USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 836 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 16 ASN : amide:sc= -0.0274 K(o=-1.6,f=-5.2!) USER MOD Set 1.2: A 18 ASN : amide:sc= -1.52 K(o=-1.6,f=-2.4) USER MOD Set 1.3: A 20 CYS SG : rot 10:sc= -2.21! USER MOD Set 1.4: A 53 CYS SG : rot 55:sc= -0.593! USER MOD Set 1.5: A 58 THR OG1 : rot 82:sc= 1.25 USER MOD Set 1.6: A 79 TYR OH : rot -178:sc= 1.47 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.827 K(o=2.4,f=-3.6) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -129:sc= 1.57 (180deg=-0.681!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.133 (180deg=-0.564) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.00043) USER MOD Single : A 7 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 9 SER OG : rot 88:sc= 0.286 USER MOD Single : A 13 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 28 THR OG1 : rot 90:sc= 0.142 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= 0.383 (180deg=0.124) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= 0.772 (180deg=0.373) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0393 X(o=-0.039,f=0.12) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 61:sc= 0.425 USER MOD Single : A 59 SER OG : rot -17:sc= 0.594 USER MOD Single : A 61 THR OG1 : rot 58:sc= -0.399 USER MOD Single : A 64 THR OG1 : rot -56:sc= 0.199 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 127:sc= -0.0173 (180deg=-0.907!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.6!) USER MOD Single : A 88 ASN : amide:sc= -0.0929 K(o=-0.093,f=-0.9) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.572 23.095 4.203 1.00 0.00 N ATOM 2 CA MET A 1 -18.450 23.430 3.286 1.00 52.33 C ATOM 3 C MET A 1 -17.780 22.152 2.762 1.00 31.23 C ATOM 4 O MET A 1 -17.617 21.972 1.550 1.00 65.41 O ATOM 5 CB MET A 1 -17.415 24.334 4.017 1.00 63.43 C ATOM 6 CG MET A 1 -16.234 24.816 3.162 1.00 54.45 C ATOM 7 SD MET A 1 -15.082 25.855 4.096 1.00 64.15 S ATOM 8 CE MET A 1 -16.135 27.217 4.611 1.00 51.44 C ATOM 0 H1 MET A 1 -20.013 23.972 4.547 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.280 22.529 3.693 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.209 22.550 5.011 1.00 0.00 H new ATOM 0 HA MET A 1 -18.848 23.977 2.431 1.00 52.33 H new ATOM 0 HB2 MET A 1 -17.936 25.207 4.410 1.00 63.43 H new ATOM 0 HB3 MET A 1 -17.021 23.786 4.873 1.00 63.43 H new ATOM 0 HG2 MET A 1 -15.700 23.952 2.766 1.00 54.45 H new ATOM 0 HG3 MET A 1 -16.613 25.376 2.307 1.00 54.45 H new ATOM 0 HE1 MET A 1 -15.516 28.071 4.888 1.00 51.44 H new ATOM 0 HE2 MET A 1 -16.794 27.498 3.790 1.00 51.44 H new ATOM 0 HE3 MET A 1 -16.734 26.910 5.468 1.00 51.44 H new ATOM 20 N HIS A 2 -17.388 21.264 3.692 1.00 70.12 N ATOM 21 CA HIS A 2 -16.682 20.020 3.360 1.00 65.12 C ATOM 22 C HIS A 2 -17.694 18.886 3.129 1.00 30.43 C ATOM 23 O HIS A 2 -18.221 18.312 4.088 1.00 65.33 O ATOM 24 CB HIS A 2 -15.679 19.649 4.486 1.00 51.12 C ATOM 25 CG HIS A 2 -14.592 20.667 4.696 1.00 74.45 C ATOM 26 ND1 HIS A 2 -14.721 21.739 5.554 1.00 10.52 N ATOM 27 CD2 HIS A 2 -13.361 20.781 4.148 1.00 75.13 C ATOM 28 CE1 HIS A 2 -13.630 22.464 5.513 1.00 33.03 C ATOM 29 NE2 HIS A 2 -12.787 21.907 4.669 1.00 52.33 N ATOM 0 H HIS A 2 -17.552 21.390 4.691 1.00 70.12 H new ATOM 0 HA HIS A 2 -16.116 20.169 2.441 1.00 65.12 H new ATOM 0 HB2 HIS A 2 -16.227 19.520 5.419 1.00 51.12 H new ATOM 0 HB3 HIS A 2 -15.222 18.688 4.250 1.00 51.12 H new ATOM 0 HD2 HIS A 2 -12.914 20.107 3.432 1.00 75.13 H new ATOM 0 HE1 HIS A 2 -13.452 23.367 6.077 1.00 33.03 H new ATOM 0 HE2 HIS A 2 -11.857 22.258 4.441 1.00 52.33 H new ATOM 38 N HIS A 3 -17.992 18.606 1.847 1.00 1.42 N ATOM 39 CA HIS A 3 -18.858 17.481 1.435 1.00 73.02 C ATOM 40 C HIS A 3 -18.011 16.197 1.437 1.00 12.24 C ATOM 41 O HIS A 3 -17.619 15.672 0.381 1.00 43.32 O ATOM 42 CB HIS A 3 -19.489 17.751 0.038 1.00 32.44 C ATOM 43 CG HIS A 3 -20.308 19.014 -0.033 1.00 72.05 C ATOM 44 ND1 HIS A 3 -21.685 19.024 -0.075 1.00 54.12 N ATOM 45 CD2 HIS A 3 -19.931 20.313 -0.092 1.00 2.44 C ATOM 46 CE1 HIS A 3 -22.110 20.265 -0.155 1.00 33.43 C ATOM 47 NE2 HIS A 3 -21.065 21.068 -0.169 1.00 63.24 N ATOM 0 H HIS A 3 -17.639 19.155 1.063 1.00 1.42 H new ATOM 0 HA HIS A 3 -19.686 17.368 2.135 1.00 73.02 H new ATOM 0 HB2 HIS A 3 -18.693 17.805 -0.704 1.00 32.44 H new ATOM 0 HB3 HIS A 3 -20.121 16.905 -0.233 1.00 32.44 H new ATOM 0 HD2 HIS A 3 -18.917 20.684 -0.080 1.00 2.44 H new ATOM 0 HE1 HIS A 3 -23.143 20.575 -0.202 1.00 33.43 H new ATOM 0 HE2 HIS A 3 -21.098 22.086 -0.228 1.00 63.24 H new ATOM 56 N HIS A 4 -17.679 15.745 2.654 1.00 70.10 N ATOM 57 CA HIS A 4 -16.790 14.606 2.882 1.00 14.40 C ATOM 58 C HIS A 4 -17.593 13.303 2.781 1.00 64.32 C ATOM 59 O HIS A 4 -18.515 13.071 3.570 1.00 74.13 O ATOM 60 CB HIS A 4 -16.097 14.742 4.262 1.00 55.14 C ATOM 61 CG HIS A 4 -15.117 13.647 4.566 1.00 51.14 C ATOM 62 ND1 HIS A 4 -13.808 13.671 4.138 1.00 32.15 N ATOM 63 CD2 HIS A 4 -15.269 12.487 5.244 1.00 73.11 C ATOM 64 CE1 HIS A 4 -13.202 12.575 4.538 1.00 43.30 C ATOM 65 NE2 HIS A 4 -14.071 11.844 5.210 1.00 74.24 N ATOM 0 H HIS A 4 -18.026 16.167 3.515 1.00 70.10 H new ATOM 0 HA HIS A 4 -16.010 14.587 2.120 1.00 14.40 H new ATOM 0 HB2 HIS A 4 -15.579 15.700 4.304 1.00 55.14 H new ATOM 0 HB3 HIS A 4 -16.860 14.758 5.040 1.00 55.14 H new ATOM 0 HD2 HIS A 4 -16.172 12.137 5.722 1.00 73.11 H new ATOM 0 HE1 HIS A 4 -12.170 12.317 4.349 1.00 43.30 H new ATOM 0 HE2 HIS A 4 -13.875 10.939 5.637 1.00 74.24 H new ATOM 74 N HIS A 5 -17.213 12.462 1.812 1.00 71.15 N ATOM 75 CA HIS A 5 -17.905 11.198 1.514 1.00 32.23 C ATOM 76 C HIS A 5 -17.508 10.108 2.525 1.00 14.10 C ATOM 77 O HIS A 5 -16.559 10.273 3.308 1.00 12.50 O ATOM 78 CB HIS A 5 -17.583 10.753 0.062 1.00 12.10 C ATOM 79 CG HIS A 5 -17.994 11.762 -0.978 1.00 51.44 C ATOM 80 ND1 HIS A 5 -17.134 12.709 -1.495 1.00 35.03 N ATOM 81 CD2 HIS A 5 -19.184 11.978 -1.585 1.00 60.53 C ATOM 82 CE1 HIS A 5 -17.780 13.458 -2.364 1.00 34.21 C ATOM 83 NE2 HIS A 5 -19.024 13.036 -2.436 1.00 31.21 N ATOM 0 H HIS A 5 -16.411 12.639 1.207 1.00 71.15 H new ATOM 0 HA HIS A 5 -18.980 11.354 1.601 1.00 32.23 H new ATOM 0 HB2 HIS A 5 -16.512 10.569 -0.025 1.00 12.10 H new ATOM 0 HB3 HIS A 5 -18.087 9.808 -0.141 1.00 12.10 H new ATOM 0 HD2 HIS A 5 -20.093 11.417 -1.426 1.00 60.53 H new ATOM 0 HE1 HIS A 5 -17.359 14.280 -2.924 1.00 34.21 H new ATOM 0 HE2 HIS A 5 -19.751 13.434 -3.030 1.00 31.21 H new ATOM 92 N HIS A 6 -18.263 9.005 2.505 1.00 33.40 N ATOM 93 CA HIS A 6 -18.050 7.868 3.411 1.00 12.23 C ATOM 94 C HIS A 6 -16.799 7.100 2.956 1.00 52.43 C ATOM 95 O HIS A 6 -16.847 6.401 1.939 1.00 51.11 O ATOM 96 CB HIS A 6 -19.295 6.921 3.425 1.00 13.20 C ATOM 97 CG HIS A 6 -20.604 7.564 3.828 1.00 52.53 C ATOM 98 ND1 HIS A 6 -21.756 6.837 4.049 1.00 75.41 N ATOM 99 CD2 HIS A 6 -20.954 8.866 4.020 1.00 5.21 C ATOM 100 CE1 HIS A 6 -22.742 7.656 4.350 1.00 4.22 C ATOM 101 NE2 HIS A 6 -22.280 8.890 4.339 1.00 64.41 N ATOM 0 H HIS A 6 -19.041 8.874 1.859 1.00 33.40 H new ATOM 0 HA HIS A 6 -17.908 8.240 4.426 1.00 12.23 H new ATOM 0 HB2 HIS A 6 -19.413 6.492 2.430 1.00 13.20 H new ATOM 0 HB3 HIS A 6 -19.092 6.095 4.106 1.00 13.20 H new ATOM 0 HD2 HIS A 6 -20.301 9.722 3.935 1.00 5.21 H new ATOM 0 HE1 HIS A 6 -23.759 7.365 4.569 1.00 4.22 H new ATOM 0 HE2 HIS A 6 -22.826 9.728 4.537 1.00 64.41 H new ATOM 110 N HIS A 7 -15.673 7.279 3.682 1.00 65.54 N ATOM 111 CA HIS A 7 -14.404 6.588 3.359 1.00 34.31 C ATOM 112 C HIS A 7 -14.563 5.066 3.566 1.00 23.22 C ATOM 113 O HIS A 7 -13.982 4.263 2.828 1.00 0.00 O ATOM 114 CB HIS A 7 -13.213 7.154 4.195 1.00 24.44 C ATOM 115 CG HIS A 7 -13.085 6.626 5.610 1.00 40.23 C ATOM 116 ND1 HIS A 7 -13.770 7.156 6.680 1.00 65.32 N ATOM 117 CD2 HIS A 7 -12.341 5.615 6.113 1.00 62.32 C ATOM 118 CE1 HIS A 7 -13.466 6.480 7.768 1.00 11.32 C ATOM 119 NE2 HIS A 7 -12.598 5.540 7.451 1.00 12.11 N ATOM 0 H HIS A 7 -15.617 7.894 4.493 1.00 65.54 H new ATOM 0 HA HIS A 7 -14.171 6.773 2.310 1.00 34.31 H new ATOM 0 HB2 HIS A 7 -12.287 6.939 3.663 1.00 24.44 H new ATOM 0 HB3 HIS A 7 -13.310 8.239 4.240 1.00 24.44 H new ATOM 0 HD2 HIS A 7 -11.666 4.982 5.557 1.00 62.32 H new ATOM 0 HE1 HIS A 7 -13.862 6.665 8.756 1.00 11.32 H new ATOM 0 HE2 HIS A 7 -12.187 4.868 8.099 1.00 12.11 H new ATOM 128 N ARG A 8 -15.372 4.707 4.585 1.00 71.32 N ATOM 129 CA ARG A 8 -15.748 3.324 4.872 1.00 21.01 C ATOM 130 C ARG A 8 -16.795 2.871 3.838 1.00 20.34 C ATOM 131 O ARG A 8 -17.980 3.209 3.944 1.00 12.13 O ATOM 132 CB ARG A 8 -16.306 3.197 6.314 1.00 74.34 C ATOM 133 CG ARG A 8 -16.703 1.756 6.710 1.00 23.51 C ATOM 134 CD ARG A 8 -17.241 1.656 8.143 1.00 2.12 C ATOM 135 NE ARG A 8 -17.629 0.273 8.485 1.00 25.12 N ATOM 136 CZ ARG A 8 -17.529 -0.284 9.704 1.00 72.12 C ATOM 137 NH1 ARG A 8 -17.032 0.401 10.733 1.00 23.04 N ATOM 138 NH2 ARG A 8 -17.928 -1.529 9.894 1.00 31.42 N ATOM 0 H ARG A 8 -15.781 5.381 5.232 1.00 71.32 H new ATOM 0 HA ARG A 8 -14.869 2.683 4.803 1.00 21.01 H new ATOM 0 HB2 ARG A 8 -15.557 3.562 7.016 1.00 74.34 H new ATOM 0 HB3 ARG A 8 -17.178 3.843 6.413 1.00 74.34 H new ATOM 0 HG2 ARG A 8 -17.460 1.390 6.017 1.00 23.51 H new ATOM 0 HG3 ARG A 8 -15.835 1.104 6.607 1.00 23.51 H new ATOM 0 HD2 ARG A 8 -16.481 2.004 8.842 1.00 2.12 H new ATOM 0 HD3 ARG A 8 -18.103 2.314 8.255 1.00 2.12 H new ATOM 0 HE ARG A 8 -18.004 -0.307 7.734 1.00 25.12 H new ATOM 0 HH11 ARG A 8 -16.720 1.363 10.602 1.00 23.04 H new ATOM 0 HH12 ARG A 8 -16.963 -0.037 11.652 1.00 23.04 H new ATOM 0 HH21 ARG A 8 -18.311 -2.066 9.116 1.00 31.42 H new ATOM 0 HH22 ARG A 8 -17.853 -1.953 10.819 1.00 31.42 H new ATOM 152 N SER A 9 -16.311 2.201 2.793 1.00 52.53 N ATOM 153 CA SER A 9 -17.131 1.638 1.707 1.00 25.52 C ATOM 154 C SER A 9 -16.569 0.260 1.332 1.00 44.23 C ATOM 155 O SER A 9 -15.534 -0.140 1.861 1.00 3.24 O ATOM 156 CB SER A 9 -17.118 2.602 0.491 1.00 52.32 C ATOM 157 OG SER A 9 -17.632 3.870 0.849 1.00 54.24 O ATOM 0 H SER A 9 -15.313 2.027 2.670 1.00 52.53 H new ATOM 0 HA SER A 9 -18.166 1.521 2.030 1.00 25.52 H new ATOM 0 HB2 SER A 9 -16.100 2.710 0.118 1.00 52.32 H new ATOM 0 HB3 SER A 9 -17.712 2.180 -0.320 1.00 52.32 H new ATOM 0 HG SER A 9 -16.906 4.433 1.190 1.00 54.24 H new ATOM 163 N GLY A 10 -17.262 -0.463 0.438 1.00 52.33 N ATOM 164 CA GLY A 10 -16.793 -1.776 -0.038 1.00 41.21 C ATOM 165 C GLY A 10 -15.467 -1.704 -0.804 1.00 2.14 C ATOM 166 O GLY A 10 -14.718 -2.687 -0.856 1.00 71.14 O ATOM 0 H GLY A 10 -18.147 -0.162 0.030 1.00 52.33 H new ATOM 0 HA2 GLY A 10 -16.676 -2.444 0.816 1.00 41.21 H new ATOM 0 HA3 GLY A 10 -17.554 -2.214 -0.683 1.00 41.21 H new ATOM 170 N ASP A 11 -15.179 -0.516 -1.368 1.00 71.52 N ATOM 171 CA ASP A 11 -13.974 -0.256 -2.183 1.00 2.22 C ATOM 172 C ASP A 11 -12.718 -0.103 -1.319 1.00 41.42 C ATOM 173 O ASP A 11 -12.791 0.160 -0.110 1.00 24.02 O ATOM 174 CB ASP A 11 -14.166 1.023 -3.035 1.00 61.53 C ATOM 175 CG ASP A 11 -15.307 0.886 -4.049 1.00 30.02 C ATOM 176 OD1 ASP A 11 -15.128 0.184 -5.068 1.00 21.13 O ATOM 177 OD2 ASP A 11 -16.392 1.481 -3.847 1.00 41.32 O ATOM 0 H ASP A 11 -15.782 0.301 -1.270 1.00 71.52 H new ATOM 0 HA ASP A 11 -13.836 -1.119 -2.834 1.00 2.22 H new ATOM 0 HB2 ASP A 11 -14.369 1.868 -2.376 1.00 61.53 H new ATOM 0 HB3 ASP A 11 -13.239 1.246 -3.563 1.00 61.53 H new ATOM 182 N ILE A 12 -11.574 -0.264 -1.982 1.00 71.04 N ATOM 183 CA ILE A 12 -10.243 -0.113 -1.387 1.00 60.15 C ATOM 184 C ILE A 12 -9.773 1.343 -1.559 1.00 32.00 C ATOM 185 O ILE A 12 -9.450 1.771 -2.679 1.00 35.54 O ATOM 186 CB ILE A 12 -9.212 -1.073 -2.089 1.00 2.44 C ATOM 187 CG1 ILE A 12 -9.739 -2.543 -2.118 1.00 50.54 C ATOM 188 CG2 ILE A 12 -7.822 -0.991 -1.425 1.00 43.01 C ATOM 189 CD1 ILE A 12 -8.964 -3.479 -3.040 1.00 65.13 C ATOM 0 H ILE A 12 -11.544 -0.509 -2.972 1.00 71.04 H new ATOM 0 HA ILE A 12 -10.300 -0.369 -0.329 1.00 60.15 H new ATOM 0 HB ILE A 12 -9.102 -0.739 -3.121 1.00 2.44 H new ATOM 0 HG12 ILE A 12 -9.709 -2.945 -1.105 1.00 50.54 H new ATOM 0 HG13 ILE A 12 -10.784 -2.534 -2.427 1.00 50.54 H new ATOM 0 HG21 ILE A 12 -7.135 -1.667 -1.935 1.00 43.01 H new ATOM 0 HG22 ILE A 12 -7.445 0.030 -1.494 1.00 43.01 H new ATOM 0 HG23 ILE A 12 -7.902 -1.278 -0.377 1.00 43.01 H new ATOM 0 HD11 ILE A 12 -9.400 -4.477 -2.996 1.00 65.13 H new ATOM 0 HD12 ILE A 12 -9.014 -3.106 -4.063 1.00 65.13 H new ATOM 0 HD13 ILE A 12 -7.923 -3.524 -2.721 1.00 65.13 H new ATOM 201 N GLN A 13 -9.769 2.097 -0.458 1.00 0.22 N ATOM 202 CA GLN A 13 -9.234 3.461 -0.432 1.00 13.42 C ATOM 203 C GLN A 13 -7.716 3.403 -0.167 1.00 22.40 C ATOM 204 O GLN A 13 -7.261 2.722 0.758 1.00 71.30 O ATOM 205 CB GLN A 13 -9.946 4.301 0.652 1.00 1.11 C ATOM 206 CG GLN A 13 -9.397 5.734 0.811 1.00 73.41 C ATOM 207 CD GLN A 13 -10.042 6.502 1.955 1.00 54.15 C ATOM 208 OE1 GLN A 13 -10.479 5.921 2.949 1.00 60.10 O ATOM 209 NE2 GLN A 13 -10.088 7.815 1.836 1.00 12.34 N ATOM 0 H GLN A 13 -10.136 1.781 0.440 1.00 0.22 H new ATOM 0 HA GLN A 13 -9.412 3.939 -1.395 1.00 13.42 H new ATOM 0 HB2 GLN A 13 -11.008 4.356 0.412 1.00 1.11 H new ATOM 0 HB3 GLN A 13 -9.862 3.785 1.608 1.00 1.11 H new ATOM 0 HG2 GLN A 13 -8.321 5.687 0.975 1.00 73.41 H new ATOM 0 HG3 GLN A 13 -9.554 6.281 -0.119 1.00 73.41 H new ATOM 0 HE21 GLN A 13 -9.717 8.265 0.999 1.00 12.34 H new ATOM 0 HE22 GLN A 13 -10.495 8.381 2.581 1.00 12.34 H new ATOM 218 N VAL A 14 -6.959 4.114 -1.005 1.00 24.31 N ATOM 219 CA VAL A 14 -5.494 4.184 -0.954 1.00 34.13 C ATOM 220 C VAL A 14 -5.106 5.646 -0.710 1.00 1.44 C ATOM 221 O VAL A 14 -5.492 6.512 -1.493 1.00 53.44 O ATOM 222 CB VAL A 14 -4.857 3.683 -2.310 1.00 52.31 C ATOM 223 CG1 VAL A 14 -3.317 3.551 -2.203 1.00 52.40 C ATOM 224 CG2 VAL A 14 -5.509 2.354 -2.763 1.00 43.41 C ATOM 0 H VAL A 14 -7.357 4.673 -1.759 1.00 24.31 H new ATOM 0 HA VAL A 14 -5.122 3.542 -0.155 1.00 34.13 H new ATOM 0 HB VAL A 14 -5.061 4.435 -3.072 1.00 52.31 H new ATOM 0 HG11 VAL A 14 -2.915 3.204 -3.155 1.00 52.40 H new ATOM 0 HG12 VAL A 14 -2.885 4.521 -1.958 1.00 52.40 H new ATOM 0 HG13 VAL A 14 -3.067 2.835 -1.421 1.00 52.40 H new ATOM 0 HG21 VAL A 14 -5.056 2.027 -3.699 1.00 43.41 H new ATOM 0 HG22 VAL A 14 -5.353 1.593 -1.998 1.00 43.41 H new ATOM 0 HG23 VAL A 14 -6.578 2.505 -2.911 1.00 43.41 H new ATOM 234 N GLN A 15 -4.391 5.922 0.385 1.00 33.43 N ATOM 235 CA GLN A 15 -3.912 7.273 0.707 1.00 42.51 C ATOM 236 C GLN A 15 -2.439 7.193 1.123 1.00 43.31 C ATOM 237 O GLN A 15 -2.121 6.637 2.171 1.00 60.51 O ATOM 238 CB GLN A 15 -4.772 7.906 1.839 1.00 42.41 C ATOM 239 CG GLN A 15 -4.417 9.378 2.146 1.00 0.33 C ATOM 240 CD GLN A 15 -5.231 9.976 3.295 1.00 73.03 C ATOM 241 OE1 GLN A 15 -4.803 9.967 4.446 1.00 50.41 O ATOM 242 NE2 GLN A 15 -6.427 10.465 3.001 1.00 61.22 N ATOM 0 H GLN A 15 -4.127 5.217 1.073 1.00 33.43 H new ATOM 0 HA GLN A 15 -4.005 7.910 -0.172 1.00 42.51 H new ATOM 0 HB2 GLN A 15 -5.824 7.847 1.559 1.00 42.41 H new ATOM 0 HB3 GLN A 15 -4.650 7.316 2.747 1.00 42.41 H new ATOM 0 HG2 GLN A 15 -3.357 9.444 2.390 1.00 0.33 H new ATOM 0 HG3 GLN A 15 -4.576 9.976 1.249 1.00 0.33 H new ATOM 0 HE21 GLN A 15 -6.757 10.460 2.036 1.00 61.22 H new ATOM 0 HE22 GLN A 15 -7.018 10.847 3.740 1.00 61.22 H new ATOM 251 N ASN A 16 -1.548 7.712 0.283 1.00 54.53 N ATOM 252 CA ASN A 16 -0.119 7.855 0.610 1.00 71.14 C ATOM 253 C ASN A 16 0.176 9.328 0.894 1.00 74.32 C ATOM 254 O ASN A 16 -0.482 10.198 0.341 1.00 71.34 O ATOM 255 CB ASN A 16 0.764 7.324 -0.543 1.00 35.40 C ATOM 256 CG ASN A 16 2.252 7.691 -0.412 1.00 30.51 C ATOM 257 OD1 ASN A 16 2.703 8.695 -0.957 1.00 72.45 O ATOM 258 ND2 ASN A 16 3.012 6.919 0.355 1.00 54.54 N ATOM 0 H ASN A 16 -1.790 8.049 -0.649 1.00 54.53 H new ATOM 0 HA ASN A 16 0.114 7.263 1.495 1.00 71.14 H new ATOM 0 HB2 ASN A 16 0.671 6.239 -0.588 1.00 35.40 H new ATOM 0 HB3 ASN A 16 0.385 7.716 -1.487 1.00 35.40 H new ATOM 0 HD21 ASN A 16 3.993 7.155 0.502 1.00 54.54 H new ATOM 0 HD22 ASN A 16 2.615 6.090 0.797 1.00 54.54 H new ATOM 265 N ASN A 17 1.142 9.575 1.793 1.00 44.34 N ATOM 266 CA ASN A 17 1.668 10.910 2.121 1.00 64.43 C ATOM 267 C ASN A 17 3.167 10.766 2.415 1.00 63.42 C ATOM 268 O ASN A 17 3.558 10.074 3.362 1.00 11.43 O ATOM 269 CB ASN A 17 0.924 11.542 3.336 1.00 33.54 C ATOM 270 CG ASN A 17 -0.377 12.240 2.937 1.00 24.32 C ATOM 271 OD1 ASN A 17 -0.390 13.447 2.675 1.00 23.10 O ATOM 272 ND2 ASN A 17 -1.474 11.493 2.854 1.00 64.44 N ATOM 0 H ASN A 17 1.591 8.831 2.327 1.00 44.34 H new ATOM 0 HA ASN A 17 1.508 11.581 1.277 1.00 64.43 H new ATOM 0 HB2 ASN A 17 0.704 10.763 4.066 1.00 33.54 H new ATOM 0 HB3 ASN A 17 1.581 12.261 3.825 1.00 33.54 H new ATOM 0 HD21 ASN A 17 -2.358 11.914 2.567 1.00 64.44 H new ATOM 0 HD22 ASN A 17 -1.432 10.499 3.077 1.00 64.44 H new ATOM 279 N ASN A 18 3.992 11.425 1.597 1.00 61.14 N ATOM 280 CA ASN A 18 5.456 11.356 1.676 1.00 41.34 C ATOM 281 C ASN A 18 5.984 12.597 2.399 1.00 22.31 C ATOM 282 O ASN A 18 5.574 13.725 2.089 1.00 13.21 O ATOM 283 CB ASN A 18 6.053 11.281 0.249 1.00 71.32 C ATOM 284 CG ASN A 18 5.627 10.025 -0.515 1.00 51.03 C ATOM 285 OD1 ASN A 18 5.413 8.966 0.073 1.00 5.25 O ATOM 286 ND2 ASN A 18 5.488 10.134 -1.824 1.00 5.53 N ATOM 0 H ASN A 18 3.657 12.032 0.849 1.00 61.14 H new ATOM 0 HA ASN A 18 5.750 10.464 2.230 1.00 41.34 H new ATOM 0 HB2 ASN A 18 5.746 12.163 -0.314 1.00 71.32 H new ATOM 0 HB3 ASN A 18 7.141 11.308 0.315 1.00 71.32 H new ATOM 0 HD21 ASN A 18 5.196 9.327 -2.375 1.00 5.53 H new ATOM 0 HD22 ASN A 18 5.673 11.025 -2.284 1.00 5.53 H new ATOM 293 N THR A 19 6.890 12.384 3.361 1.00 40.11 N ATOM 294 CA THR A 19 7.455 13.464 4.172 1.00 14.32 C ATOM 295 C THR A 19 8.795 13.919 3.563 1.00 70.34 C ATOM 296 O THR A 19 9.788 13.173 3.575 1.00 5.23 O ATOM 297 CB THR A 19 7.671 13.001 5.647 1.00 21.21 C ATOM 298 OG1 THR A 19 6.512 12.275 6.103 1.00 53.21 O ATOM 299 CG2 THR A 19 7.933 14.201 6.585 1.00 23.04 C ATOM 0 H THR A 19 7.250 11.459 3.597 1.00 40.11 H new ATOM 0 HA THR A 19 6.753 14.298 4.177 1.00 14.32 H new ATOM 0 HB THR A 19 8.548 12.355 5.672 1.00 21.21 H new ATOM 0 HG1 THR A 19 6.651 11.984 7.028 1.00 53.21 H new ATOM 0 HG21 THR A 19 8.079 13.842 7.604 1.00 23.04 H new ATOM 0 HG22 THR A 19 8.826 14.732 6.256 1.00 23.04 H new ATOM 0 HG23 THR A 19 7.079 14.877 6.558 1.00 23.04 H new ATOM 307 N CYS A 20 8.783 15.145 3.026 1.00 45.31 N ATOM 308 CA CYS A 20 9.932 15.796 2.382 1.00 64.24 C ATOM 309 C CYS A 20 9.763 17.322 2.498 1.00 5.24 C ATOM 310 O CYS A 20 8.765 17.801 3.048 1.00 4.24 O ATOM 311 CB CYS A 20 10.022 15.376 0.886 1.00 51.13 C ATOM 312 SG CYS A 20 10.289 13.608 0.615 1.00 43.24 S ATOM 0 H CYS A 20 7.948 15.730 3.027 1.00 45.31 H new ATOM 0 HA CYS A 20 10.853 15.489 2.876 1.00 64.24 H new ATOM 0 HB2 CYS A 20 9.101 15.672 0.383 1.00 51.13 H new ATOM 0 HB3 CYS A 20 10.835 15.929 0.415 1.00 51.13 H new ATOM 0 HG CYS A 20 10.158 12.972 1.741 1.00 43.24 H new ATOM 318 N ASN A 21 10.740 18.077 1.978 1.00 12.23 N ATOM 319 CA ASN A 21 10.657 19.545 1.870 1.00 71.24 C ATOM 320 C ASN A 21 10.017 19.899 0.512 1.00 31.23 C ATOM 321 O ASN A 21 10.656 20.474 -0.382 1.00 72.03 O ATOM 322 CB ASN A 21 12.072 20.167 2.045 1.00 51.12 C ATOM 323 CG ASN A 21 12.652 19.942 3.449 1.00 64.30 C ATOM 324 OD1 ASN A 21 13.204 18.881 3.747 1.00 15.31 O ATOM 325 ND2 ASN A 21 12.570 20.949 4.305 1.00 33.42 N ATOM 0 H ASN A 21 11.613 17.689 1.619 1.00 12.23 H new ATOM 0 HA ASN A 21 10.031 19.961 2.659 1.00 71.24 H new ATOM 0 HB2 ASN A 21 12.747 19.737 1.305 1.00 51.12 H new ATOM 0 HB3 ASN A 21 12.021 21.237 1.845 1.00 51.12 H new ATOM 0 HD21 ASN A 21 12.970 20.858 5.239 1.00 33.42 H new ATOM 0 HD22 ASN A 21 12.107 21.815 4.030 1.00 33.42 H new ATOM 332 N GLY A 22 8.742 19.501 0.362 1.00 61.43 N ATOM 333 CA GLY A 22 7.985 19.697 -0.878 1.00 22.32 C ATOM 334 C GLY A 22 6.574 20.182 -0.594 1.00 32.44 C ATOM 335 O GLY A 22 6.057 19.976 0.513 1.00 31.55 O ATOM 0 H GLY A 22 8.211 19.035 1.098 1.00 61.43 H new ATOM 0 HA2 GLY A 22 8.500 20.420 -1.510 1.00 22.32 H new ATOM 0 HA3 GLY A 22 7.945 18.760 -1.434 1.00 22.32 H new ATOM 339 N LYS A 23 5.950 20.817 -1.600 1.00 1.52 N ATOM 340 CA LYS A 23 4.664 21.525 -1.443 1.00 40.35 C ATOM 341 C LYS A 23 3.533 20.579 -0.984 1.00 53.22 C ATOM 342 O LYS A 23 2.961 20.771 0.100 1.00 41.34 O ATOM 343 CB LYS A 23 4.295 22.252 -2.770 1.00 12.35 C ATOM 344 CG LYS A 23 3.115 23.254 -2.667 1.00 42.33 C ATOM 345 CD LYS A 23 3.339 24.342 -1.578 1.00 71.21 C ATOM 346 CE LYS A 23 4.613 25.188 -1.802 1.00 4.51 C ATOM 347 NZ LYS A 23 4.894 26.083 -0.649 1.00 33.33 N ATOM 0 H LYS A 23 6.323 20.855 -2.549 1.00 1.52 H new ATOM 0 HA LYS A 23 4.781 22.270 -0.656 1.00 40.35 H new ATOM 0 HB2 LYS A 23 5.174 22.786 -3.130 1.00 12.35 H new ATOM 0 HB3 LYS A 23 4.049 21.501 -3.521 1.00 12.35 H new ATOM 0 HG2 LYS A 23 2.970 23.738 -3.633 1.00 42.33 H new ATOM 0 HG3 LYS A 23 2.199 22.707 -2.444 1.00 42.33 H new ATOM 0 HD2 LYS A 23 2.473 25.004 -1.554 1.00 71.21 H new ATOM 0 HD3 LYS A 23 3.400 23.860 -0.602 1.00 71.21 H new ATOM 0 HE2 LYS A 23 5.464 24.527 -1.964 1.00 4.51 H new ATOM 0 HE3 LYS A 23 4.497 25.786 -2.706 1.00 4.51 H new ATOM 0 HZ1 LYS A 23 5.756 26.633 -0.839 1.00 33.33 H new ATOM 0 HZ2 LYS A 23 4.093 26.732 -0.510 1.00 33.33 H new ATOM 0 HZ3 LYS A 23 5.030 25.511 0.209 1.00 33.33 H new ATOM 361 N THR A 24 3.235 19.560 -1.807 1.00 3.10 N ATOM 362 CA THR A 24 2.206 18.546 -1.513 1.00 15.42 C ATOM 363 C THR A 24 2.557 17.232 -2.253 1.00 73.51 C ATOM 364 O THR A 24 2.406 17.145 -3.479 1.00 0.11 O ATOM 365 CB THR A 24 0.765 19.051 -1.923 1.00 3.21 C ATOM 366 OG1 THR A 24 0.454 20.289 -1.249 1.00 31.31 O ATOM 367 CG2 THR A 24 -0.327 18.019 -1.594 1.00 73.04 C ATOM 0 H THR A 24 3.704 19.415 -2.701 1.00 3.10 H new ATOM 0 HA THR A 24 2.191 18.364 -0.438 1.00 15.42 H new ATOM 0 HB THR A 24 0.781 19.203 -3.002 1.00 3.21 H new ATOM 0 HG1 THR A 24 -0.440 20.590 -1.514 1.00 31.31 H new ATOM 0 HG21 THR A 24 -1.299 18.410 -1.893 1.00 73.04 H new ATOM 0 HG22 THR A 24 -0.127 17.093 -2.133 1.00 73.04 H new ATOM 0 HG23 THR A 24 -0.330 17.821 -0.522 1.00 73.04 H new ATOM 375 N PHE A 25 3.086 16.241 -1.515 1.00 74.30 N ATOM 376 CA PHE A 25 3.371 14.894 -2.047 1.00 14.35 C ATOM 377 C PHE A 25 2.440 13.874 -1.380 1.00 53.34 C ATOM 378 O PHE A 25 2.749 13.350 -0.305 1.00 62.12 O ATOM 379 CB PHE A 25 4.868 14.504 -1.837 1.00 3.12 C ATOM 380 CG PHE A 25 5.854 15.225 -2.763 1.00 5.54 C ATOM 381 CD1 PHE A 25 5.840 14.979 -4.139 1.00 42.41 C ATOM 382 CD2 PHE A 25 6.793 16.137 -2.266 1.00 1.32 C ATOM 383 CE1 PHE A 25 6.730 15.614 -4.984 1.00 33.31 C ATOM 384 CE2 PHE A 25 7.685 16.769 -3.118 1.00 4.20 C ATOM 385 CZ PHE A 25 7.649 16.511 -4.473 1.00 44.34 C ATOM 0 H PHE A 25 3.329 16.350 -0.530 1.00 74.30 H new ATOM 0 HA PHE A 25 3.188 14.897 -3.121 1.00 14.35 H new ATOM 0 HB2 PHE A 25 5.142 14.713 -0.803 1.00 3.12 H new ATOM 0 HB3 PHE A 25 4.973 13.429 -1.983 1.00 3.12 H new ATOM 0 HD1 PHE A 25 5.123 14.282 -4.548 1.00 42.41 H new ATOM 0 HD2 PHE A 25 6.823 16.350 -1.208 1.00 1.32 H new ATOM 0 HE1 PHE A 25 6.708 15.409 -6.044 1.00 33.31 H new ATOM 0 HE2 PHE A 25 8.409 17.465 -2.721 1.00 4.20 H new ATOM 0 HZ PHE A 25 8.340 17.011 -5.135 1.00 44.34 H new ATOM 395 N ASP A 26 1.268 13.651 -1.989 1.00 73.14 N ATOM 396 CA ASP A 26 0.340 12.587 -1.571 1.00 44.14 C ATOM 397 C ASP A 26 -0.224 11.896 -2.819 1.00 50.15 C ATOM 398 O ASP A 26 -0.316 12.510 -3.891 1.00 75.42 O ATOM 399 CB ASP A 26 -0.804 13.129 -0.655 1.00 21.54 C ATOM 400 CG ASP A 26 -1.946 13.838 -1.400 1.00 32.40 C ATOM 401 OD1 ASP A 26 -1.766 15.001 -1.813 1.00 34.45 O ATOM 402 OD2 ASP A 26 -3.032 13.228 -1.584 1.00 13.30 O ATOM 0 H ASP A 26 0.936 14.199 -2.782 1.00 73.14 H new ATOM 0 HA ASP A 26 0.890 11.862 -0.972 1.00 44.14 H new ATOM 0 HB2 ASP A 26 -1.221 12.297 -0.088 1.00 21.54 H new ATOM 0 HB3 ASP A 26 -0.374 13.823 0.067 1.00 21.54 H new ATOM 407 N TYR A 27 -0.597 10.616 -2.674 1.00 1.11 N ATOM 408 CA TYR A 27 -1.130 9.797 -3.778 1.00 14.52 C ATOM 409 C TYR A 27 -2.403 9.079 -3.300 1.00 45.11 C ATOM 410 O TYR A 27 -2.329 8.050 -2.616 1.00 52.03 O ATOM 411 CB TYR A 27 -0.055 8.782 -4.281 1.00 11.23 C ATOM 412 CG TYR A 27 1.233 9.452 -4.797 1.00 22.21 C ATOM 413 CD1 TYR A 27 1.256 10.114 -6.029 1.00 72.34 C ATOM 414 CD2 TYR A 27 2.408 9.459 -4.036 1.00 22.21 C ATOM 415 CE1 TYR A 27 2.401 10.746 -6.481 1.00 45.30 C ATOM 416 CE2 TYR A 27 3.549 10.094 -4.482 1.00 52.33 C ATOM 417 CZ TYR A 27 3.543 10.735 -5.700 1.00 10.12 C ATOM 418 OH TYR A 27 4.687 11.368 -6.140 1.00 15.30 O ATOM 0 H TYR A 27 -0.538 10.116 -1.787 1.00 1.11 H new ATOM 0 HA TYR A 27 -1.384 10.439 -4.621 1.00 14.52 H new ATOM 0 HB2 TYR A 27 0.200 8.103 -3.468 1.00 11.23 H new ATOM 0 HB3 TYR A 27 -0.484 8.177 -5.079 1.00 11.23 H new ATOM 0 HD1 TYR A 27 0.364 10.132 -6.638 1.00 72.34 H new ATOM 0 HD2 TYR A 27 2.422 8.957 -3.080 1.00 22.21 H new ATOM 0 HE1 TYR A 27 2.403 11.245 -7.439 1.00 45.30 H new ATOM 0 HE2 TYR A 27 4.444 10.088 -3.877 1.00 52.33 H new ATOM 0 HH TYR A 27 5.396 11.265 -5.471 1.00 15.30 H new ATOM 428 N THR A 28 -3.569 9.662 -3.628 1.00 63.40 N ATOM 429 CA THR A 28 -4.876 9.132 -3.216 1.00 13.43 C ATOM 430 C THR A 28 -5.622 8.541 -4.427 1.00 55.21 C ATOM 431 O THR A 28 -5.857 9.238 -5.419 1.00 70.00 O ATOM 432 CB THR A 28 -5.733 10.247 -2.542 1.00 52.51 C ATOM 433 OG1 THR A 28 -4.995 10.809 -1.436 1.00 32.44 O ATOM 434 CG2 THR A 28 -7.098 9.707 -2.034 1.00 43.44 C ATOM 0 H THR A 28 -3.630 10.514 -4.186 1.00 63.40 H new ATOM 0 HA THR A 28 -4.710 8.338 -2.488 1.00 13.43 H new ATOM 0 HB THR A 28 -5.940 11.011 -3.292 1.00 52.51 H new ATOM 0 HG1 THR A 28 -4.451 11.560 -1.754 1.00 32.44 H new ATOM 0 HG21 THR A 28 -7.661 10.518 -1.572 1.00 43.44 H new ATOM 0 HG22 THR A 28 -7.665 9.304 -2.873 1.00 43.44 H new ATOM 0 HG23 THR A 28 -6.927 8.920 -1.300 1.00 43.44 H new ATOM 442 N TYR A 29 -5.959 7.238 -4.340 1.00 65.24 N ATOM 443 CA TYR A 29 -6.676 6.484 -5.398 1.00 20.34 C ATOM 444 C TYR A 29 -7.724 5.570 -4.736 1.00 4.54 C ATOM 445 O TYR A 29 -7.578 5.212 -3.570 1.00 53.11 O ATOM 446 CB TYR A 29 -5.672 5.637 -6.237 1.00 31.43 C ATOM 447 CG TYR A 29 -4.525 6.462 -6.848 1.00 64.53 C ATOM 448 CD1 TYR A 29 -4.743 7.299 -7.945 1.00 3.31 C ATOM 449 CD2 TYR A 29 -3.238 6.426 -6.301 1.00 53.35 C ATOM 450 CE1 TYR A 29 -3.718 8.062 -8.474 1.00 32.34 C ATOM 451 CE2 TYR A 29 -2.212 7.180 -6.832 1.00 0.30 C ATOM 452 CZ TYR A 29 -2.453 8.002 -7.911 1.00 2.24 C ATOM 453 OH TYR A 29 -1.430 8.764 -8.433 1.00 45.41 O ATOM 0 H TYR A 29 -5.739 6.669 -3.523 1.00 65.24 H new ATOM 0 HA TYR A 29 -7.173 7.183 -6.070 1.00 20.34 H new ATOM 0 HB2 TYR A 29 -5.249 4.858 -5.603 1.00 31.43 H new ATOM 0 HB3 TYR A 29 -6.214 5.136 -7.039 1.00 31.43 H new ATOM 0 HD1 TYR A 29 -5.727 7.351 -8.387 1.00 3.31 H new ATOM 0 HD2 TYR A 29 -3.044 5.795 -5.446 1.00 53.35 H new ATOM 0 HE1 TYR A 29 -3.903 8.703 -9.323 1.00 32.34 H new ATOM 0 HE2 TYR A 29 -1.222 7.126 -6.403 1.00 0.30 H new ATOM 0 HH TYR A 29 -0.610 8.605 -7.921 1.00 45.41 H new ATOM 463 N THR A 30 -8.800 5.223 -5.459 1.00 13.13 N ATOM 464 CA THR A 30 -9.836 4.298 -4.959 1.00 2.40 C ATOM 465 C THR A 30 -10.108 3.215 -6.013 1.00 50.11 C ATOM 466 O THR A 30 -10.673 3.494 -7.075 1.00 43.13 O ATOM 467 CB THR A 30 -11.148 5.064 -4.576 1.00 13.13 C ATOM 468 OG1 THR A 30 -10.836 6.085 -3.609 1.00 11.34 O ATOM 469 CG2 THR A 30 -12.230 4.125 -3.996 1.00 2.14 C ATOM 0 H THR A 30 -8.978 5.572 -6.401 1.00 13.13 H new ATOM 0 HA THR A 30 -9.472 3.820 -4.050 1.00 2.40 H new ATOM 0 HB THR A 30 -11.550 5.505 -5.488 1.00 13.13 H new ATOM 0 HG1 THR A 30 -11.654 6.568 -3.368 1.00 11.34 H new ATOM 0 HG21 THR A 30 -13.119 4.704 -3.747 1.00 2.14 H new ATOM 0 HG22 THR A 30 -12.487 3.366 -4.735 1.00 2.14 H new ATOM 0 HG23 THR A 30 -11.848 3.641 -3.097 1.00 2.14 H new ATOM 477 N VAL A 31 -9.663 1.982 -5.727 1.00 22.03 N ATOM 478 CA VAL A 31 -9.830 0.823 -6.631 1.00 51.14 C ATOM 479 C VAL A 31 -10.799 -0.192 -6.005 1.00 55.03 C ATOM 480 O VAL A 31 -10.913 -0.273 -4.786 1.00 64.54 O ATOM 481 CB VAL A 31 -8.448 0.125 -6.949 1.00 73.12 C ATOM 482 CG1 VAL A 31 -7.516 1.065 -7.752 1.00 23.11 C ATOM 483 CG2 VAL A 31 -7.754 -0.373 -5.661 1.00 33.15 C ATOM 0 H VAL A 31 -9.175 1.755 -4.861 1.00 22.03 H new ATOM 0 HA VAL A 31 -10.240 1.190 -7.572 1.00 51.14 H new ATOM 0 HB VAL A 31 -8.660 -0.747 -7.568 1.00 73.12 H new ATOM 0 HG11 VAL A 31 -6.574 0.556 -7.955 1.00 23.11 H new ATOM 0 HG12 VAL A 31 -7.994 1.333 -8.694 1.00 23.11 H new ATOM 0 HG13 VAL A 31 -7.323 1.968 -7.173 1.00 23.11 H new ATOM 0 HG21 VAL A 31 -6.807 -0.847 -5.918 1.00 33.15 H new ATOM 0 HG22 VAL A 31 -7.568 0.472 -4.998 1.00 33.15 H new ATOM 0 HG23 VAL A 31 -8.397 -1.095 -5.157 1.00 33.15 H new ATOM 493 N THR A 32 -11.517 -0.940 -6.848 1.00 21.13 N ATOM 494 CA THR A 32 -12.362 -2.067 -6.397 1.00 65.54 C ATOM 495 C THR A 32 -11.587 -3.388 -6.557 1.00 72.24 C ATOM 496 O THR A 32 -11.746 -4.320 -5.756 1.00 12.55 O ATOM 497 CB THR A 32 -13.722 -2.117 -7.184 1.00 3.40 C ATOM 498 OG1 THR A 32 -14.553 -3.183 -6.692 1.00 32.24 O ATOM 499 CG2 THR A 32 -13.530 -2.276 -8.707 1.00 11.42 C ATOM 0 H THR A 32 -11.534 -0.789 -7.857 1.00 21.13 H new ATOM 0 HA THR A 32 -12.604 -1.919 -5.345 1.00 65.54 H new ATOM 0 HB THR A 32 -14.209 -1.157 -7.014 1.00 3.40 H new ATOM 0 HG1 THR A 32 -15.396 -3.198 -7.192 1.00 32.24 H new ATOM 0 HG21 THR A 32 -14.504 -2.304 -9.196 1.00 11.42 H new ATOM 0 HG22 THR A 32 -12.956 -1.433 -9.091 1.00 11.42 H new ATOM 0 HG23 THR A 32 -12.995 -3.203 -8.911 1.00 11.42 H new ATOM 507 N THR A 33 -10.728 -3.439 -7.588 1.00 44.42 N ATOM 508 CA THR A 33 -9.944 -4.630 -7.939 1.00 65.04 C ATOM 509 C THR A 33 -8.561 -4.579 -7.261 1.00 13.44 C ATOM 510 O THR A 33 -7.847 -3.571 -7.362 1.00 75.34 O ATOM 511 CB THR A 33 -9.796 -4.729 -9.493 1.00 11.22 C ATOM 512 OG1 THR A 33 -11.098 -4.777 -10.103 1.00 4.23 O ATOM 513 CG2 THR A 33 -8.981 -5.956 -9.942 1.00 55.11 C ATOM 0 H THR A 33 -10.558 -2.646 -8.206 1.00 44.42 H new ATOM 0 HA THR A 33 -10.465 -5.518 -7.581 1.00 65.04 H new ATOM 0 HB THR A 33 -9.251 -3.841 -9.815 1.00 11.22 H new ATOM 0 HG1 THR A 33 -11.001 -4.837 -11.076 1.00 4.23 H new ATOM 0 HG21 THR A 33 -8.913 -5.970 -11.030 1.00 55.11 H new ATOM 0 HG22 THR A 33 -7.979 -5.903 -9.517 1.00 55.11 H new ATOM 0 HG23 THR A 33 -9.473 -6.866 -9.598 1.00 55.11 H new ATOM 521 N GLU A 34 -8.205 -5.676 -6.579 1.00 32.43 N ATOM 522 CA GLU A 34 -6.940 -5.806 -5.834 1.00 15.44 C ATOM 523 C GLU A 34 -5.735 -5.932 -6.794 1.00 62.34 C ATOM 524 O GLU A 34 -4.617 -5.567 -6.432 1.00 11.14 O ATOM 525 CB GLU A 34 -7.038 -7.026 -4.882 1.00 53.35 C ATOM 526 CG GLU A 34 -8.236 -6.929 -3.901 1.00 73.54 C ATOM 527 CD GLU A 34 -8.469 -8.195 -3.078 1.00 43.03 C ATOM 528 OE1 GLU A 34 -8.821 -9.235 -3.676 1.00 55.54 O ATOM 529 OE2 GLU A 34 -8.280 -8.182 -1.843 1.00 73.04 O ATOM 0 H GLU A 34 -8.792 -6.509 -6.527 1.00 32.43 H new ATOM 0 HA GLU A 34 -6.776 -4.905 -5.242 1.00 15.44 H new ATOM 0 HB2 GLU A 34 -7.132 -7.936 -5.474 1.00 53.35 H new ATOM 0 HB3 GLU A 34 -6.113 -7.111 -4.311 1.00 53.35 H new ATOM 0 HG2 GLU A 34 -8.070 -6.092 -3.222 1.00 73.54 H new ATOM 0 HG3 GLU A 34 -9.140 -6.705 -4.468 1.00 73.54 H new ATOM 536 N SER A 35 -5.979 -6.453 -8.016 1.00 34.12 N ATOM 537 CA SER A 35 -4.955 -6.520 -9.079 1.00 61.13 C ATOM 538 C SER A 35 -4.610 -5.116 -9.611 1.00 13.22 C ATOM 539 O SER A 35 -3.446 -4.832 -9.923 1.00 32.22 O ATOM 540 CB SER A 35 -5.428 -7.443 -10.219 1.00 70.12 C ATOM 541 OG SER A 35 -5.703 -8.742 -9.718 1.00 41.10 O ATOM 0 H SER A 35 -6.884 -6.836 -8.291 1.00 34.12 H new ATOM 0 HA SER A 35 -4.045 -6.940 -8.650 1.00 61.13 H new ATOM 0 HB2 SER A 35 -6.322 -7.028 -10.685 1.00 70.12 H new ATOM 0 HB3 SER A 35 -4.662 -7.499 -10.993 1.00 70.12 H new ATOM 0 HG SER A 35 -6.004 -9.318 -10.451 1.00 41.10 H new ATOM 547 N GLU A 36 -5.637 -4.235 -9.690 1.00 34.21 N ATOM 548 CA GLU A 36 -5.448 -2.821 -10.053 1.00 4.00 C ATOM 549 C GLU A 36 -4.631 -2.101 -8.978 1.00 1.24 C ATOM 550 O GLU A 36 -3.802 -1.256 -9.299 1.00 62.34 O ATOM 551 CB GLU A 36 -6.807 -2.098 -10.264 1.00 74.40 C ATOM 552 CG GLU A 36 -7.620 -2.591 -11.481 1.00 23.21 C ATOM 553 CD GLU A 36 -6.842 -2.513 -12.802 1.00 3.51 C ATOM 554 OE1 GLU A 36 -6.707 -1.401 -13.364 1.00 14.21 O ATOM 555 OE2 GLU A 36 -6.334 -3.557 -13.281 1.00 63.13 O ATOM 0 H GLU A 36 -6.608 -4.487 -9.505 1.00 34.21 H new ATOM 0 HA GLU A 36 -4.904 -2.792 -10.997 1.00 4.00 H new ATOM 0 HB2 GLU A 36 -7.412 -2.222 -9.366 1.00 74.40 H new ATOM 0 HB3 GLU A 36 -6.621 -1.030 -10.378 1.00 74.40 H new ATOM 0 HG2 GLU A 36 -7.929 -3.622 -11.309 1.00 23.21 H new ATOM 0 HG3 GLU A 36 -8.529 -1.996 -11.567 1.00 23.21 H new ATOM 562 N LEU A 37 -4.870 -2.467 -7.701 1.00 42.45 N ATOM 563 CA LEU A 37 -4.131 -1.919 -6.555 1.00 74.43 C ATOM 564 C LEU A 37 -2.620 -2.197 -6.686 1.00 12.40 C ATOM 565 O LEU A 37 -1.815 -1.300 -6.472 1.00 31.11 O ATOM 566 CB LEU A 37 -4.682 -2.513 -5.238 1.00 3.41 C ATOM 567 CG LEU A 37 -3.940 -2.091 -3.930 1.00 10.43 C ATOM 568 CD1 LEU A 37 -3.895 -0.560 -3.783 1.00 73.54 C ATOM 569 CD2 LEU A 37 -4.582 -2.746 -2.696 1.00 1.03 C ATOM 0 H LEU A 37 -5.581 -3.150 -7.441 1.00 42.45 H new ATOM 0 HA LEU A 37 -4.270 -0.838 -6.540 1.00 74.43 H new ATOM 0 HB2 LEU A 37 -5.730 -2.228 -5.145 1.00 3.41 H new ATOM 0 HB3 LEU A 37 -4.653 -3.600 -5.313 1.00 3.41 H new ATOM 0 HG LEU A 37 -2.912 -2.447 -4.002 1.00 10.43 H new ATOM 0 HD11 LEU A 37 -3.372 -0.298 -2.863 1.00 73.54 H new ATOM 0 HD12 LEU A 37 -3.369 -0.128 -4.635 1.00 73.54 H new ATOM 0 HD13 LEU A 37 -4.911 -0.168 -3.747 1.00 73.54 H new ATOM 0 HD21 LEU A 37 -4.046 -2.435 -1.799 1.00 1.03 H new ATOM 0 HD22 LEU A 37 -5.625 -2.437 -2.621 1.00 1.03 H new ATOM 0 HD23 LEU A 37 -4.531 -3.831 -2.792 1.00 1.03 H new ATOM 581 N GLN A 38 -2.270 -3.442 -7.069 1.00 21.22 N ATOM 582 CA GLN A 38 -0.865 -3.880 -7.242 1.00 13.33 C ATOM 583 C GLN A 38 -0.149 -3.034 -8.317 1.00 50.34 C ATOM 584 O GLN A 38 1.016 -2.667 -8.155 1.00 42.30 O ATOM 585 CB GLN A 38 -0.831 -5.388 -7.616 1.00 3.43 C ATOM 586 CG GLN A 38 -1.479 -6.300 -6.551 1.00 52.33 C ATOM 587 CD GLN A 38 -1.674 -7.750 -7.002 1.00 33.12 C ATOM 588 OE1 GLN A 38 -1.840 -8.030 -8.189 1.00 4.20 O ATOM 589 NE2 GLN A 38 -1.691 -8.678 -6.055 1.00 54.54 N ATOM 0 H GLN A 38 -2.952 -4.174 -7.268 1.00 21.22 H new ATOM 0 HA GLN A 38 -0.334 -3.734 -6.301 1.00 13.33 H new ATOM 0 HB2 GLN A 38 -1.345 -5.530 -8.567 1.00 3.43 H new ATOM 0 HB3 GLN A 38 0.204 -5.694 -7.764 1.00 3.43 H new ATOM 0 HG2 GLN A 38 -0.859 -6.290 -5.655 1.00 52.33 H new ATOM 0 HG3 GLN A 38 -2.448 -5.884 -6.273 1.00 52.33 H new ATOM 0 HE21 GLN A 38 -1.550 -8.414 -5.080 1.00 54.54 H new ATOM 0 HE22 GLN A 38 -1.845 -9.656 -6.302 1.00 54.54 H new ATOM 598 N LYS A 39 -0.892 -2.723 -9.396 1.00 3.43 N ATOM 599 CA LYS A 39 -0.430 -1.857 -10.498 1.00 45.15 C ATOM 600 C LYS A 39 -0.181 -0.416 -10.000 1.00 43.40 C ATOM 601 O LYS A 39 0.825 0.209 -10.355 1.00 41.05 O ATOM 602 CB LYS A 39 -1.488 -1.863 -11.630 1.00 33.21 C ATOM 603 CG LYS A 39 -1.683 -3.235 -12.327 1.00 52.31 C ATOM 604 CD LYS A 39 -2.951 -3.271 -13.216 1.00 70.13 C ATOM 605 CE LYS A 39 -2.956 -2.199 -14.325 1.00 4.14 C ATOM 606 NZ LYS A 39 -4.258 -2.148 -15.046 1.00 42.34 N ATOM 0 H LYS A 39 -1.842 -3.070 -9.529 1.00 3.43 H new ATOM 0 HA LYS A 39 0.514 -2.244 -10.881 1.00 45.15 H new ATOM 0 HB2 LYS A 39 -2.444 -1.541 -11.217 1.00 33.21 H new ATOM 0 HB3 LYS A 39 -1.201 -1.127 -12.381 1.00 33.21 H new ATOM 0 HG2 LYS A 39 -0.808 -3.457 -12.938 1.00 52.31 H new ATOM 0 HG3 LYS A 39 -1.750 -4.017 -11.571 1.00 52.31 H new ATOM 0 HD2 LYS A 39 -3.036 -4.256 -13.674 1.00 70.13 H new ATOM 0 HD3 LYS A 39 -3.830 -3.135 -12.586 1.00 70.13 H new ATOM 0 HE2 LYS A 39 -2.746 -1.223 -13.887 1.00 4.14 H new ATOM 0 HE3 LYS A 39 -2.156 -2.409 -15.035 1.00 4.14 H new ATOM 0 HZ1 LYS A 39 -4.131 -2.497 -16.018 1.00 42.34 H new ATOM 0 HZ2 LYS A 39 -4.952 -2.745 -14.552 1.00 42.34 H new ATOM 0 HZ3 LYS A 39 -4.602 -1.167 -15.073 1.00 42.34 H new ATOM 620 N VAL A 40 -1.110 0.080 -9.156 1.00 45.41 N ATOM 621 CA VAL A 40 -1.047 1.428 -8.567 1.00 14.12 C ATOM 622 C VAL A 40 0.128 1.539 -7.577 1.00 44.31 C ATOM 623 O VAL A 40 0.769 2.580 -7.504 1.00 72.32 O ATOM 624 CB VAL A 40 -2.410 1.798 -7.851 1.00 35.33 C ATOM 625 CG1 VAL A 40 -2.327 3.137 -7.082 1.00 53.34 C ATOM 626 CG2 VAL A 40 -3.568 1.845 -8.877 1.00 4.31 C ATOM 0 H VAL A 40 -1.930 -0.451 -8.864 1.00 45.41 H new ATOM 0 HA VAL A 40 -0.883 2.139 -9.377 1.00 14.12 H new ATOM 0 HB VAL A 40 -2.607 1.014 -7.120 1.00 35.33 H new ATOM 0 HG11 VAL A 40 -3.287 3.345 -6.609 1.00 53.34 H new ATOM 0 HG12 VAL A 40 -1.553 3.070 -6.318 1.00 53.34 H new ATOM 0 HG13 VAL A 40 -2.083 3.941 -7.776 1.00 53.34 H new ATOM 0 HG21 VAL A 40 -4.496 2.101 -8.366 1.00 4.31 H new ATOM 0 HG22 VAL A 40 -3.352 2.597 -9.635 1.00 4.31 H new ATOM 0 HG23 VAL A 40 -3.672 0.870 -9.353 1.00 4.31 H new ATOM 636 N LEU A 41 0.411 0.448 -6.845 1.00 41.32 N ATOM 637 CA LEU A 41 1.492 0.409 -5.842 1.00 42.54 C ATOM 638 C LEU A 41 2.869 0.349 -6.517 1.00 41.24 C ATOM 639 O LEU A 41 3.833 0.898 -5.989 1.00 3.20 O ATOM 640 CB LEU A 41 1.299 -0.783 -4.867 1.00 71.10 C ATOM 641 CG LEU A 41 0.054 -0.685 -3.934 1.00 5.14 C ATOM 642 CD1 LEU A 41 -0.076 -1.926 -3.031 1.00 1.22 C ATOM 643 CD2 LEU A 41 0.079 0.620 -3.104 1.00 61.42 C ATOM 0 H LEU A 41 -0.101 -0.430 -6.931 1.00 41.32 H new ATOM 0 HA LEU A 41 1.445 1.331 -5.262 1.00 42.54 H new ATOM 0 HB2 LEU A 41 1.224 -1.700 -5.451 1.00 71.10 H new ATOM 0 HB3 LEU A 41 2.191 -0.872 -4.247 1.00 71.10 H new ATOM 0 HG LEU A 41 -0.831 -0.655 -4.569 1.00 5.14 H new ATOM 0 HD11 LEU A 41 -0.955 -1.822 -2.395 1.00 1.22 H new ATOM 0 HD12 LEU A 41 -0.179 -2.817 -3.650 1.00 1.22 H new ATOM 0 HD13 LEU A 41 0.814 -2.018 -2.408 1.00 1.22 H new ATOM 0 HD21 LEU A 41 -0.802 0.660 -2.463 1.00 61.42 H new ATOM 0 HD22 LEU A 41 0.978 0.642 -2.488 1.00 61.42 H new ATOM 0 HD23 LEU A 41 0.078 1.478 -3.776 1.00 61.42 H new ATOM 655 N ASN A 42 2.942 -0.322 -7.690 1.00 23.31 N ATOM 656 CA ASN A 42 4.176 -0.382 -8.508 1.00 64.43 C ATOM 657 C ASN A 42 4.455 0.979 -9.167 1.00 12.54 C ATOM 658 O ASN A 42 5.615 1.375 -9.320 1.00 60.25 O ATOM 659 CB ASN A 42 4.083 -1.502 -9.582 1.00 63.13 C ATOM 660 CG ASN A 42 4.129 -2.916 -8.984 1.00 71.10 C ATOM 661 OD1 ASN A 42 4.776 -3.154 -7.959 1.00 63.42 O ATOM 662 ND2 ASN A 42 3.453 -3.860 -9.621 1.00 73.23 N ATOM 0 H ASN A 42 2.156 -0.832 -8.093 1.00 23.31 H new ATOM 0 HA ASN A 42 5.007 -0.622 -7.845 1.00 64.43 H new ATOM 0 HB2 ASN A 42 3.157 -1.382 -10.144 1.00 63.13 H new ATOM 0 HB3 ASN A 42 4.903 -1.387 -10.290 1.00 63.13 H new ATOM 0 HD21 ASN A 42 3.457 -4.817 -9.267 1.00 73.23 H new ATOM 0 HD22 ASN A 42 2.929 -3.630 -10.465 1.00 73.23 H new ATOM 669 N GLU A 43 3.374 1.684 -9.543 1.00 31.34 N ATOM 670 CA GLU A 43 3.453 3.032 -10.124 1.00 71.15 C ATOM 671 C GLU A 43 3.947 4.031 -9.059 1.00 22.35 C ATOM 672 O GLU A 43 4.942 4.720 -9.248 1.00 23.35 O ATOM 673 CB GLU A 43 2.057 3.453 -10.671 1.00 42.05 C ATOM 674 CG GLU A 43 2.054 4.764 -11.486 1.00 23.43 C ATOM 675 CD GLU A 43 2.885 4.660 -12.780 1.00 64.41 C ATOM 676 OE1 GLU A 43 2.367 4.132 -13.791 1.00 3.33 O ATOM 677 OE2 GLU A 43 4.058 5.085 -12.799 1.00 35.30 O ATOM 0 H GLU A 43 2.421 1.333 -9.452 1.00 31.34 H new ATOM 0 HA GLU A 43 4.162 3.030 -10.952 1.00 71.15 H new ATOM 0 HB2 GLU A 43 1.670 2.650 -11.298 1.00 42.05 H new ATOM 0 HB3 GLU A 43 1.370 3.561 -9.832 1.00 42.05 H new ATOM 0 HG2 GLU A 43 1.027 5.028 -11.738 1.00 23.43 H new ATOM 0 HG3 GLU A 43 2.448 5.572 -10.869 1.00 23.43 H new ATOM 684 N LEU A 44 3.242 4.029 -7.921 1.00 74.04 N ATOM 685 CA LEU A 44 3.509 4.875 -6.740 1.00 12.44 C ATOM 686 C LEU A 44 4.936 4.644 -6.184 1.00 11.13 C ATOM 687 O LEU A 44 5.579 5.579 -5.692 1.00 52.40 O ATOM 688 CB LEU A 44 2.370 4.583 -5.700 1.00 52.12 C ATOM 689 CG LEU A 44 2.543 5.035 -4.201 1.00 25.22 C ATOM 690 CD1 LEU A 44 1.174 5.343 -3.558 1.00 71.45 C ATOM 691 CD2 LEU A 44 3.270 3.952 -3.351 1.00 4.10 C ATOM 0 H LEU A 44 2.438 3.416 -7.787 1.00 74.04 H new ATOM 0 HA LEU A 44 3.492 5.934 -6.999 1.00 12.44 H new ATOM 0 HB2 LEU A 44 1.459 5.048 -6.077 1.00 52.12 H new ATOM 0 HB3 LEU A 44 2.201 3.506 -5.697 1.00 52.12 H new ATOM 0 HG LEU A 44 3.154 5.938 -4.214 1.00 25.22 H new ATOM 0 HD11 LEU A 44 1.320 5.653 -2.523 1.00 71.45 H new ATOM 0 HD12 LEU A 44 0.684 6.144 -4.111 1.00 71.45 H new ATOM 0 HD13 LEU A 44 0.550 4.450 -3.585 1.00 71.45 H new ATOM 0 HD21 LEU A 44 3.370 4.302 -2.324 1.00 4.10 H new ATOM 0 HD22 LEU A 44 2.691 3.029 -3.365 1.00 4.10 H new ATOM 0 HD23 LEU A 44 4.260 3.766 -3.768 1.00 4.10 H new ATOM 703 N LYS A 45 5.403 3.388 -6.297 1.00 3.11 N ATOM 704 CA LYS A 45 6.757 2.962 -5.892 1.00 3.13 C ATOM 705 C LYS A 45 7.846 3.744 -6.650 1.00 32.44 C ATOM 706 O LYS A 45 8.831 4.174 -6.049 1.00 13.35 O ATOM 707 CB LYS A 45 6.894 1.444 -6.147 1.00 22.22 C ATOM 708 CG LYS A 45 8.251 0.799 -5.786 1.00 33.14 C ATOM 709 CD LYS A 45 8.215 -0.740 -5.973 1.00 62.53 C ATOM 710 CE LYS A 45 7.897 -1.166 -7.426 1.00 4.13 C ATOM 711 NZ LYS A 45 7.582 -2.615 -7.535 1.00 73.52 N ATOM 0 H LYS A 45 4.842 2.627 -6.679 1.00 3.11 H new ATOM 0 HA LYS A 45 6.895 3.174 -4.832 1.00 3.13 H new ATOM 0 HB2 LYS A 45 6.114 0.933 -5.583 1.00 22.22 H new ATOM 0 HB3 LYS A 45 6.699 1.257 -7.203 1.00 22.22 H new ATOM 0 HG2 LYS A 45 9.035 1.225 -6.412 1.00 33.14 H new ATOM 0 HG3 LYS A 45 8.504 1.035 -4.753 1.00 33.14 H new ATOM 0 HD2 LYS A 45 9.178 -1.158 -5.680 1.00 62.53 H new ATOM 0 HD3 LYS A 45 7.466 -1.164 -5.304 1.00 62.53 H new ATOM 0 HE2 LYS A 45 7.053 -0.584 -7.796 1.00 4.13 H new ATOM 0 HE3 LYS A 45 8.749 -0.933 -8.065 1.00 4.13 H new ATOM 0 HZ1 LYS A 45 8.163 -3.041 -8.285 1.00 73.52 H new ATOM 0 HZ2 LYS A 45 7.788 -3.084 -6.630 1.00 73.52 H new ATOM 0 HZ3 LYS A 45 6.575 -2.735 -7.766 1.00 73.52 H new ATOM 725 N ASP A 46 7.629 3.935 -7.973 1.00 24.30 N ATOM 726 CA ASP A 46 8.563 4.657 -8.862 1.00 24.31 C ATOM 727 C ASP A 46 8.690 6.137 -8.444 1.00 32.31 C ATOM 728 O ASP A 46 9.754 6.734 -8.586 1.00 41.41 O ATOM 729 CB ASP A 46 8.092 4.553 -10.344 1.00 63.05 C ATOM 730 CG ASP A 46 9.104 5.138 -11.352 1.00 52.32 C ATOM 731 OD1 ASP A 46 9.984 4.380 -11.818 1.00 61.40 O ATOM 732 OD2 ASP A 46 9.051 6.353 -11.661 1.00 11.11 O ATOM 0 H ASP A 46 6.798 3.590 -8.453 1.00 24.30 H new ATOM 0 HA ASP A 46 9.545 4.192 -8.772 1.00 24.31 H new ATOM 0 HB2 ASP A 46 7.912 3.506 -10.588 1.00 63.05 H new ATOM 0 HB3 ASP A 46 7.140 5.074 -10.452 1.00 63.05 H new ATOM 737 N TYR A 47 7.585 6.699 -7.920 1.00 41.44 N ATOM 738 CA TYR A 47 7.487 8.119 -7.519 1.00 33.41 C ATOM 739 C TYR A 47 8.182 8.374 -6.169 1.00 1.04 C ATOM 740 O TYR A 47 8.826 9.413 -5.984 1.00 63.34 O ATOM 741 CB TYR A 47 5.991 8.549 -7.463 1.00 45.31 C ATOM 742 CG TYR A 47 5.325 8.703 -8.846 1.00 35.34 C ATOM 743 CD1 TYR A 47 5.350 7.671 -9.778 1.00 22.42 C ATOM 744 CD2 TYR A 47 4.696 9.891 -9.217 1.00 45.42 C ATOM 745 CE1 TYR A 47 4.772 7.809 -11.021 1.00 14.15 C ATOM 746 CE2 TYR A 47 4.118 10.037 -10.460 1.00 15.33 C ATOM 747 CZ TYR A 47 4.161 8.993 -11.359 1.00 45.45 C ATOM 748 OH TYR A 47 3.602 9.138 -12.611 1.00 35.33 O ATOM 0 H TYR A 47 6.724 6.176 -7.760 1.00 41.44 H new ATOM 0 HA TYR A 47 8.002 8.723 -8.266 1.00 33.41 H new ATOM 0 HB2 TYR A 47 5.434 7.812 -6.884 1.00 45.31 H new ATOM 0 HB3 TYR A 47 5.917 9.496 -6.929 1.00 45.31 H new ATOM 0 HD1 TYR A 47 5.834 6.740 -9.521 1.00 22.42 H new ATOM 0 HD2 TYR A 47 4.661 10.713 -8.517 1.00 45.42 H new ATOM 0 HE1 TYR A 47 4.799 6.991 -11.726 1.00 14.15 H new ATOM 0 HE2 TYR A 47 3.634 10.965 -10.728 1.00 15.33 H new ATOM 0 HH TYR A 47 3.209 10.032 -12.692 1.00 35.33 H new ATOM 758 