VAL A 40 1.342 -10.000 -1.958 1.00 0.01 C ATOM 571 CG1 VAL A 40 1.580 -11.503 -1.800 1.00 61.01 C ATOM 572 CG2 VAL A 40 -0.151 -9.671 -1.889 1.00 5.24 C ATOM 0 H VAL A 40 3.750 -9.390 -2.226 1.00 14.34 H new ATOM 0 HA VAL A 40 1.529 -8.328 -0.673 1.00 4.43 H new ATOM 0 HB VAL A 40 1.705 -9.705 -2.943 1.00 0.01 H new ATOM 0 HG11 VAL A 40 1.010 -12.043 -2.556 1.00 61.01 H new ATOM 0 HG12 VAL A 40 2.641 -11.718 -1.923 1.00 61.01 H new ATOM 0 HG13 VAL A 40 1.258 -11.820 -0.808 1.00 61.01 H new ATOM 0 HG21 VAL A 40 -0.686 -10.247 -2.644 1.00 5.24 H new ATOM 0 HG22 VAL A 40 -0.534 -9.924 -0.900 1.00 5.24 H new ATOM 0 HG23 VAL A 40 -0.298 -8.607 -2.074 1.00 5.24 H new ATOM 582 N ASP A 41 3.364 -10.819 0.386 1.00 21.52 N ATOM 583 CA ASP A 41 3.682 -11.621 1.555 1.00 24.34 C ATOM 584 C ASP A 41 5.173 -11.483 1.873 1.00 72.54 C ATOM 585 O ASP A 41 5.999 -11.395 0.965 1.00 34.04 O ATOM 586 CB ASP A 41 3.387 -13.101 1.305 1.00 23.51 C ATOM 587 CG ASP A 41 1.913 -13.436 1.072 1.00 73.40 C ATOM 588 OD1 ASP A 41 1.570 -14.219 0.173 1.00 31.14 O ATOM 589 OD2 ASP A 41 1.087 -12.849 1.870 1.00 3.43 O ATOM 0 H ASP A 41 3.987 -10.959 -0.410 1.00 21.52 H new ATOM 0 HA ASP A 41 3.069 -11.266 2.384 1.00 24.34 H new ATOM 0 HB2 ASP A 41 3.960 -13.429 0.438 1.00 23.51 H new ATOM 0 HB3 ASP A 41 3.744 -13.676 2.159 1.00 23.51 H new ATOM 595 N ALA A 42 5.472 -11.470 3.163 1.00 14.53 N ATOM 596 CA ALA A 42 6.848 -11.344 3.612 1.00 41.04 C ATOM 597 C ALA A 42 7.678 -12.486 3.022 1.00 30.34 C ATOM 598 O ALA A 42 8.900 -12.384 2.924 1.00 72.11 O ATOM 599 CB ALA A 42 6.887 -11.323 5.141 1.00 62.41 C ATOM 0 H ALA A 42 4.784 -11.545 3.913 1.00 14.53 H new ATOM 0 HA ALA A 42 7.282 -10.407 3.263 1.00 41.04 H new ATOM 0 HB1 ALA A 42 7.919 -11.228 5.477 1.00 62.41 H new ATOM 0 HB2 ALA A 42 6.307 -10.476 5.508 1.00 62.41 H new ATOM 0 HB3 ALA A 42 6.463 -12.249 5.529 1.00 62.41 H new ATOM 605 N ALA A 43 6.981 -13.548 2.646 1.00 60.40 N ATOM 606 CA ALA A 43 7.638 -14.709 2.069 1.00 3.12 C ATOM 607 C ALA A 43 8.219 -14.335 0.704 1.00 0.40 C ATOM 608 O ALA A 43 9.348 -14.703 0.384 1.00 71.14 O ATOM 609 CB ALA A 43 6.644 -15.868 1.982 1.00 74.14 C ATOM 0 H ALA A 43 5.968 -13.629 2.730 1.00 60.40 H new ATOM 0 HA ALA A 43 8.464 -15.035 2.701 1.00 3.12 H new ATOM 0 HB1 ALA A 43 7.137 -16.738 1.549 1.00 74.14 H new ATOM 0 HB2 ALA A 43 6.284 -16.114 2.981 1.00 74.14 H new ATOM 0 HB3 ALA A 43 5.802 -15.578 1.354 1.00 74.14 H new ATOM 615 N THR A 44 7.421 -13.607 -0.064 1.00 31.05 N ATOM 616 CA THR A 44 7.842 -13.179 -1.387 1.00 14.22 C ATOM 617 C THR A 44 8.917 -12.095 -1.280 1.00 75.40 C ATOM 618 O THR A 44 9.907 -12.124 -2.009 1.00 74.23 O ATOM 619 CB THR A 44 6.598 -12.727 -2.155 1.00 70.31 C ATOM 620 OG1 THR A 44 5.911 -13.941 -2.448 1.00 1.12 O ATOM 621 CG2 THR A 44 6.937 -12.150 -3.531 1.00 2.01 C ATOM 0 H THR A 44 6.485 -13.303 0.205 1.00 31.05 H new ATOM 0 HA THR A 44 8.304 -13.997 -1.939 1.00 14.22 H new ATOM 0 HB THR A 44 6.062 -11.980 -1.570 1.00 70.31 H new ATOM 0 HG1 THR A 44 5.090 -13.741 -2.944 1.00 1.12 H new ATOM 0 HG21 THR A 44 6.019 -11.845 -4.034 1.00 2.01 H new ATOM 0 HG22 THR A 44 7.590 -11.286 -3.412 1.00 2.01 H new ATOM 0 HG23 THR A 44 7.443 -12.908 -4.129 1.00 2.01 H new ATOM 629 N ALA A 45 8.685 -11.165 -0.365 1.00 61.33 N ATOM 630 CA ALA A 45 9.621 -10.074 -0.154 1.00 23.45 C ATOM 631 C ALA A 45 10.953 -10.640 0.342 1.00 24.44 C ATOM 632 O ALA A 45 12.017 -10.137 -0.015 1.00 64.20 O ATOM 633 CB ALA A 45 9.017 -9.065 0.824 1.00 15.02 C ATOM 0 H ALA A 45 7.863 -11.145 0.238 1.00 61.33 H new ATOM 0 HA ALA A 45 9.813 -9.547 -1.089 1.00 23.45 H new ATOM 0 HB1 ALA A 45 9.719 -8.247 0.982 1.00 15.02 H new ATOM 0 HB2 ALA A 45 8.088 -8.671 0.413 1.00 15.02 H new ATOM 0 HB3 ALA A 