N ILE A 48 8.038 7.418 -5.232 1.00 14.24 N ATOM 759 CA ILE A 48 8.711 7.461 -3.910 1.00 4.44 C ATOM 760 C ILE A 48 10.224 7.130 -4.069 1.00 60.34 C ATOM 761 O ILE A 48 11.057 7.486 -3.226 1.00 50.40 O ATOM 762 CB ILE A 48 7.999 6.484 -2.887 1.00 44.41 C ATOM 763 CG1 ILE A 48 6.485 6.866 -2.740 1.00 75.31 C ATOM 764 CG2 ILE A 48 8.705 6.469 -1.504 1.00 1.44 C ATOM 765 CD1 ILE A 48 5.696 6.041 -1.733 1.00 30.54 C ATOM 0 H ILE A 48 7.453 6.593 -5.365 1.00 14.24 H new ATOM 0 HA ILE A 48 8.630 8.469 -3.503 1.00 4.44 H new ATOM 0 HB ILE A 48 8.072 5.473 -3.289 1.00 44.41 H new ATOM 0 HG12 ILE A 48 6.419 7.916 -2.454 1.00 75.31 H new ATOM 0 HG13 ILE A 48 6.008 6.770 -3.715 1.00 75.31 H new ATOM 0 HG21 ILE A 48 8.182 5.785 -0.836 1.00 1.44 H new ATOM 0 HG22 ILE A 48 9.737 6.139 -1.626 1.00 1.44 H new ATOM 0 HG23 ILE A 48 8.693 7.472 -1.078 1.00 1.44 H new ATOM 0 HD11 ILE A 48 4.662 6.387 -1.710 1.00 30.54 H new ATOM 0 HD12 ILE A 48 5.721 4.991 -2.024 1.00 30.54 H new ATOM 0 HD13 ILE A 48 6.139 6.154 -0.743 1.00 30.54 H new ATOM 777 N LYS A 49 10.552 6.437 -5.167 1.00 45.03 N ATOM 778 CA LYS A 49 11.936 6.160 -5.573 1.00 54.30 C ATOM 779 C LYS A 49 12.572 7.407 -6.231 1.00 43.21 C ATOM 780 O LYS A 49 13.719 7.758 -5.938 1.00 62.00 O ATOM 781 CB LYS A 49 11.932 4.979 -6.567 1.00 54.33 C ATOM 782 CG LYS A 49 13.323 4.516 -7.057 1.00 52.15 C ATOM 783 CD LYS A 49 13.229 3.547 -8.256 1.00 4.42 C ATOM 784 CE LYS A 49 12.504 4.184 -9.461 1.00 41.40 C ATOM 785 NZ LYS A 49 12.395 3.254 -10.608 1.00 51.23 N ATOM 0 H LYS A 49 9.857 6.049 -5.805 1.00 45.03 H new ATOM 0 HA LYS A 49 12.528 5.905 -4.694 1.00 54.30 H new ATOM 0 HB2 LYS A 49 11.432 4.133 -6.096 1.00 54.33 H new ATOM 0 HB3 LYS A 49 11.335 5.260 -7.435 1.00 54.33 H new ATOM 0 HG2 LYS A 49 13.914 5.387 -7.342 1.00 52.15 H new ATOM 0 HG3 LYS A 49 13.850 4.027 -6.238 1.00 52.15 H new ATOM 0 HD2 LYS A 49 14.232 3.243 -8.556 1.00 4.42 H new ATOM 0 HD3 LYS A 49 12.700 2.644 -7.951 1.00 4.42 H new ATOM 0 HE2 LYS A 49 11.506 4.500 -9.156 1.00 41.40 H new ATOM 0 HE3 LYS A 49 13.041 5.080 -9.773 1.00 41.40 H new ATOM 0 HZ1 LYS A 49 11.553 3.493 -11.170 1.00 51.23 H new ATOM 0 HZ2 LYS A 49 13.244 3.336 -11.204 1.00 51.23 H new ATOM 0 HZ3 LYS A 49 12.311 2.278 -10.257 1.00 51.23 H new ATOM 799 N LYS A 50 11.808 8.078 -7.118 1.00 3.31 N ATOM 800 CA LYS A 50 12.308 9.215 -7.924 1.00 71.35 C ATOM 801 C LYS A 50 12.523 10.455 -7.046 1.00 52.24 C ATOM 802 O LYS A 50 13.514 11.176 -7.186 1.00 53.44 O ATOM 803 CB LYS A 50 11.320 9.530 -9.070 1.00 2.13 C ATOM 804 CG LYS A 50 11.825 10.578 -10.086 1.00 3.31 C ATOM 805 CD LYS A 50 10.814 10.848 -11.223 1.00 62.52 C ATOM 806 CE LYS A 50 10.451 9.580 -12.024 1.00 75.23 C ATOM 807 NZ LYS A 50 9.500 9.872 -13.123 1.00 11.41 N ATOM 0 H LYS A 50 10.830 7.849 -7.296 1.00 3.31 H new ATOM 0 HA LYS A 50 13.269 8.935 -8.355 1.00 71.35 H new ATOM 0 HB2 LYS A 50 11.096 8.606 -9.603 1.00 2.13 H new ATOM 0 HB3 LYS A 50 10.384 9.884 -8.638 1.00 2.13 H new ATOM 0 HG2 LYS A 50 12.035 11.511 -9.564 1.00 3.31 H new ATOM 0 HG3 LYS A 50 12.766 10.235 -10.517 1.00 3.31 H new ATOM 0 HD2 LYS A 50 9.905 11.275 -10.799 1.00 62.52 H new ATOM 0 HD3 LYS A 50 11.230 11.593 -11.902 1.00 62.52 H new ATOM 0 HE2 LYS A 50 11.359 9.140 -12.437 1.00 75.23 H new ATOM 0 HE3 LYS A 50 10.014 8.840 -11.353 1.00 75.23 H new ATOM 0 HZ1 LYS A 50 9.282 8.994 -13.636 1.00 11.41 H new ATOM 0 HZ2 LYS A 50 8.624 10.268 -12.728 1.00 11.41 H new ATOM 0 HZ3 LYS A 50 9.926 10.559 -13.778 1.00 11.41 H new ATOM 821 N GLN A 51 11.547 10.703 -6.167 1.00 64.05 N ATOM 822 CA GLN A 51 11.631 11.720 -5.117 1.00 13.04 C ATOM 823 C GLN A 51 12.060 11.008 -3.841 1.00 51.12 C ATOM 824 O GLN A 51 11.303 10.178 -3.339 1.00 72.12 O ATOM 825 CB GLN A 51 10.252 12.422 -4.931 1.00 34.04 C ATOM 826 CG GLN A 51 9.713 13.092 -6.209 1.00 72.05 C ATOM 827 CD GLN A 51 10.611 14.217 -6.729 1.00 34.22 C ATOM 828 OE1 GLN A 51 10.437 15.381 -6.372 1.00 34.43 O ATOM 829 NE2 GLN A 51 11.594 13.878 -7.544 1.00 4.31 N ATOM 0 H GLN A 51 10.663 10.194 -6.166 1.00 64.05 H new ATOM 0 HA GLN A 51 12.351 12.496 -5.379 1.00 13.04 H new ATOM 0 HB2 GLN A 51 9.526 11.687 -4.584 1.00 34.04 H new ATOM 0 HB3 GLN A 51 10.342 13.175 -4.148 1.00 34.04 H new ATOM 0 HG2 GLN A 51 9.601 12.337 -6.987 1.00 72.05 H new ATOM 0 HG3 GLN A 51 8.719 13.493 -6.009 1.00 72.05 H new ATOM 0 HE21 GLN A 51 11.713 12.904 -7.822 1.00 4.31 H new ATOM 0 HE22 GLN A 51 12.234 14.590 -7.895 1.00 4.31 H new ATOM 838 N GLY A 52 13.279 11.317 -3.349 1.00 54.12 N ATOM 839 CA GLY A 52 13.872 10.623 -2.201 1.00 24.32 C ATOM 840 C GLY A 52 13.119 10.869 -0.893 1.00 2.12 C ATOM 841 O GLY A 52 13.555 11.655 -0.039 1.00 15.04 O ATOM 0 H GLY A 52 13.871 12.051 -3.738 1.00 54.12 H new ATOM 0 HA2 GLY A 52 13.894 9.552 -2.404 1.00 24.32 H new ATOM 0 HA3 GLY A 52 14.906 10.947 -2.084 1.00 24.32 H new ATOM 845 N CYS A 53 11.981 10.174 -0.738 1.00 51.21 N ATOM 846 CA CYS A 53 11.119 10.285 0.430 1.00 54.05 C ATOM 847 C CYS A 53 11.688 9.416 1.554 1.00 74.53 C ATOM 848 O CYS A 53 11.461 8.200 1.581 1.00 24.12 O ATOM 849 CB CYS A 53 9.678 9.866 0.060 1.00 21.11 C ATOM 850 SG CYS A 53 9.006 10.771 -1.355 1.00 62.25 S ATOM 0 H CYS A 53 11.637 9.513 -1.434 1.00 51.21 H new ATOM 0 HA CYS A 53 11.083 11.318 0.777 1.00 54.05 H new ATOM 0 HB2 CYS A 53 9.664 8.799 -0.161 1.00 21.11 H new ATOM 0 HB3 CYS A 53 9.030 10.022 0.922 1.00 21.11 H new ATOM 0 HG CYS A 53 9.813 10.655 -2.367 1.00 62.25 H new ATOM 856 N LYS A 54 12.488 10.053 2.439 1.00 34.22 N ATOM 857 CA LYS A 54 13.143 9.382 3.581 1.00 74.35 C ATOM 858 C LYS A 54 12.100 8.728 4.506 1.00 31.44 C ATOM 859 O LYS A 54 12.357 7.694 5.134 1.00 61.22 O ATOM 860 CB LYS A 54 14.028 10.385 4.367 1.00 42.30 C ATOM 861 CG LYS A 54 15.096 11.102 3.497 1.00 40.11 C ATOM 862 CD LYS A 54 16.099 11.943 4.330 1.00 42.41 C ATOM 863 CE LYS A 54 16.964 11.071 5.260 1.00 22.11 C ATOM 864 NZ LYS A 54 18.009 11.853 5.972 1.00 23.24 N ATOM 0 H LYS A 54 12.697 11.050 2.380 1.00 34.22 H new ATOM 0 HA LYS A 54 13.785 8.593 3.190 1.00 74.35 H new ATOM 0 HB2 LYS A 54 13.386 11.136 4.828 1.00 42.30 H new ATOM 0 HB3 LYS A 54 14.530 9.854 5.176 1.00 42.30 H new ATOM 0 HG2 LYS A 54 15.646 10.357 2.922 1.00 40.11 H new ATOM 0 HG3 LYS A 54 14.594 11.752 2.780 1.00 40.11 H new ATOM 0 HD2 LYS A 54 16.746 12.504 3.656 1.00 42.41 H new ATOM 0 HD3 LYS A 54 15.551 12.672 4.926 1.00 42.41 H new ATOM 0 HE2 LYS A 54 16.322 10.580 5.991 1.00 22.11 H new ATOM 0 HE3 LYS A 54 17.440 10.284 4.675 1.00 22.11 H new ATOM 0 HZ1 LYS A 54 18.561 11.218 6.583 1.00 23.24 H new ATOM 0 HZ2 LYS A 54 18.640 12.301 5.278 1.00 23.24 H new ATOM 0 HZ3 LYS A 54 17.557 12.587 6.554 1.00 23.24 H new ATOM 878 N ARG A 55 10.920 9.359 4.566 1.00 32.34 N ATOM 879 CA ARG A 55 9.732 8.817 5.223 1.00 1.22 C ATOM 880 C ARG A 55 8.560 8.858 4.234 1.00 44.24 C ATOM 881 O ARG A 55 8.318 9.888 3.601 1.00 14.52 O ATOM 882 CB ARG A 55 9.404 9.613 6.513 1.00 4.13 C ATOM 883 CG ARG A 55 10.457 9.456 7.634 1.00 23.14 C ATOM 884 CD ARG A 55 10.148 10.314 8.860 1.00 22.50 C ATOM 885 NE ARG A 55 11.150 10.159 9.927 1.00 13.35 N ATOM 886 CZ ARG A 55 11.088 10.757 11.129 1.00 41.10 C ATOM 887 NH1 ARG A 55 10.070 11.561 11.442 1.00 43.23 N ATOM 888 NH2 ARG A 55 12.050 10.550 12.012 1.00 43.20 N ATOM 0 H ARG A 55 10.766 10.278 4.150 1.00 32.34 H new ATOM 0 HA ARG A 55 9.916 7.785 5.520 1.00 1.22 H new ATOM 0 HB2 ARG A 55 9.311 10.670 6.262 1.00 4.13 H new ATOM 0 HB3 ARG A 55 8.435 9.288 6.891 1.00 4.13 H new ATOM 0 HG2 ARG A 55 10.510 8.409 7.933 1.00 23.14 H new ATOM 0 HG3 ARG A 55 11.439 9.726 7.245 1.00 23.14 H new ATOM 0 HD2 ARG A 55 10.099 11.361 8.563 1.00 22.50 H new ATOM 0 HD3 ARG A 55 9.165 10.046 9.248 1.00 22.50 H new ATOM 0 HE ARG A 55 11.950 9.554 9.741 1.00 13.35 H new ATOM 0 HH11 ARG A 55 9.326 11.728 10.765 1.00 43.23 H new ATOM 0 HH12 ARG A 55 10.036 12.008 12.358 1.00 43.23 H new ATOM 0 HH21 ARG A 55 12.833 9.939 11.779 1.00 43.20 H new ATOM 0 HH22 ARG A 55 12.009 11.001 12.926 1.00 43.20 H new ATOM 902 N SER A 56 7.866 7.726 4.088 1.00 34.04 N ATOM 903 CA SER A 56 6.696 7.590 3.211 1.00 24.43 C ATOM 904 C SER A 56 5.628 6.756 3.930 1.00 71.22 C ATOM 905 O SER A 56 5.915 5.638 4.363 1.00 32.11 O ATOM 906 CB SER A 56 7.113 6.929 1.875 1.00 32.11 C ATOM 907 OG SER A 56 7.776 5.685 2.076 1.00 2.41 O ATOM 0 H SER A 56 8.103 6.865 4.582 1.00 34.04 H new ATOM 0 HA SER A 56 6.282 8.573 2.984 1.00 24.43 H new ATOM 0 HB2 SER A 56 6.229 6.772 1.257 1.00 32.11 H new ATOM 0 HB3 SER A 56 7.769 7.604 1.326 1.00 32.11 H new ATOM 0 HG SER A 56 7.176 5.066 2.542 1.00 2.41 H new ATOM 913 N ARG A 57 4.413 7.297 4.062 1.00 21.13 N ATOM 914 CA ARG A 57 3.304 6.619 4.751 1.00 13.13 C ATOM 915 C ARG A 57 2.238 6.200 3.729 1.00 74.40 C ATOM 916 O ARG A 57 1.554 7.057 3.180 1.00 71.22 O ATOM 917 CB ARG A 57 2.679 7.575 5.811 1.00 70.44 C ATOM 918 CG ARG A 57 1.527 6.946 6.628 1.00 44.21 C ATOM 919 CD ARG A 57 0.785 7.954 7.525 1.00 63.04 C ATOM 920 NE ARG A 57 -0.253 7.291 8.336 1.00 63.14 N ATOM 921 CZ ARG A 57 -1.578 7.289 8.080 1.00 71.51 C ATOM 922 NH1 ARG A 57 -2.081 7.933 7.026 1.00 10.12 N ATOM 923 NH2 ARG A 57 -2.392 6.635 8.891 1.00 62.03 N ATOM 0 H ARG A 57 4.168 8.217 3.695 1.00 21.13 H new ATOM 0 HA ARG A 57 3.683 5.730 5.255 1.00 13.13 H new ATOM 0 HB2 ARG A 57 3.461 7.900 6.497 1.00 70.44 H new ATOM 0 HB3 ARG A 57 2.307 8.466 5.306 1.00 70.44 H new ATOM 0 HG2 ARG A 57 0.814 6.489 5.942 1.00 44.21 H new ATOM 0 HG3 ARG A 57 1.929 6.146 7.250 1.00 44.21 H new ATOM 0 HD2 ARG A 57 1.498 8.453 8.181 1.00 63.04 H new ATOM 0 HD3 ARG A 57 0.327 8.726 6.906 1.00 63.04 H new ATOM 0 HE ARG A 57 0.059 6.788 9.167 1.00 63.14 H new ATOM 0 HH11 ARG A 57 -1.461 8.440 6.395 1.00 10.12 H new ATOM 0 HH12 ARG A 57 -3.086 7.918 6.851 1.00 10.12 H new ATOM 0 HH21 ARG A 57 -2.017 6.139 9.700 1.00 62.03 H new ATOM 0 HH22 ARG A 57 -3.395 6.626 8.708 1.00 62.03 H new ATOM 937 N THR A 58 2.098 4.888 3.476 1.00 4.21 N ATOM 938 CA THR A 58 1.029 4.357 2.607 1.00 14.34 C ATOM 939 C THR A 58 -0.010 3.608 3.465 1.00 24.50 C ATOM 940 O THR A 58 0.318 2.614 4.124 1.00 71.35 O ATOM 941 CB THR A 58 1.602 3.414 1.498 1.00 43.20 C ATOM 942 OG1 THR A 58 2.643 4.094 0.775 1.00 63.51 O ATOM 943 CG2 THR A 58 0.513 2.963 0.502 1.00 3.34 C ATOM 0 H THR A 58 2.713 4.172 3.862 1.00 4.21 H new ATOM 0 HA THR A 58 0.549 5.197 2.104 1.00 14.34 H new ATOM 0 HB THR A 58 1.996 2.528 1.995 1.00 43.20 H new ATOM 0 HG1 THR A 58 3.481 4.041 1.281 1.00 63.51 H new ATOM 0 HG21 THR A 58 0.956 2.310 -0.250 1.00 3.34 H new ATOM 0 HG22 THR A 58 -0.268 2.423 1.037 1.00 3.34 H new ATOM 0 HG23 THR A 58 0.081 3.837 0.015 1.00 3.34 H new ATOM 951 N SER A 59 -1.247 4.118 3.466 1.00 3.51 N ATOM 952 CA SER A 59 -2.374 3.540 4.212 1.00 40.41 C ATOM 953 C SER A 59 -3.447 3.039 3.219 1.00 10.34 C ATOM 954 O SER A 59 -3.944 3.809 2.398 1.00 