45 8.813 -9.557 1.775 1.00 15.02 H new ATOM 639 N GLU A 46 10.851 -11.679 1.158 1.00 24.42 N ATOM 640 CA GLU A 46 12.035 -12.319 1.707 1.00 70.21 C ATOM 641 C GLU A 46 12.953 -12.794 0.579 1.00 42.53 C ATOM 642 O GLU A 46 14.175 -12.763 0.714 1.00 44.41 O ATOM 643 CB GLU A 46 11.654 -13.480 2.628 1.00 53.20 C ATOM 644 CG GLU A 46 12.887 -14.296 3.021 1.00 72.25 C ATOM 645 CD GLU A 46 12.607 -15.151 4.258 1.00 31.21 C ATOM 646 OE1 GLU A 46 12.870 -14.712 5.387 1.00 23.15 O ATOM 647 OE2 GLU A 46 12.096 -16.311 4.016 1.00 40.44 O ATOM 0 H GLU A 46 9.967 -12.094 1.452 1.00 24.42 H new ATOM 0 HA GLU A 46 12.576 -11.586 2.305 1.00 70.21 H new ATOM 0 HB2 GLU A 46 11.169 -13.094 3.524 1.00 53.20 H new ATOM 0 HB3 GLU A 46 10.932 -14.124 2.127 1.00 53.20 H new ATOM 0 HG2 GLU A 46 13.183 -14.937 2.191 1.00 72.25 H new ATOM 0 HG3 GLU A 46 13.723 -13.625 3.220 1.00 72.25 H new ATOM 655 N LYS A 47 12.329 -13.221 -0.509 1.00 21.41 N ATOM 656 CA LYS A 47 13.075 -13.701 -1.660 1.00 31.52 C ATOM 657 C LYS A 47 13.951 -12.571 -2.202 1.00 42.41 C ATOM 658 O LYS A 47 15.151 -12.752 -2.402 1.00 3.32 O ATOM 659 CB LYS A 47 12.127 -14.298 -2.702 1.00 32.54 C ATOM 660 CG LYS A 47 11.078 -15.195 -2.039 1.00 45.22 C ATOM 661 CD LYS A 47 11.720 -16.107 -0.992 1.00 21.20 C ATOM 662 CE LYS A 47 12.592 -17.175 -1.656 1.00 34.44 C ATOM 663 NZ LYS A 47 14.011 -16.755 -1.664 1.00 54.20 N ATOM 0 H LYS A 47 11.315 -13.245 -0.618 1.00 21.41 H new ATOM 0 HA LYS A 47 13.743 -14.511 -1.369 1.00 31.52 H new ATOM 0 HB2 LYS A 47 11.631 -13.496 -3.250 1.00 32.54 H new ATOM 0 HB3 LYS A 47 12.697 -14.876 -3.429 1.00 32.54 H new ATOM 0 HG2 LYS A 47 10.312 -14.578 -1.569 1.00 45.22 H new ATOM 0 HG3 LYS A 47 10.580 -15.800 -2.797 1.00 45.22 H new ATOM 0 HD2 LYS A 47 12.325 -15.512 -0.308 1.00 21.20 H new ATOM 0 HD3 LYS A 47 10.943 -16.586 -0.396 1.00 21.20 H new ATOM 0 HE2 LYS A 47 12.489 -18.120 -1.122 1.00 34.44 H new ATOM 0 HE3 LYS A 47 12.252 -17.347 -2.677 1.00 34.44 H new ATOM 0 HZ1 LYS A 47 14.617 -17.581 -1.844 1.00 54.20 H new ATOM 0 HZ2 LYS A 47 14.159 -16.047 -2.412 1.00 54.20 H new ATOM 0 HZ3 LYS A 47 14.256 -16.341 -0.742 1.00 54.20 H new ATOM 676 N VAL A 48 13.317 -11.429 -2.425 1.00 2.20 N ATOM 677 CA VAL A 48 14.024 -10.269 -2.940 1.00 41.53 C ATOM 678 C VAL A 48 15.089 -9.836 -1.931 1.00 1.42 C ATOM 679 O VAL A 48 16.214 -9.512 -2.310 1.00 33.03 O ATOM 680 CB VAL A 48 13.029 -9.155 -3.274 1.00 61.21 C ATOM 681 CG1 VAL A 48 13.744 -7.812 -3.438 1.00 35.25 C ATOM 682 CG2 VAL A 48 12.219 -9.501 -4.525 1.00 35.02 C ATOM 0 H VAL A 48 12.321 -11.282 -2.258 1.00 2.20 H new ATOM 0 HA VAL A 48 14.538 -10.517 -3.869 1.00 41.53 H new ATOM 0 HB VAL A 48 12.334 -9.065 -2.439 1.00 61.21 H new ATOM 0 HG11 VAL A 48 13.014 -7.038 -3.675 1.00 35.25 H new ATOM 0 HG12 VAL A 48 14.256 -7.557 -2.510 1.00 35.25 H new ATOM 0 HG13 VAL A 48 14.472 -7.884 -4.246 1.00 35.25 H new ATOM 0 HG21 VAL A 48 11.520 -8.693 -4.740 1.00 35.02 H new ATOM 0 HG22 VAL A 48 12.894 -9.632 -5.371 1.00 35.02 H new ATOM 0 HG23 VAL A 48 11.666 -10.425 -4.356 1.00 35.02 H new ATOM 692 N PHE A 49 14.697 -9.844 -0.665 1.00 41.22 N ATOM 693 CA PHE A 49 15.604 -9.456 0.402 1.00 41.03 C ATOM 694 C PHE A 49 16.832 -10.368 0.436 1.00 42.21 C ATOM 695 O PHE A 49 17.952 -9.900 0.638 1.00 33.02 O ATOM 696 CB PHE A 49 14.837 -9.604 1.717 1.00 72.30 C ATOM 697 CG PHE A 49 15.729 -9.621 2.960 1.00 43.04 C ATOM 698 CD1 PHE A 49 16.834 -8.829 3.014 1.00 14.04 C ATOM 699 CD2 PHE A 49 15.418 -10.428 4.009 1.00 4.25 C ATOM 700 CE1 PHE A 49 17.662 -8.844 4.168 1.00 71.43 C ATOM 701 CE2 PHE A 49 16.247 -10.443 5.163 1.00 73.23 C ATOM 702 CZ PHE A 49 17.351 -9.651 5.218 1.00 71.25 C ATOM 0 H PHE A 49 13.763 -10.113 -0.354 1.00 41.22 H new ATOM 0 HA PHE A 49 15.948 -8.434 0.245 1.00 41.03 H new ATOM 0 HB2 PHE A 49 14.125 -8.783 1.805 1.00 72.30 H new ATOM 0 HB3 PHE A 49 14.258 -10.527 1.686 1.00 72.30 H new ATOM 0 HD1 PHE A 49 17.081 -8.189 2.180 1.00 14.04 H new ATOM 0 HD2 PHE A 49 14.541 -11.057 3.965 1.00 4.25 H new ATOM 0 HE1 PHE A 49 18.539 -8.215 4.212 1.00 71.43 H new ATOM 0 HE2 PHE A 49 16.000 -11.084 5.997 1.00 73.23 H new ATOM 0 HZ PHE A 49 17.981 -9.663 6.095 1.00 71.25 H new ATOM 712 N LYS A 50 16.581 -11.653 0.235 1.00 61.11 N ATOM 713 CA LYS A 50 17.652 -12.635 0.240 1.00 5.31 C ATOM 714 C LYS A 50 18.476 -12.491 -1.041 1.00 70.34 C ATOM 715 O LYS A 50 19.695 -12.657 -1.022 1.00 53.30 O ATOM 716 CB LYS A 50 17.090 -14.041 0.455 1.00 35.02 C ATOM 717 CG LYS A 50 16.245 -14.105 1.730 1.00 45.22 C ATOM 718 CD LYS A 50 17.031 -14.746 2.876 1.00 74.23 C ATOM 719 CE LYS A 50 16.342 -14.497 4.219 1.00 11.10 C ATOM 720 NZ LYS A 50 15.662 -15.725 4.689 1.00 51.34 N ATOM 0 H LYS A 50 15.651 -12.037 0.068 1.00 61.11 H new ATOM 0 HA LYS A 50 18.328 -12.457 1.076 1.00 5.31 H new ATOM 0 HB2 LYS A 50 16.482 -14.329 -0.403 1.00 35.02 H new ATOM 0 HB3 LYS A 50 17.909 -14.758 0.521 1.00 35.02 H new ATOM 0 HG2 LYS A 50 15.933 -13.100 2.015 1.00 45.22 H new ATOM 0 HG3 LYS A 50 15.338 -14.678 1.541 1.00 45.22 H new ATOM 0 HD2 LYS A 50 17.123 -15.818 2.704 1.00 74.23 H new ATOM 0 HD3 LYS A 50 18.042 -14.339 2.901 1.00 74.23 H new ATOM 0 HE2 LYS A 50 17.077 -14.176 4.957 1.00 11.10 H new ATOM 0 HE3 LYS A 50 15.617 -13.689 4.118 1.00 11.10 H new ATOM 0 HZ1 LYS A 50 14.950 -15.475 5.405 1.00 51.34 H new ATOM 0 HZ2 LYS A 50 15.196 -16.193 3.886 1.00 51.34 H new ATOM 0 HZ3 LYS A 50 16.362 -16.371 5.107 1.00 51.34 H new ATOM 733 N GLN A 51 17.777 -12.185 -2.125 1.00 23.14 N ATOM 734 CA GLN A 51 18.429 -12.018 -3.413 1.00 14.53 C ATOM 735 C GLN A 51 19.274 -10.742 -3.418 1.00 61.41 C ATOM 736 O GLN A 51 20.258 -10.649 -4.151 1.00 13.43 O ATOM 737 CB GLN A 51 17.403 -12.000 -4.548 1.00 12.04 C ATOM 738 CG GLN A 51 18.046 -12.408 -5.874 1.00 71.44 C ATOM 739 CD GLN A 51 18.052 -13.930 -6.035 1.00 40.03 C ATOM 740 OE1 GLN A 51 17.069 -14.610 -5.790 1.00 3.05 O ATOM 741 NE2 GLN A 51 19.211 -14.424 -6.461 1.00 21.43 N ATOM 0 H GLN A 51 16.766 -12.049 -2.138 1.00 23.14 H new ATOM 0 HA GLN A 51 19.090 -12.869 -3.578 1.00 14.53 H new ATOM 0 HB2 GLN A 51 16.583 -12.679 -4.313 1.00 12.04 H new ATOM 0 HB3 GLN A 51 16.974 -11.002 -4.640 1.00 12.04 H new ATOM 0 HG2 GLN A 51 17.501 -11.953 -6.701 1.00 71.44 H new ATOM 0 HG3 GLN A 51 19.067 -12.030 -5.919 1.00 71.44 H new ATOM 0 HE21 GLN A 51 19.994 -13.798 -6.647 1.00 21.43 H new ATOM 0 HE22 GLN A 51 19.316 -15.429 -6.601 1.00 21.43 H new ATOM 750 N TYR A 52 18.860 -9.792 -2.593 1.00 30.45 N ATOM 751 CA TYR A 52 19.567 -8.527 -2.493 1.00 1.10 C ATOM 752 C TYR A 52 20.913 -8.705 -1.788 1.00 65.04 C ATOM 753 O TYR A 52 21.949 -8.293 -2.308 1.00 64.23 O ATOM 754 CB TYR A 52 18.679 -7.613 -1.646 1.00 71.13 C ATOM 755 CG TYR A 52 18.561 -6.186 -2.185 1.00 62.24 C ATOM 756 CD1 TYR A 52 19.626 -5.315 -2.071 1.00 70.32 C ATOM 757 CD2 TYR A 52 17.391 -5.770 -2.786 1.00 15.42 C ATOM 758 CE1 TYR A 52 19.515 -3.972 -2.579 1.00 23.34 C ATOM 759 CE2 TYR A 52 17.280 -4.427 -3.293 1.00 51.42 C ATOM 760 CZ TYR A 52 18.348 -3.594 -3.165 1.00 33.24 C ATOM 761 OH TYR A 52 18.243 -2.326 -3.644 1.00 2.32 O ATOM 0 H TYR A 52 18.043 -9.873 -1.987 1.00 30.45 H new ATOM 0 HA TYR A 52 19.763 -8.118 -3.484 1.00 1.10 H new ATOM 0 HB2 TYR A 52 17.682 -8.050 -1.582 1.00 71.13 H new ATOM 0 HB3 TYR A 52 19.077 -7.576 -0.632 1.00 71.13 H new ATOM 0 HD1 TYR A 52 20.542 -5.641 -1.601 1.00 70.32 H new ATOM 0 HD2 TYR A 52 16.558 -6.452 -2.876 1.00 15.42 H new ATOM 0 HE1 TYR A 52 20.340 -3.281 -2.496 1.00 23.34 H new ATOM 0 HE2 TYR A 52 16.369 -4.088 -3.764 1.00 51.42 H new ATOM 0 HH TYR A 52 17.466 -2.264 -4.238 1.00 2.32 H new ATOM 771 N ALA A 53 20.855 -9.319 -0.616 1.00 30.21 N ATOM 772 CA ALA A 53 22.057 -9.557 0.165 1.00 11.12 C ATOM 773 C ALA A 53 23.025 -10.419 -0.647 1.00 24.43 C ATOM 774 O ALA A 53 24.240 -10.247 -0.558 1.00 10.32 O ATOM 775 CB ALA A 53 21.679 -10.203 1.500 1.00 42.13 C ATOM 0 H ALA A 53 19.994 -9.659 -0.188 1.00 30.21 H new ATOM 0 HA ALA A 53 22.562 -8.617 0.389 1.00 11.12 H new ATOM 0 HB1 ALA A 53 22.581 -10.382 2.086 1.00 42.13 H new ATOM 0 HB2 ALA A 53 21.014 -9.538 2.051 1.00 42.13 H new ATOM 0 HB3 ALA A 53 21.173 -11.150 1.315 1.00 42.13 H new ATOM 781 N ASN A 54 22.451 -11.329 -1.420 1.00 23.42 N ATOM 782 CA ASN A 54 23.249 -12.219 -2.247 1.00 35.21 C ATOM 783 C ASN A 54 23.927 -11.409 -3.353 1.00 52.23 C ATOM 784 O ASN A 54 25.095 -11.634 -3.665 1.00 43.31 O ATOM 785 CB ASN A 54 22.374 -13.285 -2.910 1.00 24.40 C ATOM 786 CG ASN A 54 23.140 -14.009 -4.020 1.00 35.54 C ATOM 787 OD1 ASN A 54 24.289 -14.391 -3.870 1.00 33.03 O ATOM 788 ND2 ASN A 54 22.440 -14.177 -5.138 1.00 44.35 N ATOM 0 H ASN A 54 21.443 -11.469 -1.491 1.00 23.42 H new ATOM 0 HA ASN A 54 23.987 -12.704 -1.607 1.00 35.21 H new ATOM 0 HB2 ASN A 54 22.042 -14.005 -2.162 1.00 24.40 H new ATOM 0 HB3 ASN A 54 21.479 -12.820 -3.324 1.00 24.40 H new ATOM 0 HD21 ASN A 54 22.861 -14.651 -5.937 1.00 44.35 H new ATOM 0 HD22 ASN A 54 21.482 -13.832 -5.196 1.00 44.35 H new ATOM 795 N ASP A 55 23.165 -10.483 -3.917 1.00 12.25 N ATOM 796 CA ASP A 55 23.678 -9.638 -4.982 1.00 14.24 C ATOM 797 C ASP A 55 24.851 -8.812 -4.451 1.00 64.12 C ATOM 798 O ASP A 55 25.680 -8.336 -5.225 1.00 62.14 O ATOM 799 CB ASP A 55 22.605 -8.668 -5.480 1.00 74.13 C ATOM 800 CG ASP A 55 22.827 -8.129 -6.895 1.00 1.02 C ATOM 801 OD1 ASP A 55 23.465 -7.083 -7.087 1.00 21.24 O ATOM 802 OD2 ASP A 55 22.307 -8.840 -7.837 1.00 53.22 O ATOM 0 H ASP A 55 22.196 -10.299 -3.656 1.00 12.25 H new ATOM 0 HA ASP A 55 23.991 -10.283 -5.803 1.00 14.24 H new ATOM 0 HB2 ASP A 55 21.638 -9.171 -5.446 1.00 74.13 H new ATOM 0 HB3 ASP A 55 22.550 -7.825 -4.791 1.00 74.13 H new ATOM 808 N ASN A 56 24.885 -8.667 -3.135 1.00 35.44 N ATOM 809 CA ASN A 56 25.943 -7.907 -2.492 1.00 30.44 C ATOM 810 C ASN A 56 27.079 -8.854 -2.100 1.00 62.31 C ATOM 811 O ASN A 56 28.204 -8.416 -1.865 1.00 63.05 O ATOM 812 CB ASN A 56 25.436 -7.225 -1.219 1.00 64.42 C ATOM 813 CG ASN A 56 24.410 -6.140 -1.550 1.00 70.23 C ATOM 814 OD1 ASN A 56 23.611 -6.444 -2.569 1.00 65.12 O flip ATOM 815 ND2 ASN A 56 24.347 -5.096 -0.922 1.00 60.12 N flip ATOM 0 H ASN A 56 24.196 -9.063 -2.496 1.00 35.44 H new ATOM 0 HA ASN A 56 26.288 -7.149 -3.195 1.00 30.44 H new ATOM 0 HB2 ASN A 56 24.986 -7.967 -0.559 1.00 64.42 H new ATOM 0 HB3 ASN A 56 26.275 -6.785 -0.679 1.00 64.42 H new ATOM 0 HD21 ASN A 56 24.991 -4.926 -0.150 1.00 60.12 H new ATOM 0 HD22 ASN A 56 23.650 -4.393 -1.169 1.00 60.12 H new ATOM 822 N GLY A 57 26.746 -10.135 -2.042 1.00 33.22 N ATOM 823 CA GLY A 57 27.724 -11.148 -1.683 1.00 0.22 C ATOM 824 C GLY A 57 28.075 -11.069 -0.196 1.00 14.35 C ATOM 825 O GLY A 57 29.054 -11.667 0.248 1.00 53.22 O ATOM 0 H GLY A 57 25.812 -10.495 -2.238 1.00 33.22 H new ATOM 0 HA2 GLY A 57 27.330 -12.137 -1.915 1.00 0.22 H new ATOM 0 HA3 GLY A 57 28.626 -11.016 -2.281 1.00 0.22 H new ATOM 829 N VAL A 58 27.256 -10.325 0.534 1.00 74.40 N ATOM 830 CA VAL A 58 27.467 -10.160 1.962 1.00 31.31 C ATOM 831 C VAL A 58 26.507 -11.076 2.724 1.00 10.14 C ATOM 832 O VAL A 58 25.315 -11.118 2.425 1.00 15.15 O ATOM 833 CB VAL A 58 27.319 -8.687 2.346 1.00 0.40 C ATOM 834 CG1 VAL A 58 27.426 -8.501 3.861 1.00 71.40 C ATOM 835 CG2 VAL A 58 28.349 -7.823 1.614 1.00 75.40 C ATOM 0 H VAL A 58 26.445 -9.830 0.163 1.00 74.40 H new ATOM 0 HA VAL A 58 28.481 -10.453 2.235 1.00 31.31 H new ATOM 0 HB VAL A 58 26.326 -8.359 2.038 1.00 0.40 H new ATOM 0 HG11 VAL A 58 27.317 -7.445 4.106 1.00 71.40 H new ATOM 0 HG12 VAL A 58 26.639 -9.071 4.354 1.00 71.40 H new ATOM 0 HG13 VAL A 58 28.399 -8.855 4.203 1.00 71.40 H new ATOM 0 HG21 VAL A 58 28.222 -6.780 1.905 1.00 75.40 H new ATOM 0 HG22 VAL A 58 29.354 -8.153 1.877 1.00 75.40 H new ATOM 0 HG23 VAL A 58 28.206 -7.919 0.538 1.00 75.40 H new ATOM 845 N ASP A 59 27.063 -11.787 3.695 1.00 51.44 N ATOM 846 CA ASP A 59 26.271 -12.699 4.502 1.00 1.11 C ATOM 847 C ASP A 59 26.800 -12.692 5.938 1.00 72.42 C ATOM 848 O ASP A 59 28.008 -12.761 6.158 1.00 31.15 O ATOM 849 CB ASP A 59 26.366 -14.130 3.970 1.00 43.03 C ATOM 850 CG ASP A 59 27.779 -14.718 3.944 1.00 53.44 C ATOM 851 OD1 ASP A 59 28.326 -15.110 4.984 1.00 24.24 O ATOM 852 OD2 ASP A 59 28.328 -14.765 2.777 1.00 10.13 O ATOM 0 H ASP A 59 28.052 -11.749 3.940 1.00 51.44 H new ATOM 0 HA ASP A 59 25.233 -12.369 4.464 1.00 1.11 H new ATOM 0 HB2 ASP A 59 25.733 -14.772 4.582 1.00 43.03 H new ATOM 0 HB3 ASP A 59 25.960 -14.153 2.959 1.00 43.03 H new ATOM 858 N GLY A 60 25.869 -12.609 6.877 1.00 71.31 N ATOM 859 CA GLY A 60 26.226 -12.593 8.285 1.00 21.03 C ATOM 860 C GLY A 60 24.996 -12.822 9.166 1.00 52.23 C ATOM 861 O GLY A 60 24.359 -13.871 9.088 1.00 21.41 O ATOM 0 H GLY A 60 24.868 -12.552 6.690 1.00 71.31 H new ATOM 0 HA2 GLY A 60 26.969 -13.365 8.484 1.00 21.03 H new ATOM 0 HA3 GLY A 60 26.685 -11.637 8.537 1.00 21.03 H new ATOM 865 N GLU A 61 24.698 -11.822 9.983 1.00 61.23 N ATOM 866 CA GLU A 61 23.555 -11.901 10.877 1.00 65.22 C ATOM 867 C GLU A 61 22.340 -11.220 10.246 1.00 54.33 C ATOM 868 O GLU A 61 22.356 -10.014 10.002 1.00 22.13 O ATOM 869 CB GLU A 61 23.882 -11.287 12.240 1.00 61.44 C ATOM 870 CG GLU A 61 22.609 -11.055 13.056 1.00 51.24 C ATOM 871 CD GLU A 61 21.878 -12.373 13.319 1.00 52.15 C ATOM 872 OE1 GLU A 61 22.525 -13.411 13.519 1.00 31.42 O ATOM 873 OE2 GLU A 61 20.590 -12.293 13.311 1.00 63.11 O ATOM 0 H GLU A 61 25.228 -10.953 10.045 1.00 61.23 H new ATOM 0 HA GLU A 61 23.315 -12.952 11.037 1.00 65.22 H new ATOM 0 HB2 GLU A 61 24.555 -11.947 12.788 1.00 61.44 H new ATOM 0 HB3 GLU A 61 24.406 -10.342 12.101 1.00 61.44 H new ATOM 0 HG2 GLU A 61 22.862 -10.580 14.004 1.00 51.24 H new ATOM 0 HG3 GLU A 61 21.950 -10.370 12.522 1.00 51.24 H new ATOM 881 N TRP A 62 21.314 -12.021 9.999 1.00 72.11 N ATOM 882 CA TRP A 62 20.092 -11.510 9.401 1.00 60.31 C ATOM 883 C TRP A 62 19.077 -11.281 10.522 1.00 12.14 C ATOM 884 O TRP A 62 18.776 -12.195 11.289 1.00 54.25 O ATOM 885 CB TRP A 62 19.578 -12.455 8.313 1.00 53.11 C ATOM 886 CG TRP A 62 20.530 -12.614 7.126 1.00 30.41 C ATOM 887 CD1 TRP A 62 21.821 -12.974 7.147 1.00 53.15 C ATOM 888 CD2 TRP A 62 20.212 -12.404 5.734 1.00 10.12 C ATOM 889 NE1 TRP A 62 22.356 -13.010 5.875 1.00 72.31 N ATOM 890 CE2 TRP A 62 21.346 -12.653 4.989 1.00 43.22 C ATOM 891 CE3 TRP A 62 19.006 -12.016 5.125 1.00 35.21 C ATOM 892 CZ2 TRP A 62 21.387 -12.541 3.594 1.00 73.32 C ATOM 893 CZ3 TRP A 62 19.062 -11.909 3.730 1.00 25.33 C ATOM 894 CH2 TRP A 62 20.196 -12.156 2.965 1.00 25.24 C ATOM 0 H TRP A 62 21.304 -13.021 10.202 1.00 72.11 H new ATOM 0 HA TRP A 62 20.276 -10.560 8.899 1.00 60.31 H new ATOM 0 HB2 TRP A 62 19.396 -13.435 8.754 1.00 53.11 H new ATOM 0 HB3 TRP A 62 18.619 -12.086 7.949 1.00 53.11 H new ATOM 0 HD1 TRP A 62 22.373 -13.207 8.046 1.00 53.15 H new ATOM 0 HE1 TRP A 62 23.316 -13.254 5.630 1.00 72.31 H new ATOM 0 HE3 TRP A 62 18.107 -11.816 5.689 1.00 35.21 H new ATOM 0 HZ2 TRP A 62 22.288 -12.741 3.033 1.00 73.32 H new ATOM 0 HZ3 TRP A 62 18.161 -11.614 3.212 1.00 25.33 H new ATOM 0 HH2 TRP A 62 20.159 -12.052 1.891 1.00 25.24 H new ATOM 905 N THR A 63 18.577 -10.055 10.583 1.00 21.31 N ATOM 906 CA THR A 63 17.602 -9.694 11.598 1.00 31.21 C ATOM 907 C THR A 63 16.482 -8.850 10.986 1.00 64.34 C ATOM 908 O THR A 63 16.747 -7.908 10.240 1.00 20.32 O ATOM 909 CB THR A 63 18.343 -8.988 12.735 1.00 13.13 C ATOM 910 OG1 THR A 63 17.311 -8.628 13.650 1.00 5.14 O ATOM 911 CG2 THR A 63 18.940 -7.648 12.301 1.00 3.25 C ATOM 0 H THR A 63 18.829 -9.299 9.946 1.00 21.31 H new ATOM 0 HA THR A 63 17.113 -10.577 12.008 1.00 31.21 H new ATOM 0 HB THR A 63 19.137 -9.635 13.109 1.00 13.13 H new ATOM 0 HG1 THR A 63 17.703 -8.166 14.420 1.00 5.14 H new ATOM 0 HG21 THR A 63 19.455 -7.189 13.145 1.00 3.25 H new ATOM 0 HG22 THR A 63 19.649 -7.811 11.489 1.00 3.25 H new ATOM 0 HG23 THR A 63 18.143 -6.988 11.959 1.00 3.25 H new ATOM 919 N TYR A 64 15.255 -9.219 11.323 1.00 42.42 N ATOM 920 CA TYR A 64 14.094 -8.507 10.815 1.00 23.14 C ATOM 921 C TYR A 64 13.140 -8.133 11.952 1.00 64.22 C ATOM 922 O TYR A 64 12.923 -8.923 12.870 1.00 51.35 O ATOM 923 CB TYR A 64 13.385 -9.478 9.869 1.00 3.00 C ATOM 924 CG TYR A 64 11.873 -9.267 9.780 1.00 35.12 C ATOM 925 CD1 TYR A 64 11.031 -9.927 10.653 1.00 64.12 C ATOM 926 CD2 TYR A 64 11.349 -8.417 8.827 1.00 0.13 C ATOM 927 CE1 TYR A 64 9.608 -9.729 10.569 1.00 14.41 C ATOM 928 CE2 TYR A 64 9.925 -8.218 8.744 1.00 62.44 C ATOM 929 CZ TYR A 64 9.125 -8.884 9.619 1.00 72.24 C ATOM 930 OH TYR A 64 7.780 -8.697 9.540 1.00 41.34 O ATOM 0 H TYR A 64 15.039 -10.001 11.941 1.00 42.42 H new ATOM 0 HA TYR A 64 14.396 -7.585 10.318 1.00 23.14 H new ATOM 0 HB2 TYR A 64 13.815 -9.377 8.872 1.00 3.00 H new ATOM 0 HB3 TYR A 64 13.580 -10.498 10.199 1.00 3.00 H new ATOM 0 HD1 TYR A 64 11.440 -10.592 11.399 1.00 64.12 H new ATOM 0 HD2 TYR A 64 12.007 -7.901 8.143 1.00 0.13 H new ATOM 0 HE1 TYR A 64 8.939 -10.240 11.245 1.00 14.41 H new ATOM 0 HE2 TYR A 64 9.502 -7.555 8.004 1.00 62.44 H new ATOM 0 HH TYR A 64 7.321 -9.417 10.021 1.00 41.34 H new ATOM 940 N ASP A 65 12.597 -6.929 11.853 1.00 11.01 N ATOM 941 CA ASP A 65 11.671 -6.441 12.861 1.00 4.33 C ATOM 942 C ASP A 65 10.303 -6.202 12.219 1.00 64.51 C ATOM 943 O ASP A 65 10.131 -5.258 11.450 1.00 72.33 O ATOM 944 CB ASP A 65 12.152 -5.115 13.455 1.00 64.13 C ATOM 945 CG ASP A 65 12.938 -5.239 14.762 1.00 41.03 C ATOM 946 OD1 ASP A 65 12.363 -5.195 15.859 1.00 32.53 O ATOM 947 OD2 ASP A 65 14.212 -5.388 14.620 1.00 13.31 O ATOM 0 H ASP A 65 12.780 -6.277 11.090 1.00 11.01 H new ATOM 0 HA ASP A 65 11.609 -7.189 13.651 1.00 4.33 H new ATOM 0 HB2 ASP A 65 12.778 -4.610 12.719 1.00 64.13 H new ATOM 0 HB3 ASP A 65 11.286 -4.477 13.629 1.00 64.13 H new ATOM 953 N ASP A 66 9.366 -7.075 12.558 1.00 12.24 N ATOM 954 CA ASP A 66 8.018 -6.971 12.024 1.00 24.24 C ATOM 955 C ASP A 66 7.388 -5.659 12.495 1.00 54.04 C ATOM 956 O ASP A 66 6.431 -5.175 11.892 1.00 33.11 O ATOM 957 CB ASP A 66 7.140 -8.122 12.519 1.00 51.10 C ATOM 958 CG ASP A 66 5.841 -8.327 11.736 1.00 4.21 C ATOM 959 OD1 ASP A 66 5.622 -9.385 11.129 1.00 61.34 O ATOM 960 OD2 ASP A 66 5.024 -7.329 11.766 1.00 33.50 O ATOM 0 H ASP A 66 9.513 -7.857 13.196 1.00 12.24 H new ATOM 0 HA ASP A 66 8.082 -7.008 10.936 1.00 24.24 H new ATOM 0 HB2 ASP A 66 7.720 -9.044 12.480 1.00 51.10 H new ATOM 0 HB3 ASP A 66 6.892 -7.946 13.566 1.00 51.10 H new ATOM 966 N ALA A 67 7.949 -5.120 13.567 1.00 64.31 N ATOM 967 CA ALA A 67 7.454 -3.874 14.125 1.00 51.41 C ATOM 968 C ALA A 67 7.535 -2.776 13.062 1.00 72.22 C ATOM 969 O ALA A 67 6.740 -1.837 13.072 1.00 61.41 O ATOM 970 CB ALA A 67 8.250 -3.525 15.384 1.00 64.40 C ATOM 0 H ALA A 67 8.743 -5.524 14.064 1.00 64.31 H new ATOM 0 HA ALA A 67 6.409 -3.974 14.418 1.00 51.41 H new ATOM 0 HB1 ALA A 67 7.878 -2.590 15.802 1.00 64.40 H new ATOM 0 HB2 ALA A 67 8.136 -4.322 16.119 1.00 64.40 H new ATOM 0 HB3 ALA A 67 9.304 -3.414 15.129 1.00 64.40 H new ATOM 976 N THR A 68 8.502 -2.931 12.170 1.00 61.02 N ATOM 977 CA THR A 68 8.697 -1.965 11.102 1.00 1.01 C ATOM 978 C THR A 68 9.000 -2.681 9.784 1.00 2.33 C ATOM 979 O THR A 68 9.433 -2.054 8.818 1.00 13.34 O ATOM 980 CB THR A 68 9.800 -0.997 11.536 1.00 70.33 C ATOM 981 OG1 THR A 68 10.952 -1.824 11.674 1.00 4.21 O ATOM 982 CG2 THR A 68 9.570 -0.440 12.942 1.00 42.32 C ATOM 0 H THR A 68 9.159 -3.711 12.165 1.00 61.02 H new ATOM 0 HA THR A 68 7.791 -1.387 10.920 1.00 1.01 H new ATOM 0 HB THR A 68 9.861 -0.173 10.825 1.00 70.33 H new ATOM 0 HG1 THR A 68 11.716 -1.277 11.952 1.00 4.21 H new ATOM 0 HG21 THR A 68 10.381 0.241 13.201 1.00 42.32 H new ATOM 0 HG22 THR A 68 8.622 0.097 12.970 1.00 42.32 H new ATOM 0 HG23 THR A 68 9.543 -1.261 13.659 1.00 42.32 H new ATOM 990 N LYS A 69 8.761 -3.984 9.787 1.00 4.21 N ATOM 991 CA LYS A 69 9.003 -4.792 8.604 1.00 44.42 C ATOM 992 C LYS A 69 10.300 -4.332 7.934 1.00 12.30 C ATOM 993 O LYS A 69 10.291 -3.915 6.777 1.00 52.41 O ATOM 994 CB LYS A 69 7.787 -4.761 7.676 1.00 42.41 C ATOM 995 CG LYS A 69 6.486 -4.865 8.474 1.00 70.21 C ATOM 996 CD LYS A 69 6.261 -6.294 8.972 1.00 64.44 C ATOM 997 CE LYS A 69 4.819 -6.741 8.723 1.00 23.22 C ATOM 998 NZ LYS A 69 4.616 -8.127 9.202 1.00 64.15 N ATOM 0 H LYS A 69 8.402 -4.500 10.590 1.00 4.21 H new ATOM 0 HA LYS A 69 9.139 -5.838 8.878 1.00 44.42 H new ATOM 0 HB2 LYS A 69 7.790 -3.837 7.097 1.00 42.41 H new ATOM 0 HB3 LYS A 69 7.848 -5.584 6.964 1.00 42.41 H new ATOM 0 HG2 LYS A 69 6.520 -4.182 9.322 1.00 70.21 H new ATOM 0 HG3 LYS A 69 5.647 -4.557 7.850 1.00 70.21 H new ATOM 0 HD2 LYS A 69 6.948 -6.972 8.466 1.00 64.44 H new ATOM 0 HD3 LYS A 69 6.484 -6.351 10.037 1.00 64.44 H new ATOM 0 HE2 LYS A 69 4.130 -6.069 9.234 1.00 23.22 H new ATOM 0 HE3 LYS A 69 4.592 -6.681 7.659 1.00 23.22 H new ATOM 0 HZ1 LYS A 69 4.017 -8.644 8.526 1.00 64.15 H new ATOM 0 HZ2 LYS A 69 5.536 -8.604 9.284 1.00 64.15 H new ATOM 0 HZ3 LYS A 69 4.151 -8.108 10.132 1.00 64.15 H new ATOM 1011 N THR A 70 11.384 -4.423 8.690 1.00 32.42 N ATOM 1012 CA THR A 70 12.685 -4.022 8.184 1.00 4.23 C ATOM 1013 C THR A 70 13.730 -5.099 8.485 1.00 52.30 C ATOM 1014 O THR A 70 13.751 -5.659 9.580 1.00 62.44 O ATOM 1015 CB THR A 70 13.027 -2.658 8.788 1.00 23.33 C ATOM 1016 OG1 THR A 70 12.278 -1.734 8.005 1.00 51.23 O ATOM 1017 CG2 THR A 70 14.484 -2.258 8.544 1.00 31.54 C ATOM 0 H THR A 70 11.388 -4.769 9.650 1.00 32.42 H new ATOM 0 HA THR A 70 12.673 -3.920 7.099 1.00 4.23 H new ATOM 0 HB THR A 70 12.830 -2.676 9.860 1.00 23.33 H new ATOM 0 HG1 THR A 70 11.330 -1.792 8.248 1.00 51.23 H new ATOM 0 HG21 THR A 70 14.674 -1.283 8.993 1.00 31.54 H new ATOM 0 HG22 THR A 70 15.145 -2.999 8.994 1.00 31.54 H new ATOM 0 HG23 THR A 70 14.673 -2.207 7.472 1.00 31.54 H new ATOM 1025 N PHE A 71 14.571 -5.355 7.494 1.00 74.43 N ATOM 1026 CA PHE A 71 15.615 -6.355 7.638 1.00 20.23 C ATOM 1027 C PHE A 71 17.002 -5.711 7.587 1.00 12.30 C ATOM 1028 O PHE A 71 17.233 -4.787 6.808 1.00 34.21 O ATOM 1029 CB PHE A 71 15.472 -7.324 6.463 1.00 23.20 C ATOM 1030 CG PHE A 71 14.063 -7.896 6.296 1.00 61.40 C ATOM 1031 CD1 PHE A 71 13.041 -7.085 5.914 1.00 73.02 C ATOM 1032 CD2 PHE A 71 13.833 -9.216 6.530 1.00 71.23 C ATOM 1033 CE1 PHE A 71 11.733 -7.616 5.759 1.00 51.02 C ATOM 1034 CE2 PHE A 71 12.525 -9.747 6.375 1.00 60.23 C ATOM 1035 CZ PHE A 71 11.503 -8.936 5.993 1.00 54.25 C ATOM 0 H PHE A 71 14.551 -4.887 6.588 1.00 74.43 H new ATOM 0 HA PHE A 71 15.514 -6.862 8.598 1.00 20.23 H new ATOM 0 HB2 PHE A 71 15.755 -6.810 5.545 1.00 23.20 H new ATOM 0 HB3 PHE A 71 16.174 -8.147 6.597 1.00 23.20 H new ATOM 0 HD1 PHE A 71 13.224 -6.037 5.728 1.00 73.02 H new ATOM 0 HD2 PHE A 71 14.645 -9.860 6.834 1.00 71.23 H new ATOM 0 HE1 PHE A 71 10.921 -6.972 5.455 1.00 51.02 H new ATOM 0 HE2 PHE A 71 12.342 -10.795 6.561 1.00 60.23 H new ATOM 0 HZ PHE A 71 10.508 -9.340 5.875 1.00 54.25 H new ATOM 1045 N THR A 72 17.889 -6.223 8.427 1.00 31.41 N ATOM 1046 CA THR A 72 19.247 -5.709 8.487 1.00 34.43 C ATOM 1047 C THR A 72 20.255 -6.858 8.416 1.00 1.33 C ATOM 1048 O THR A 72 20.147 -7.830 9.162 1.00 64.34 O ATOM 1049 CB THR A 72 19.376 -4.864 9.756 1.00 24.31 C ATOM 1050 OG1 THR A 72 18.123 -4.194 9.856 1.00 0.14 O ATOM 1051 CG2 THR A 72 20.394 -3.732 9.604 1.00 54.43 C ATOM 0 H THR A 72 17.694 -6.989 9.072 1.00 31.41 H new ATOM 0 HA THR A 72 19.468 -5.071 7.631 1.00 34.43 H new ATOM 0 HB THR A 72 19.666 -5.503 10.590 1.00 24.31 H new ATOM 0 HG1 THR A 72 18.119 -3.624 10.654 1.00 0.14 H new ATOM 0 HG21 THR A 72 20.447 -3.163 10.532 1.00 54.43 H new ATOM 0 HG22 THR A 72 21.374 -4.152 9.379 1.00 54.43 H new ATOM 0 HG23 THR A 72 20.087 -3.073 8.792 1.00 54.43 H new ATOM 1059 N VAL A 73 21.213 -6.707 7.513 1.00 55.10 N ATOM 1060 CA VAL A 73 22.240 -7.719 7.335 1.00 75.32 C ATOM 1061 C VAL A 73 23.576 -7.179 7.847 1.00 22.35 C ATOM 1062 O VAL A 73 24.087 -6.186 7.332 1.00 22.22 O ATOM 1063 CB VAL A 73 22.294 -8.157 5.870 1.00 61.32 C ATOM 1064 CG1 VAL A 73 23.585 -7.679 5.202 1.00 13.42 C ATOM 1065 CG2 VAL A 73 22.142 -9.675 5.745 1.00 3.43 C ATOM 0 H VAL A 73 21.299 -5.899 6.897 1.00 55.10 H new ATOM 0 HA VAL A 73 22.004 -8.609 7.918 1.00 75.32 H new ATOM 0 HB VAL A 73 21.456 -7.692 5.351 1.00 61.32 H new ATOM 0 HG11 VAL A 73 23.598 -8.004 4.162 1.00 13.42 H new ATOM 0 HG12 VAL A 73 23.635 -6.591 5.243 1.00 13.42 H new ATOM 0 HG13 VAL A 73 24.443 -8.102 5.725 1.00 13.42 H new ATOM 0 HG21 VAL A 73 22.184 -9.960 4.694 1.00 3.43 H new ATOM 0 HG22 VAL A 73 22.950 -10.167 6.287 1.00 3.43 H new ATOM 0 HG23 VAL A 73 21.184 -9.981 6.166 1.00 3.43 H new ATOM 1075 N THR A 74 24.104 -7.857 8.856 1.00 62.21 N ATOM 1076 CA THR A 74 25.372 -7.458 9.444 1.00 75.00 C ATOM 1077 C THR A 74 26.463 -8.473 9.099 1.00 71.13 C ATOM 1078 O THR A 74 26.338 -9.655 9.414 1.00 23.42 O ATOM 1079 CB THR A 74 25.160 -7.282 10.949 1.00 53.21 C ATOM 1080 OG1 THR A 74 23.876 -6.672 11.050 1.00 74.42 O ATOM 1081 CG2 THR A 74 26.111 -6.249 11.557 1.00 30.22 C ATOM 0 H THR A 74 23.677 -8.680 9.281 1.00 62.21 H new ATOM 0 HA THR A 74 25.716 -6.508 9.036 1.00 75.00 H new ATOM 0 HB THR A 74 25.297 -8.241 11.449 1.00 53.21 H new ATOM 0 HG1 THR A 74 23.658 -6.523 11.994 1.00 74.42 H new ATOM 0 HG21 THR A 74 25.919 -6.163 12.626 1.00 30.22 H new ATOM 0 HG22 THR A 74 27.142 -6.566 11.398 1.00 30.22 H new ATOM 0 HG23 THR A 74 25.951 -5.282 11.080 1.00 30.22 H new ATOM 1089 N GLU A 75 27.508 -7.974 8.455 1.00 20.32 N ATOM 1090 CA GLU A 75 28.621 -8.823 8.064 1.00 54.15 C ATOM 1091 C GLU A 75 29.601 -8.983 9.227 1.00 22.10 C ATOM 1092 O GLU A 75 30.494 -8.157 9.409 1.00 0.24 O ATOM 1093 CB GLU A 75 29.326 -8.266 6.825 1.00 14.11 C ATOM 1094 CG GLU A 75 29.884 -9.396 5.957 1.00 10.35 C ATOM 1095 CD GLU A 75 31.192 -9.937 6.538 1.00 63.05 C ATOM 1096 OE1 GLU A 75 32.165 -9.182 6.683 1.00 21.00 O ATOM 1097 OE2 GLU A 75 31.176 -11.190 6.843 1.00 60.33 O ATOM 0 H GLU A 75 27.608 -6.993 8.194 1.00 20.32 H new ATOM 0 HA GLU A 75 28.229 -9.807 7.807 1.00 54.15 H new ATOM 0 HB2 GLU A 75 28.626 -7.667 6.242 1.00 14.11 H new ATOM 0 HB3 GLU A 75 30.136 -7.603 7.130 1.00 14.11 H new ATOM 0 HG2 GLU A 75 29.152 -10.201 5.887 1.00 10.35 H new ATOM 0 HG3 GLU A 75 30.055 -9.031 4.944 1.00 10.35 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.497 -5.163 -13.267 1.00 0.31 LA