52.33 O ATOM 955 CB SER A 59 -2.947 4.606 5.180 1.00 70.32 C ATOM 956 OG SER A 59 -3.302 5.797 4.504 1.00 34.13 O ATOM 0 H SER A 59 -1.498 4.956 2.941 1.00 3.51 H new ATOM 0 HA SER A 59 -2.039 2.688 4.804 1.00 40.41 H new ATOM 0 HB2 SER A 59 -3.823 4.202 5.687 1.00 70.32 H new ATOM 0 HB3 SER A 59 -2.209 4.832 5.949 1.00 70.32 H new ATOM 0 HG SER A 59 -2.870 5.815 3.625 1.00 34.13 H new ATOM 962 N ILE A 60 -3.770 1.740 3.291 1.00 21.05 N ATOM 963 CA ILE A 60 -4.731 1.067 2.390 1.00 14.11 C ATOM 964 C ILE A 60 -5.865 0.437 3.221 1.00 20.11 C ATOM 965 O ILE A 60 -5.624 -0.032 4.343 1.00 54.24 O ATOM 966 CB ILE A 60 -3.992 -0.038 1.537 1.00 15.13 C ATOM 967 CG1 ILE A 60 -2.957 0.618 0.570 1.00 73.32 C ATOM 968 CG2 ILE A 60 -4.974 -0.952 0.764 1.00 21.42 C ATOM 969 CD1 ILE A 60 -2.209 -0.363 -0.310 1.00 61.33 C ATOM 0 H ILE A 60 -3.367 1.112 3.987 1.00 21.05 H new ATOM 0 HA ILE A 60 -5.159 1.801 1.707 1.00 14.11 H new ATOM 0 HB ILE A 60 -3.460 -0.680 2.239 1.00 15.13 H new ATOM 0 HG12 ILE A 60 -3.477 1.334 -0.066 1.00 73.32 H new ATOM 0 HG13 ILE A 60 -2.234 1.182 1.160 1.00 73.32 H new ATOM 0 HG21 ILE A 60 -4.411 -1.692 0.195 1.00 21.42 H new ATOM 0 HG22 ILE A 60 -5.631 -1.460 1.470 1.00 21.42 H new ATOM 0 HG23 ILE A 60 -5.572 -0.348 0.081 1.00 21.42 H new ATOM 0 HD11 ILE A 60 -1.512 0.179 -0.949 1.00 61.33 H new ATOM 0 HD12 ILE A 60 -1.657 -1.065 0.315 1.00 61.33 H new ATOM 0 HD13 ILE A 60 -2.919 -0.910 -0.930 1.00 61.33 H new ATOM 981 N THR A 61 -7.098 0.438 2.673 1.00 55.33 N ATOM 982 CA THR A 61 -8.267 -0.151 3.336 1.00 51.32 C ATOM 983 C THR A 61 -8.172 -1.685 3.367 1.00 33.40 C ATOM 984 O THR A 61 -8.140 -2.336 2.318 1.00 71.41 O ATOM 985 CB THR A 61 -9.597 0.281 2.641 1.00 43.54 C ATOM 986 OG1 THR A 61 -9.634 1.707 2.525 1.00 1.21 O ATOM 987 CG2 THR A 61 -10.837 -0.186 3.424 1.00 62.53 C ATOM 0 H THR A 61 -7.305 0.847 1.762 1.00 55.33 H new ATOM 0 HA THR A 61 -8.275 0.223 4.360 1.00 51.32 H new ATOM 0 HB THR A 61 -9.620 -0.188 1.657 1.00 43.54 H new ATOM 0 HG1 THR A 61 -8.858 2.014 2.011 1.00 1.21 H new ATOM 0 HG21 THR A 61 -11.739 0.137 2.904 1.00 62.53 H new ATOM 0 HG22 THR A 61 -10.831 -1.273 3.500 1.00 62.53 H new ATOM 0 HG23 THR A 61 -10.820 0.247 4.424 1.00 62.53 H new ATOM 995 N ALA A 62 -8.112 -2.235 4.583 1.00 33.52 N ATOM 996 CA ALA A 62 -8.109 -3.674 4.832 1.00 63.31 C ATOM 997 C ALA A 62 -8.934 -3.927 6.095 1.00 64.51 C ATOM 998 O ALA A 62 -8.384 -4.065 7.195 1.00 41.23 O ATOM 999 CB ALA A 62 -6.668 -4.193 4.965 1.00 34.41 C ATOM 0 H ALA A 62 -8.063 -1.679 5.437 1.00 33.52 H new ATOM 0 HA ALA A 62 -8.554 -4.216 3.998 1.00 63.31 H new ATOM 0 HB1 ALA A 62 -6.684 -5.267 5.150 1.00 34.41 H new ATOM 0 HB2 ALA A 62 -6.122 -3.992 4.043 1.00 34.41 H new ATOM 0 HB3 ALA A 62 -6.175 -3.689 5.796 1.00 34.41 H new ATOM 1005 N ARG A 63 -10.278 -3.910 5.931 1.00 33.21 N ATOM 1006 CA ARG A 63 -11.211 -3.995 7.074 1.00 2.33 C ATOM 1007 C ARG A 63 -11.278 -5.428 7.625 1.00 22.31 C ATOM 1008 O ARG A 63 -11.577 -5.643 8.801 1.00 2.53 O ATOM 1009 CB ARG A 63 -12.640 -3.458 6.732 1.00 24.32 C ATOM 1010 CG ARG A 63 -13.572 -4.365 5.884 1.00 41.12 C ATOM 1011 CD ARG A 63 -13.224 -4.415 4.393 1.00 13.21 C ATOM 1012 NE ARG A 63 -13.471 -3.142 3.700 1.00 2.13 N ATOM 1013 CZ ARG A 63 -13.046 -2.841 2.460 1.00 63.11 C ATOM 1014 NH1 ARG A 63 -12.335 -3.698 1.742 1.00 44.12 N ATOM 1015 NH2 ARG A 63 -13.343 -1.673 1.943 1.00 33.34 N ATOM 0 H ARG A 63 -10.736 -3.839 5.022 1.00 33.21 H new ATOM 0 HA ARG A 63 -10.812 -3.343 7.851 1.00 2.33 H new ATOM 0 HB2 ARG A 63 -13.149 -3.240 7.671 1.00 24.32 H new ATOM 0 HB3 ARG A 63 -12.524 -2.511 6.205 1.00 24.32 H new ATOM 0 HG2 ARG A 63 -13.537 -5.377 6.286 1.00 41.12 H new ATOM 0 HG3 ARG A 63 -14.598 -4.013 5.993 1.00 41.12 H new ATOM 0 HD2 ARG A 63 -12.174 -4.686 4.280 1.00 13.21 H new ATOM 0 HD3 ARG A 63 -13.809 -5.201 3.916 1.00 13.21 H new ATOM 0 HE ARG A 63 -14.007 -2.432 4.199 1.00 2.13 H new ATOM 0 HH11 ARG A 63 -12.097 -4.612 2.127 1.00 44.12 H new ATOM 0 HH12 ARG A 63 -12.025 -3.444 0.804 1.00 44.12 H new ATOM 0 HH21 ARG A 63 -13.892 -1.002 2.481 1.00 33.34 H new ATOM 0 HH22 ARG A 63 -13.025 -1.436 1.003 1.00 33.34 H new ATOM 1029 N THR A 64 -11.019 -6.397 6.745 1.00 33.41 N ATOM 1030 CA THR A 64 -10.934 -7.826 7.107 1.00 31.03 C ATOM 1031 C THR A 64 -9.462 -8.278 7.196 1.00 31.11 C ATOM 1032 O THR A 64 -8.562 -7.624 6.644 1.00 1.34 O ATOM 1033 CB THR A 64 -11.721 -8.712 6.091 1.00 11.55 C ATOM 1034 OG1 THR A 64 -11.127 -8.635 4.796 1.00 52.25 O ATOM 1035 CG2 THR A 64 -13.196 -8.288 5.995 1.00 44.54 C ATOM 0 H THR A 64 -10.860 -6.218 5.753 1.00 33.41 H new ATOM 0 HA THR A 64 -11.393 -7.951 8.088 1.00 31.03 H new ATOM 0 HB THR A 64 -11.677 -9.738 6.456 1.00 11.55 H new ATOM 0 HG1 THR A 64 -11.084 -7.698 4.511 1.00 52.25 H new ATOM 0 HG21 THR A 64 -13.712 -8.927 5.278 1.00 44.54 H new ATOM 0 HG22 THR A 64 -13.667 -8.385 6.973 1.00 44.54 H new ATOM 0 HG23 THR A 64 -13.256 -7.251 5.665 1.00 44.54 H new ATOM 1043 N LYS A 65 -9.240 -9.423 7.865 1.00 21.43 N ATOM 1044 CA LYS A 65 -7.896 -9.899 8.234 1.00 51.10 C ATOM 1045 C LYS A 65 -7.141 -10.530 7.042 1.00 32.33 C ATOM 1046 O LYS A 65 -5.912 -10.480 7.003 1.00 12.01 O ATOM 1047 CB LYS A 65 -7.992 -10.894 9.426 1.00 73.50 C ATOM 1048 CG LYS A 65 -8.643 -12.261 9.103 1.00 13.25 C ATOM 1049 CD LYS A 65 -8.810 -13.165 10.344 1.00 70.05 C ATOM 1050 CE LYS A 65 -7.477 -13.514 11.028 1.00 0.14 C ATOM 1051 NZ LYS A 65 -7.674 -14.399 12.202 1.00 32.44 N ATOM 0 H LYS A 65 -9.990 -10.046 8.166 1.00 21.43 H new ATOM 0 HA LYS A 65 -7.314 -9.030 8.540 1.00 51.10 H new ATOM 0 HB2 LYS A 65 -6.987 -11.071 9.810 1.00 73.50 H new ATOM 0 HB3 LYS A 65 -8.560 -10.421 10.227 1.00 73.50 H new ATOM 0 HG2 LYS A 65 -9.620 -12.093 8.650 1.00 13.25 H new ATOM 0 HG3 LYS A 65 -8.034 -12.780 8.363 1.00 13.25 H new ATOM 0 HD2 LYS A 65 -9.459 -12.666 11.063 1.00 70.05 H new ATOM 0 HD3 LYS A 65 -9.311 -14.087 10.048 1.00 70.05 H new ATOM 0 HE2 LYS A 65 -6.818 -14.003 10.311 1.00 0.14 H new ATOM 0 HE3 LYS A 65 -6.980 -12.597 11.344 1.00 0.14 H new ATOM 0 HZ1 LYS A 65 -6.753 -14.611 12.635 1.00 32.44 H new ATOM 0 HZ2 LYS A 65 -8.282 -13.922 12.898 1.00 32.44 H new ATOM 0 HZ3 LYS A 65 -8.125 -15.285 11.897 1.00 32.44 H new ATOM 1065 N LYS A 66 -7.881 -11.115 6.078 1.00 30.23 N ATOM 1066 CA LYS A 66 -7.283 -11.720 4.862 1.00 21.43 C ATOM 1067 C LYS A 66 -6.711 -10.621 3.949 1.00 35.21 C ATOM 1068 O LYS A 66 -5.607 -10.760 3.399 1.00 74.32 O ATOM 1069 CB LYS A 66 -8.337 -12.565 4.110 1.00 64.45 C ATOM 1070 CG LYS A 66 -8.890 -13.754 4.925 1.00 15.23 C ATOM 1071 CD LYS A 66 -10.062 -14.462 4.200 1.00 21.44 C ATOM 1072 CE LYS A 66 -10.660 -15.616 5.014 1.00 64.34 C ATOM 1073 NZ LYS A 66 -11.825 -16.235 4.325 1.00 41.21 N ATOM 0 H LYS A 66 -8.898 -11.183 6.115 1.00 30.23 H new ATOM 0 HA LYS A 66 -6.467 -12.378 5.160 1.00 21.43 H new ATOM 0 HB2 LYS A 66 -9.166 -11.919 3.822 1.00 64.45 H new ATOM 0 HB3 LYS A 66 -7.893 -12.944 3.189 1.00 64.45 H new ATOM 0 HG2 LYS A 66 -8.090 -14.472 5.107 1.00 15.23 H new ATOM 0 HG3 LYS A 66 -9.228 -13.400 5.899 1.00 15.23 H new ATOM 0 HD2 LYS A 66 -10.843 -13.733 3.986 1.00 21.44 H new ATOM 0 HD3 LYS A 66 -9.711 -14.844 3.241 1.00 21.44 H new ATOM 0 HE2 LYS A 66 -9.895 -16.373 5.186 1.00 64.34 H new ATOM 0 HE3 LYS A 66 -10.970 -15.248 5.992 1.00 64.34 H new ATOM 0 HZ1 LYS A 66 -12.201 -17.011 4.907 1.00 41.21 H new ATOM 0 HZ2 LYS A 66 -12.565 -15.519 4.183 1.00 41.21 H new ATOM 0 HZ3 LYS A 66 -11.524 -16.609 3.402 1.00 41.21 H new ATOM 1087 N GLU A 67 -7.486 -9.526 3.802 1.00 33.34 N ATOM 1088 CA GLU A 67 -7.034 -8.312 3.104 1.00 5.42 C ATOM 1089 C GLU A 67 -5.788 -7.744 3.790 1.00 54.45 C ATOM 1090 O GLU A 67 -4.837 -7.332 3.127 1.00 1.04 O ATOM 1091 CB GLU A 67 -8.135 -7.243 3.095 1.00 1.32 C ATOM 1092 CG GLU A 67 -9.383 -7.591 2.271 1.00 62.24 C ATOM 1093 CD GLU A 67 -10.461 -6.505 2.367 1.00 54.42 C ATOM 1094 OE1 GLU A 67 -10.663 -5.963 3.474 1.00 60.14 O ATOM 1095 OE2 GLU A 67 -11.135 -6.219 1.356 1.00 73.54 O ATOM 0 H GLU A 67 -8.438 -9.462 4.163 1.00 33.34 H new ATOM 0 HA GLU A 67 -6.797 -8.584 2.075 1.00 5.42 H new ATOM 0 HB2 GLU A 67 -8.441 -7.052 4.124 1.00 1.32 H new ATOM 0 HB3 GLU A 67 -7.713 -6.314 2.710 1.00 1.32 H new ATOM 0 HG2 GLU A 67 -9.100 -7.729 1.227 1.00 62.24 H new ATOM 0 HG3 GLU A 67 -9.793 -8.539 2.618 1.00 62.24 H new ATOM 1102 N ALA A 68 -5.825 -7.739 5.138 1.00 50.34 N ATOM 1103 CA ALA A 68 -4.716 -7.277 5.970 1.00 41.04 C ATOM 1104 C ALA A 68 -3.428 -8.054 5.689 1.00 73.13 C ATOM 1105 O ALA A 68 -2.354 -7.469 5.708 1.00 52.30 O ATOM 1106 CB ALA A 68 -5.088 -7.367 7.450 1.00 60.01 C ATOM 0 H ALA A 68 -6.632 -8.058 5.674 1.00 50.34 H new ATOM 0 HA ALA A 68 -4.526 -6.234 5.716 1.00 41.04 H new ATOM 0 HB1 ALA A 68 -4.252 -7.020 8.057 1.00 60.01 H new ATOM 0 HB2 ALA A 68 -5.961 -6.744 7.644 1.00 60.01 H new ATOM 0 HB3 ALA A 68 -5.316 -8.402 7.705 1.00 60.01 H new ATOM 1112 N GLU A 69 -3.551 -9.370 5.420 1.00 1.11 N ATOM 1113 CA GLU A 69 -2.395 -10.223 5.098 1.00 44.04 C ATOM 1114 C GLU A 69 -1.785 -9.841 3.742 1.00 30.04 C ATOM 1115 O GLU A 69 -0.589 -9.537 3.654 1.00 22.33 O ATOM 1116 CB GLU A 69 -2.784 -11.731 5.099 1.00 74.22 C ATOM 1117 CG GLU A 69 -3.298 -12.274 6.445 1.00 12.22 C ATOM 1118 CD GLU A 69 -2.310 -12.061 7.609 1.00 72.44 C ATOM 1119 OE1 GLU A 69 -1.357 -12.859 7.757 1.00 11.33 O ATOM 1120 OE2 GLU A 69 -2.461 -11.080 8.369 1.00 4.03 O ATOM 0 H GLU A 69 -4.444 -9.864 5.420 1.00 1.11 H new ATOM 0 HA GLU A 69 -1.649 -10.059 5.875 1.00 44.04 H new ATOM 0 HB2 GLU A 69 -3.553 -11.892 4.343 1.00 74.22 H new ATOM 0 HB3 GLU A 69 -1.914 -12.315 4.798 1.00 74.22 H new ATOM 0 HG2 GLU A 69 -4.243 -11.788 6.687 1.00 12.22 H new ATOM 0 HG3 GLU A 69 -3.504 -13.340 6.344 1.00 12.22 H new ATOM 1127 N LYS A 70 -2.629 -9.849 2.692 1.00 54.22 N ATOM 1128 CA LYS A 70 -2.167 -9.704 1.300 1.00 51.40 C ATOM 1129 C LYS A 70 -1.654 -8.280 1.001 1.00 64.41 C ATOM 1130 O LYS A 70 -0.578 -8.135 0.430 1.00 11.21 O ATOM 1131 CB LYS A 70 -3.275 -10.146 0.311 1.00 3.01 C ATOM 1132 CG LYS A 70 -4.602 -9.370 0.399 1.00 14.21 C ATOM 1133 CD LYS A 70 -5.731 -10.019 -0.435 1.00 53.52 C ATOM 1134 CE LYS A 70 -5.410 -10.108 -1.939 1.00 71.23 C ATOM 1135 NZ LYS A 70 -6.535 -10.721 -2.692 1.00 41.12 N ATOM 0 H LYS A 70 -3.639 -9.955 2.784 1.00 54.22 H new ATOM 0 HA LYS A 70 -1.312 -10.366 1.162 1.00 51.40 H new ATOM 0 HB2 LYS A 70 -2.888 -10.052 -0.704 1.00 3.01 H new ATOM 0 HB3 LYS A 70 -3.483 -11.203 0.477 1.00 3.01 H new ATOM 0 HG2 LYS A 70 -4.915 -9.311 1.442 1.00 14.21 H new ATOM 0 HG3 LYS A 70 -4.444 -8.348 0.055 1.00 14.21 H new ATOM 0 HD2 LYS A 70 -5.924 -11.021 -0.053 1.00 53.52 H new ATOM 0 HD3 LYS A 70 -6.648 -9.445 -0.300 1.00 53.52 H new ATOM 0 HE2 LYS A 70 -5.207 -9.111 -2.330 1.00 71.23 H new ATOM 0 HE3 LYS A 70 -4.506 -10.698 -2.086 1.00 71.23 H new ATOM 0 HZ1 LYS A 70 -6.807 -10.097 -3.479 1.00 41.12 H new ATOM 0 HZ2 LYS A 70 -6.239 -11.644 -3.068 1.00 41.12 H new ATOM 0 HZ3 LYS A 70 -7.348 -10.851 -2.057 1.00 41.12 H new ATOM 1149 N PHE A 71 -2.407 -7.242 1.431 1.00 2.13 N ATOM 1150 CA PHE A 71 -2.043 -5.828 1.178 1.00 73.35 C ATOM 1151 C PHE A 71 -0.757 -5.462 1.923 1.00 60.51 C ATOM 1152 O PHE A 71 0.092 -4.760 1.376 1.00 14.40 O ATOM 1153 CB PHE A 71 -3.200 -4.862 1.570 1.00 73.01 C ATOM 1154 CG PHE A 71 -4.511 -5.054 0.795 1.00 32.41 C ATOM 1155 CD1 PHE A 71 -4.543 -5.682 -0.458 1.00 54.44 C ATOM 1156 CD2 PHE A 71 -5.720 -4.598 1.326 1.00 12.54 C ATOM 1157 CE1 PHE A 71 -5.732 -5.845 -1.139 1.00 71.22 C ATOM 1158 CE2 PHE A 71 -6.904 -4.763 0.637 1.00 75.32 C ATOM 1159 CZ PHE A 71 -6.911 -5.384 -0.590 1.00 3.31 C ATOM 0 H PHE A 71 -3.273 -7.357 1.957 1.00 2.13 H new ATOM 0 HA PHE A 71 -1.868 -5.716 0.108 1.00 73.35 H new ATOM 0 HB2 PHE A 71 -3.406 -4.982 2.634 1.00 73.01 H new ATOM 0 HB3 PHE A 71 -2.859 -3.837 1.425 1.00 73.01 H new ATOM 0 HD1 PHE A 71 -3.624 -6.043 -0.896 1.00 54.44 H new ATOM 0 HD2 PHE A 71 -5.728 -4.110 2.289 1.00 12.54 H new ATOM 0 HE1 PHE A 71 -5.740 -6.334 -2.102 1.00 71.22 H new ATOM 0 HE2 PHE A 71 -7.829 -4.403 1.063 1.00 75.32 H new ATOM 0 HZ PHE A 71 -7.841 -5.511 -1.125 1.00 3.31 H new ATOM 1169 N ALA A 72 -0.616 -5.982 3.165 1.00 73.31 N ATOM 1170 CA ALA A 72 0.595 -5.791 3.974 1.00 60.30 C ATOM 1171 C ALA A 72 1.811 -6.409 3.279 1.00 74.20 C ATOM 1172 O ALA A 72 2.845 -5.766 3.183 1.00 14.22 O ATOM 1173 CB ALA A 72 0.425 -6.389 5.370 1.00 14.14 C ATOM 0 H ALA A 72 -1.336 -6.540 3.625 1.00 73.31 H new ATOM 0 HA ALA A 72 0.759 -4.719 4.080 1.00 60.30 H new ATOM 0 HB1 ALA A 72 1.337 -6.233 5.946 1.00 14.14 H new ATOM 0 HB2 ALA A 72 -0.411 -5.904 5.874 1.00 14.14 H new ATOM 0 HB3 ALA A 72 0.227 -7.458 5.286 1.00 14.14 H new ATOM 1179 N ALA A 73 1.652 -7.646 2.768 1.00 60.02 N ATOM 1180 CA ALA A 73 2.732 -8.380 2.088 1.00 64.34 C ATOM 1181 C ALA A 73 3.271 -7.580 0.883 1.00 1.14 C ATOM 1182 O ALA A 73 4.486 -7.411 0.741 1.00 62.30 O ATOM 1183 CB ALA A 73 2.232 -9.772 1.653 1.00 71.10 C ATOM 0 H ALA A 73 0.773 -8.161 2.816 1.00 60.02 H new ATOM 0 HA ALA A 73 3.557 -8.513 2.788 1.00 64.34 H new ATOM 0 HB1 ALA A 73 3.038 -10.307 1.151 1.00 71.10 H new ATOM 0 HB2 ALA A 73 1.914 -10.335 2.530 1.00 71.10 H new ATOM 0 HB3 ALA A 73 1.390 -9.659 0.970 1.00 71.10 H new ATOM 1189 N ILE A 74 2.340 -7.048 0.067 1.00 10.44 N ATOM 1190 CA ILE A 74 2.659 -6.264 -1.141 1.00 61.31 C ATOM 1191 C ILE A 74 3.348 -4.932 -0.756 1.00 62.41 C ATOM 1192 O ILE A 74 4.323 -4.543 -1.393 1.00 11.42 O ATOM 1193 CB ILE A 74 1.355 -5.979 -1.988 1.00 11.30 C ATOM 1194 CG1 ILE A 74 0.620 -7.315 -2.345 1.00 71.20 C ATOM 1195 CG2 ILE A 74 1.680 -5.176 -3.275 1.00 75.55 C ATOM 1196 CD1 ILE A 74 -0.798 -7.144 -2.885 1.00 60.25 C ATOM 0 H ILE A 74 1.338 -7.151 0.229 1.00 10.44 H new ATOM 0 HA ILE A 74 3.345 -6.850 -1.753 1.00 61.31 H new ATOM 0 HB ILE A 74 0.690 -5.372 -1.374 1.00 11.30 H new ATOM 0 HG12 ILE A 74 1.213 -7.852 -3.085 1.00 71.20 H new ATOM 0 HG13 ILE A 74 0.581 -7.941 -1.453 1.00 71.20 H new ATOM 0 HG21 ILE A 74 0.761 -4.997 -3.834 1.00 75.55 H new ATOM 0 HG22 ILE A 74 2.132 -4.222 -3.004 1.00 75.55 H new ATOM 0 HG23 ILE A 74 2.376 -5.744 -3.892 1.00 75.55 H new ATOM 0 HD11 ILE A 74 -1.225 -8.123 -3.103 1.00 60.25 H new ATOM 0 HD12 ILE A 74 -1.412 -6.638 -2.140 1.00 60.25 H new ATOM 0 HD13 ILE A 74 -0.770 -6.549 -3.798 1.00 60.25 H new ATOM 1208 N LEU A 75 2.842 -4.272 0.311 1.00 5.35 N ATOM 1209 CA LEU A 75 3.377 -2.980 0.802 1.00 61.13 C ATOM 1210 C LEU A 75 4.799 -3.122 1.359 1.00 15.33 C ATOM 1211 O LEU A 75 5.646 -2.259 1.124 1.00 35.13 O ATOM 1212 CB LEU A 75 2.436 -2.361 1.878 1.00 51.34 C ATOM 1213 CG LEU A 75 1.122 -1.720 1.346 1.00 33.15 C ATOM 1214 CD1 LEU A 75 0.241 -1.203 2.505 1.00 43.23 C ATOM 1215 CD2 LEU A 75 1.432 -0.607 0.327 1.00 43.12 C ATOM 0 H LEU A 75 2.052 -4.619 0.856 1.00 5.35 H new ATOM 0 HA LEU A 75 3.422 -2.308 -0.055 1.00 61.13 H new ATOM 0 HB2 LEU A 75 2.173 -3.140 2.594 1.00 51.34 H new ATOM 0 HB3 LEU A 75 2.993 -1.600 2.425 1.00 51.34 H new ATOM 0 HG LEU A 75 0.552 -2.493 0.830 1.00 33.15 H new ATOM 0 HD11 LEU A 75 -0.670 -0.761 2.101 1.00 43.23 H new ATOM 0 HD12 LEU A 75 -0.019 -2.033 3.162 1.00 43.23 H new ATOM 0 HD13 LEU A 75 0.789 -0.450 3.071 1.00 43.23 H new ATOM 0 HD21 LEU A 75 0.499 -0.172 -0.032 1.00 43.12 H new ATOM 0 HD22 LEU A 75 2.033 0.167 0.805 1.00 43.12 H new ATOM 0 HD23 LEU A 75 1.984 -1.027 -0.514 1.00 43.12 H new ATOM 1227 N ILE A 76 5.044 -4.223 2.092 1.00 51.21 N ATOM 1228 CA ILE A 76 6.373 -4.547 2.628 1.00 21.23 C ATOM 1229 C ILE A 76 7.349 -4.762 1.455 1.00 2.51 C ATOM 1230 O ILE A 76 8.485 -4.303 1.519 1.00 61.42 O ATOM 1231 CB ILE A 76 6.324 -5.800 3.621 1.00 51.02 C ATOM 1232 CG1 ILE A 76 5.967 -5.367 5.091 1.00 42.33 C ATOM 1233 CG2 ILE A 76 7.654 -6.608 3.630 1.00 60.03 C ATOM 1234 CD1 ILE A 76 4.703 -4.552 5.277 1.00 53.34 C ATOM 0 H ILE A 76 4.327 -4.909 2.327 1.00 51.21 H new ATOM 0 HA ILE A 76 6.732 -3.712 3.229 1.00 21.23 H new ATOM 0 HB ILE A 76 5.535 -6.447 3.238 1.00 51.02 H new ATOM 0 HG12 ILE A 76 5.883 -6.268 5.699 1.00 42.33 H new ATOM 0 HG13 ILE A 76 6.803 -4.792 5.488 1.00 42.33 H new ATOM 0 HG21 ILE A 76 7.566 -7.447 4.321 1.00 60.03 H new ATOM 0 HG22 ILE A 76 7.858 -6.983 2.627 1.00 60.03 H new ATOM 0 HG23 ILE A 76 8.471 -5.960 3.948 1.00 60.03 H new ATOM 0 HD11 ILE A 76 4.572 -4.319 6.334 1.00 53.34 H new ATOM 0 HD12 ILE A 76 4.781 -3.625 4.708 1.00 53.34 H new ATOM 0 HD13 ILE A 76 3.846 -5.124 4.923 1.00 53.34 H new ATOM 1246 N LYS A 77 6.862 -5.418 0.371 1.00 5.14 N ATOM 1247 CA LYS A 77 7.651 -5.627 -0.864 1.00 1.01 C ATOM 1248 C LYS A 77 7.976 -4.297 -1.576 1.00 22.33 C ATOM 1249 O LYS A 77 9.090 -4.128 -2.062 1.00 20.54 O ATOM 1250 CB LYS A 77 6.927 -6.582 -1.845 1.00 74.33 C ATOM 1251 CG LYS A 77 6.801 -8.044 -1.358 1.00 73.43 C ATOM 1252 CD LYS A 77 6.180 -8.958 -2.439 1.00 34.42 C ATOM 1253 CE LYS A 77 7.069 -9.071 -3.699 1.00 75.34 C ATOM 1254 NZ LYS A 77 6.421 -9.846 -4.782 1.00 12.20 N ATOM 0 H LYS A 77 5.922 -5.812 0.331 1.00 5.14 H new ATOM 0 HA LYS A 77 8.590 -6.086 -0.554 1.00 1.01 H new ATOM 0 HB2 LYS A 77 5.928 -6.192 -2.038 1.00 74.33 H new ATOM 0 HB3 LYS A 77 7.461 -6.576 -2.795 1.00 74.33 H new ATOM 0 HG2 LYS A 77 7.786 -8.422 -1.085 1.00 73.43 H new ATOM 0 HG3 LYS A 77 6.186 -8.076 -0.458 1.00 73.43 H new ATOM 0 HD2 LYS A 77 6.019 -9.952 -2.021 1.00 34.42 H new ATOM 0 HD3 LYS A 77 5.202 -8.569 -2.722 1.00 34.42 H new ATOM 0 HE2 LYS A 77 7.306 -8.071 -4.063 1.00 75.34 H new ATOM 0 HE3 LYS A 77 8.013 -9.545 -3.432 1.00 75.34 H new ATOM 0 HZ1 LYS A 77 7.057 -9.893 -5.604 1.00 12.20 H new ATOM 0 HZ2 LYS A 77 6.218 -10.809 -4.446 1.00 12.20 H new ATOM 0 HZ3 LYS A 77 5.533 -9.381 -5.058 1.00 12.20 H new ATOM 1268 N VAL A 78 6.989 -3.366 -1.620 1.00 24.35 N ATOM 1269 CA VAL A 78 7.152 -2.033 -2.244 1.00 24.21 C ATOM 1270 C VAL A 78 8.331 -1.282 -1.591 1.00 70.42 C ATOM 1271 O VAL A 78 9.239 -0.807 -2.281 1.00 2.11 O ATOM 1272 CB VAL A 78 5.814 -1.180 -2.145 1.00 42.25 C ATOM 1273 CG1 VAL A 78 6.030 0.302 -2.549 1.00 22.53 C ATOM 1274 CG2 VAL A 78 4.692 -1.813 -3.011 1.00 41.43 C ATOM 0 H VAL A 78 6.062 -3.520 -1.224 1.00 24.35 H new ATOM 0 HA VAL A 78 7.371 -2.177 -3.302 1.00 24.21 H new ATOM 0 HB VAL A 78 5.508 -1.193 -1.099 1.00 42.25 H new ATOM 0 HG11 VAL A 78 5.088 0.843 -2.465 1.00 22.53 H new ATOM 0 HG12 VAL A 78 6.769 0.755 -1.888 1.00 22.53 H new ATOM 0 HG13 VAL A 78 6.386 0.350 -3.578 1.00 22.53 H new ATOM 0 HG21 VAL A 78 3.786 -1.213 -2.928 1.00 41.43 H new ATOM 0 HG22 VAL A 78 5.011 -1.846 -4.053 1.00 41.43 H new ATOM 0 HG23 VAL A 78 4.490 -2.825 -2.661 1.00 41.43 H new ATOM 1284 N TYR A 79 8.314 -1.242 -0.249 1.00 61.22 N ATOM 1285 CA TYR A 79 9.352 -0.583 0.562 1.00 23.40 C ATOM 1286 C TYR A 79 10.657 -1.420 0.592 1.00 3.03 C ATOM 1287 O TYR A 79 11.734 -0.877 0.851 1.00 42.44 O ATOM 1288 CB TYR A 79 8.833 -0.333 2.009 1.00 12.12 C ATOM 1289 CG TYR A 79 7.738 0.741 2.164 1.00 73.35 C ATOM 1290 CD1 TYR A 79 6.552 0.693 1.423 1.00 52.51 C ATOM 1291 CD2 TYR A 79 7.891 1.798 3.069 1.00 13.31 C ATOM 1292 CE1 TYR A 79 5.567 1.651 1.575 1.00 64.25 C ATOM 1293 CE2 TYR A 79 6.908 2.755 3.227 1.00 3.52 C ATOM 1294 CZ TYR A 79 5.749 2.679 2.478 1.00 5.40 C ATOM 1295 OH TYR A 79 4.766 3.632 2.639 1.00 55.32 O ATOM 0 H TYR A 79 7.574 -1.669 0.308 1.00 61.22 H new ATOM 0 HA TYR A 79 9.580 0.377 0.100 1.00 23.40 H new ATOM 0 HB2 TYR A 79 8.448 -1.274 2.402 1.00 12.12 H new ATOM 0 HB3 TYR A 79 9.681 -0.050 2.633 1.00 12.12 H new ATOM 0 HD1 TYR A 79 6.403 -0.110 0.717 1.00 52.51 H new ATOM 0 HD2 TYR A 79 8.796 1.866 3.655 1.00 13.31 H new ATOM 0 HE1 TYR A 79 4.660 1.595 0.991 1.00 64.25 H new ATOM 0 HE2 TYR A 79 7.045 3.560 3.934 1.00 3.52 H new ATOM 0 HH TYR A 79 5.067 4.306 3.284 1.00 55.32 H new ATOM 1305 N ALA A 80 10.548 -2.743 0.330 1.00 53.53 N ATOM 1306 CA ALA A 80 11.710 -3.655 0.302 1.00 63.03 C ATOM 1307 C ALA A 80 12.538 -3.465 -0.979 1.00 14.22 C ATOM 1308 O ALA A 80 13.760 -3.625 -0.959 1.00 41.22 O ATOM 1309 CB ALA A 80 11.261 -5.121 0.432 1.00 23.04 C ATOM 0 H ALA A 80 9.659 -3.203 0.134 1.00 53.53 H new ATOM 0 HA ALA A 80 12.341 -3.407 1.156 1.00 63.03 H new ATOM 0 HB1 ALA A 80 12.135 -5.773 0.409 1.00 23.04 H new ATOM 0 HB2 ALA A 80 10.732 -5.257 1.375 1.00 23.04 H new ATOM 0 HB3 ALA A 80 10.598 -5.373 -0.396 1.00 23.04 H new ATOM 1315 N GLU A 81 11.858 -3.144 -2.092 1.00 62.45 N ATOM 1316 CA GLU A 81 12.518 -2.843 -3.381 1.00 11.33 C ATOM 1317 C GLU A 81 13.226 -1.474 -3.311 1.00 2.32 C ATOM 1318 O GLU A 81 14.200 -1.221 -4.034 1.00 61.34 O ATOM 1319 CB GLU A 81 11.472 -2.898 -4.527 1.00 31.22 C ATOM 1320 CG GLU A 81 10.848 -4.301 -4.711 1.00 51.22 C ATOM 1321 CD GLU A 81 9.689 -4.334 -5.712 1.00 33.32 C ATOM 1322 OE1 GLU A 81 9.943 -4.430 -6.934 1.00 14.44 O ATOM 1323 OE2 GLU A 81 8.514 -4.214 -5.294 1.00 54.51 O ATOM 0 H GLU A 81 10.840 -3.085 -2.128 1.00 62.45 H new ATOM 0 HA GLU A 81 13.282 -3.592 -3.588 1.00 11.33 H new ATOM 0 HB2 GLU A 81 10.679 -2.178 -4.322 1.00 31.22 H new ATOM 0 HB3 GLU A 81 11.947 -2.593 -5.459 1.00 31.22 H new ATOM 0 HG2 GLU A 81 11.622 -4.993 -5.043 1.00 51.22 H new ATOM 0 HG3 GLU A 81 10.492 -4.660 -3.745 1.00 51.22 H new ATOM 1330 N LEU A 82 12.736 -0.612 -2.400 1.00 4.22 N ATOM 1331 CA LEU A 82 13.335 0.707 -2.112 1.00 34.22 C ATOM 1332 C LEU A 82 14.436 0.581 -1.023 1.00 41.54 C ATOM 1333 O LEU A 82 15.362 1.394 -0.980 1.00 54.02 O ATOM 1334 CB LEU A 82 12.221 1.698 -1.667 1.00 10.25 C ATOM 1335 CG LEU A 82 11.035 1.870 -2.673 1.00 2.42 C ATOM 1336 CD1 LEU A 82 9.978 2.856 -2.145 1.00 1.54 C ATOM 1337 CD2 LEU A 82 11.533 2.275 -4.077 1.00 1.30 C ATOM 0 H LEU A 82 11.908 -0.812 -1.839 1.00 4.22 H new ATOM 0 HA LEU A 82 13.806 1.092 -3.016 1.00 34.22 H new ATOM 0 HB2 LEU A 82 11.819 1.361 -0.712 1.00 10.25 H new ATOM 0 HB3 LEU A 82 12.674 2.674 -1.495 1.00 10.25 H new ATOM 0 HG LEU A 82 10.552 0.897 -2.767 1.00 2.42 H new ATOM 0 HD11 LEU A 82 9.171 2.948 -2.872 1.00 1.54 H new ATOM 0 HD12 LEU A 82 9.576 2.487 -1.201 1.00 1.54 H new ATOM 0 HD13 LEU A 82 10.437 3.832 -1.987 1.00 1.54 H new ATOM 0 HD21 LEU A 82 10.681 2.385 -4.748 1.00 1.30 H new ATOM 0 HD22 LEU A 82 12.069 3.222 -4.014 1.00 1.30 H new ATOM 0 HD23 LEU A 82 12.201 1.505 -4.462 1.00 1.30 H new ATOM 1349 N GLY A 83 14.327 -0.463 -0.171 1.00 5.32 N ATOM 1350 CA GLY A 83 15.280 -0.710 0.929 1.00 63.13 C ATOM 1351 C GLY A 83 15.593 -2.197 1.094 1.00 32.21 C ATOM 1352 O GLY A 83 16.260 -2.788 0.236 1.00 22.14 O ATOM 0 H GLY A 83 13.579 -1.154 -0.228 1.00 5.32 H new ATOM 0 HA2 GLY A 83 16.204 -0.164 0.737 1.00 63.13 H new ATOM 0 HA3 GLY A 83 14.867 -0.321 1.860 1.00 63.13 H new ATOM 1356 N TYR A 84 15.116 -2.806 2.201 1.00 20.35 N ATOM 1357 CA TYR A 84 15.286 -4.255 2.500 1.00 53.11 C ATOM 1358 C TYR A 84 13.978 -4.832 3.086 1.00 74.31 C ATOM 1359 O TYR A 84 13.080 -4.073 3.418 1.00 74.13 O ATOM 1360 CB TYR A 84 16.479 -4.485 3.475 1.00 42.42 C ATOM 1361 CG TYR A 84 17.854 -4.297 2.807 1.00 51.01 C ATOM 1362 CD1 TYR A 84 18.450 -5.340 2.098 1.00 40.34 C ATOM 1363 CD2 TYR A 84 18.521 -3.070 2.845 1.00 72.13 C ATOM 1364 CE1 TYR A 84 19.658 -5.169 1.456 1.00 13.42 C ATOM 1365 CE2 TYR A 84 19.730 -2.898 2.209 1.00 33.31 C ATOM 1366 CZ TYR A 84 20.295 -3.947 1.512 1.00 0.42 C ATOM 1367 OH TYR A 84 21.499 -3.774 0.862 1.00 24.13 O ATOM 0 H TYR A 84 14.596 -2.306 2.922 1.00 20.35 H new ATOM 0 HA TYR A 84 15.511 -4.777 1.570 1.00 53.11 H new ATOM 0 HB2 TYR A 84 16.392 -3.794 4.314 1.00 42.42 H new ATOM 0 HB3 TYR A 84 16.416 -5.493 3.884 1.00 42.42 H new ATOM 0 HD1 TYR A 84 17.956 -6.299 2.051 1.00 40.34 H new ATOM 0 HD2 TYR A 84 18.081 -2.243 3.382 1.00 72.13 H new ATOM 0 HE1 TYR A 84 20.104 -5.988 0.912 1.00 13.42 H new ATOM 0 HE2 TYR A 84 20.235 -1.945 2.255 1.00 33.31 H new ATOM 0 HH TYR A 84 21.815 -2.857 0.998 1.00 24.13 H new ATOM 1377 N ASN A 85 13.893 -6.175 3.244 1.00 15.15 N ATOM 1378 CA ASN A 85 12.640 -6.883 3.663 1.00 23.03 C ATOM 1379 C ASN A 85 12.327 -6.734 5.175 1.00 74.12 C ATOM 1380 O ASN A 85 11.415 -7.401 5.691 1.00 73.12 O ATOM 1381 CB ASN A 85 12.707 -8.398 3.300 1.00 61.00 C ATOM 1382 CG ASN A 85 12.912 -8.693 1.812 1.00 54.30 C ATOM 1383 OD1 ASN A 85 13.598 -7.966 1.104 1.00 63.22 O ATOM 1384 ND2 ASN A 85 12.312 -9.769 1.320 1.00 20.40 N ATOM 0 H ASN A 85 14.682 -6.803 3.088 1.00 15.15 H new ATOM 0 HA ASN A 85 11.832 -6.402 3.111 1.00 23.03 H new ATOM 0 HB2 ASN A 85 13.521 -8.856 3.862 1.00 61.00 H new ATOM 0 HB3 ASN A 85 11.784 -8.877 3.627 1.00 61.00 H new ATOM 0 HD21 ASN A 85 12.417 -10.005 0.333 1.00 20.40 H new ATOM 0 HD22 ASN A 85 11.745 -10.360 1.928 1.00 20.40 H new ATOM 1391 N ASP A 86 13.037 -5.830 5.868 1.00 4.22 N ATOM 1392 CA ASP A 86 12.854 -5.572 7.317 1.00 13.34 C ATOM 1393 C ASP A 86 11.720 -4.557 7.580 1.00 33.41 C ATOM 1394 O ASP A 86 11.678 -3.912 8.638 1.00 72.02 O ATOM 1395 CB ASP A 86 14.188 -5.047 7.907 1.00 23.53 C ATOM 1396 CG ASP A 86 15.343 -6.046 7.748 1.00 63.45 C ATOM 1397 OD1 ASP A 86 15.935 -6.115 6.641 1.00 22.23 O ATOM 1398 OD2 ASP A 86 15.659 -6.773 8.717 1.00 43.55 O ATOM 0 H ASP A 86 13.760 -5.251 5.442 1.00 4.22 H new ATOM 0 HA ASP A 86 12.570 -6.506 7.801 1.00 13.34 H new ATOM 0 HB2 ASP A 86 14.453 -4.111 7.416 1.00 23.53 H new ATOM 0 HB3 ASP A 86 14.049 -4.824 8.965 1.00 23.53 H new ATOM 1403 N ILE A 87 10.776 -4.475 6.633 1.00 4.11 N ATOM 1404 CA ILE A 87 9.662 -3.520 6.660 1.00 1.54 C ATOM 1405 C ILE A 87 8.528 -4.089 7.534 1.00 71.24 C ATOM 1406 O ILE A 87 8.329 -5.311 7.576 1.00 73.24 O ATOM 1407 CB ILE A 87 9.134 -3.250 5.196 1.00 3.21 C ATOM 1408 CG1 ILE A 87 10.309 -2.947 4.204 1.00 13.41 C ATOM 1409 CG2 ILE A 87 8.085 -2.117 5.174 1.00 12.34 C ATOM 1410 CD1 ILE A 87 11.173 -1.746 4.549 1.00 61.54 C ATOM 0 H ILE A 87 10.766 -5.081 5.813 1.00 4.11 H new ATOM 0 HA ILE A 87 10.008 -2.576 7.080 1.00 1.54 H new ATOM 0 HB ILE A 87 8.645 -4.164 4.858 1.00 3.21 H new ATOM 0 HG12 ILE A 87 10.949 -3.827 4.149 1.00 13.41 H new ATOM 0 HG13 ILE A 87 9.890 -2.795 3.209 1.00 13.41 H new ATOM 0 HG21 ILE A 87 7.743 -1.958 4.151 1.00 12.34 H new ATOM 0 HG22 ILE A 87 7.237 -2.394 5.801 1.00 12.34 H new ATOM 0 HG23 ILE A 87 8.533 -1.199 5.554 1.00 12.34 H new ATOM 0 HD11 ILE A 87 11.953 -1.631 3.796 1.00 61.54 H new ATOM 0 HD12 ILE A 87 10.555 -0.848 4.572 1.00 61.54 H new ATOM 0 HD13 ILE A 87 11.631 -1.896 5.526 1.00 61.54 H new ATOM 1422 N ASN A 88 7.794 -3.206 8.225 1.00 52.41 N ATOM 1423 CA ASN A 88 6.709 -3.612 9.138 1.00 12.41 C ATOM 1424 C ASN A 88 5.436 -2.811 8.828 1.00 23.21 C ATOM 1425 O ASN A 88 5.502 -1.657 8.391 1.00 13.20 O ATOM 1426 CB ASN A 88 7.150 -3.398 10.607 1.00 42.51 C ATOM 1427 CG ASN A 88 6.141 -3.916 11.642 1.00 61.02 C ATOM 1428 OD1 ASN A 88 5.418 -4.880 11.400 1.00 63.20 O ATOM 1429 ND2 ASN A 88 6.094 -3.291 12.805 1.00 23.22 N ATOM 0 H ASN A 88 7.932 -2.197 8.170 1.00 52.41 H new ATOM 0 HA ASN A 88 6.492 -4.670 8.993 1.00 12.41 H new ATOM 0 HB2 ASN A 88 8.106 -3.897 10.765 1.00 42.51 H new ATOM 0 HB3 ASN A 88 7.314 -2.334 10.775 1.00 42.51 H new ATOM 0 HD21 ASN A 88 5.447 -3.606 13.528 1.00 23.22 H new ATOM 0 HD22 ASN A 88 6.705 -2.493 12.980 1.00 23.22 H new ATOM 1436 N VAL A 89 4.285 -3.450 9.061 1.00 61.24 N ATOM 1437 CA VAL A 89 2.961 -2.848 8.886 1.00 65.53 C ATOM 1438 C VAL A 89 2.292 -2.657 10.260 1.00 1.31 C ATOM 1439 O VAL A 89 2.391 -3.524 11.138 1.00 63.30 O ATOM 1440 CB VAL A 89 2.048 -3.750 7.964 1.00 61.25 C ATOM 1441 CG1 VAL A 89 1.903 -5.186 8.520 1.00 14.04 C ATOM 1442 CG2 VAL A 89 0.661 -3.099 7.727 1.00 44.33 C ATOM 0 H VAL A 89 4.248 -4.417 9.382 1.00 61.24 H new ATOM 0 HA VAL A 89 3.083 -1.879 8.402 1.00 65.53 H new ATOM 0 HB VAL A 89 2.549 -3.826 6.999 1.00 61.25 H new ATOM 0 HG11 VAL A 89 1.268 -5.771 7.855 1.00 14.04 H new ATOM 0 HG12 VAL A 89 2.886 -5.652 8.585 1.00 14.04 H new ATOM 0 HG13 VAL A 89 1.453 -5.148 9.512 1.00 14.04 H new ATOM 0 HG21 VAL A 89 0.059 -3.746 7.089 1.00 44.33 H new ATOM 0 HG22 VAL A 89 0.156 -2.961 8.683 1.00 44.33 H new ATOM 0 HG23 VAL A 89 0.791 -2.131 7.242 1.00 44.33 H new ATOM 1452 N THR A 90 1.666 -1.495 10.453 1.00 53.32 N ATOM 1453 CA THR A 90 0.737 -1.272 11.552 1.00 64.21 C ATOM 1454 C THR A 90 -0.691 -1.437 11.005 1.00 21.21 C ATOM 1455 O THR A 90 -1.196 -0.566 10.289 1.00 64.24 O ATOM 1456 CB THR A 90 0.928 0.160 12.163 1.00 31.05 C ATOM 1457 OG1 THR A 90 2.299 0.327 12.566 1.00 61.11 O ATOM 1458 CG2 THR A 90 0.011 0.406 13.374 1.00 24.14 C ATOM 0 H THR A 90 1.792 -0.683 9.848 1.00 53.32 H new ATOM 0 HA THR A 90 0.923 -1.993 12.348 1.00 64.21 H new ATOM 0 HB THR A 90 0.661 0.884 11.393 1.00 31.05 H new ATOM 0 HG1 THR A 90 2.421 1.222 12.947 1.00 61.11 H new ATOM 0 HG21 THR A 90 0.181 1.411 13.761 1.00 24.14 H new ATOM 0 HG22 THR A 90 -1.030 0.306 13.068 1.00 24.14 H new ATOM 0 HG23 THR A 90 0.232 -0.325 14.152 1.00 24.14 H new ATOM 1466 N TRP A 91 -1.316 -2.579 11.323 1.00 34.31 N ATOM 1467 CA TRP A 91 -2.726 -2.840 11.002 1.00 35.13 C ATOM 1468 C TRP A 91 -3.552 -2.574 12.262 1.00 2.31 C ATOM 1469 O TRP A 91 -3.416 -3.301 13.252 1.00 65.31 O ATOM 1470 CB TRP A 91 -2.936 -4.295 10.494 1.00 53.13 C ATOM 1471 CG TRP A 91 -4.388 -4.648 10.214 1.00 72.22 C ATOM 1472 CD1 TRP A 91 -5.273 -3.951 9.428 1.00 14.51 C ATOM 1473 CD2 TRP A 91 -5.117 -5.781 10.715 1.00 32.35 C ATOM 1474 NE1 TRP A 91 -6.491 -4.572 9.419 1.00 41.51 N ATOM 1475 CE2 TRP A 91 -6.425 -5.693 10.199 1.00 43.51 C ATOM 1476 CE3 TRP A 91 -4.794 -6.852 11.554 1.00 61.23 C ATOM 1477 CZ2 TRP A 91 -7.402 -6.639 10.479 1.00 2.31 C ATOM 1478 CZ3 TRP A 91 -5.767 -7.794 11.831 1.00 11.44 C ATOM 1479 CH2 TRP A 91 -7.059 -7.678 11.301 1.00 41.25 C ATOM 0 H TRP A 91 -0.858 -3.349 11.811 1.00 34.31 H new ATOM 0 HA TRP A 91 -3.047 -2.181 10.195 1.00 35.13 H new ATOM 0 HB2 TRP A 91 -2.356 -4.438 9.583 1.00 53.13 H new ATOM 0 HB3 TRP A 91 -2.541 -4.989 11.236 1.00 53.13 H new ATOM 0 HD1 TRP A 91 -5.040 -3.042 8.893 1.00 14.51 H new ATOM 0 HE1 TRP A 91 -7.316 -4.251 8.912 1.00 41.51 H new ATOM 0 HE3 TRP A 91 -3.804 -6.941 11.977 1.00 61.23 H new ATOM 0 HZ2 TRP A 91 -8.396 -6.558 10.064 1.00 2.31 H new ATOM 0 HZ3 TRP A 91 -5.527 -8.634 12.467 1.00 11.44 H new ATOM 0 HH2 TRP A 91 -7.800 -8.424 11.546 1.00 41.25 H new ATOM 1490 N ASP A 92 -4.358 -1.509 12.223 1.00 74.43 N ATOM 1491 CA ASP A 92 -5.233 -1.146 13.341 1.00 70.03 C ATOM 1492 C ASP A 92 -6.434 -2.113 13.406 1.00 32.24 C ATOM 1493 O ASP A 92 -6.751 -2.661 14.468 1.00 52.31 O ATOM 1494 CB ASP A 92 -5.707 0.322 13.210 1.00 23.41 C ATOM 1495 CG ASP A 92 -6.581 0.767 14.396 1.00 72.54 C ATOM 1496 OD1 ASP A 92 -6.029 1.073 15.480 1.00 44.33 O ATOM 1497 OD2 ASP A 92 -7.824 0.765 14.265 1.00 34.43 O ATOM 0 H ASP A 92 -4.422 -0.879 11.423 1.00 74.43 H new ATOM 0 HA ASP A 92 -4.671 -1.231 14.271 1.00 70.03 H new ATOM 0 HB2 ASP A 92 -4.838 0.976 13.138 1.00 23.41 H new ATOM 0 HB3 ASP A 92 -6.271 0.437 12.284 1.00 23.41 H new ATOM 1502 N GLY A 93 -7.067 -2.322 12.244 1.00 40.13 N ATOM 1503 CA GLY A 93 -8.251 -3.173 12.132 1.00 3.24 C ATOM 1504 C GLY A 93 -9.018 -2.892 10.853 1.00 13.04 C ATOM 1505 O GLY A 93 -9.533 -3.807 10.208 1.00 35.14 O ATOM 0 H GLY A 93 -6.772 -1.906 11.361 1.00 40.13 H new ATOM 0 HA2 GLY A 93 -7.951 -4.221 12.155 1.00 3.24 H new ATOM 0 HA3 GLY A 93 -8.901 -3.009 12.991 1.00 3.24 H new ATOM 1509 N ASP A 94 -9.093 -1.605 10.504 1.00 53.12 N ATOM 1510 CA ASP A 94 -9.791 -1.106 9.299 1.00 61.45 C ATOM 1511 C ASP A 94 -8.788 -0.718 8.196 1.00 62.53 C ATOM 1512 O ASP A 94 -9.135 -0.704 7.009 1.00 2.24 O ATOM 1513 CB ASP A 94 -10.684 0.119 9.681 1.00 1.03 C ATOM 1514 CG ASP A 94 -9.911 1.355 10.217 1.00 42.54 C ATOM 1515 OD1 ASP A 94 -8.976 1.192 11.037 1.00 11.31 O ATOM 1516 OD2 ASP A 94 -10.249 2.496 9.835 1.00 61.41 O ATOM 0 H ASP A 94 -8.665 -0.861 11.056 1.00 53.12 H new ATOM 0 HA ASP A 94 -10.422 -1.904 8.907 1.00 61.45 H new ATOM 0 HB2 ASP A 94 -11.256 0.420 8.803 1.00 1.03 H new ATOM 0 HB3 ASP A 94 -11.403 -0.197 10.437 1.00 1.03 H new ATOM 1521 N THR A 95 -7.536 -0.420 8.601 1.00 41.03 N ATOM 1522 CA THR A 95 -6.500 0.107 7.692 1.00 34.13 C ATOM 1523 C THR A 95 -5.133 -0.548 7.975 1.00 64.43 C ATOM 1524 O THR A 95 -4.728 -0.669 9.140 1.00 5.20 O ATOM 1525 CB THR A 95 -6.368 1.665 7.866 1.00 21.22 C ATOM 1526 OG1 THR A 95 -7.670 2.266 7.875 1.00 20.04 O ATOM 1527 CG2 THR A 95 -5.527 2.311 6.748 1.00 20.21 C ATOM 0 H THR A 95 -7.217 -0.538 9.563 1.00 41.03 H new ATOM 0 HA THR A 95 -6.801 -0.127 6.671 1.00 34.13 H new ATOM 0 HB THR A 95 -5.859 1.839 8.814 1.00 21.22 H new ATOM 0 HG1 THR A 95 -7.582 3.236 7.985 1.00 20.04 H new ATOM 0 HG21 THR A 95 -5.466 3.387 6.914 1.00 20.21 H new ATOM 0 HG22 THR A 95 -4.524 1.885 6.755 1.00 20.21 H new ATOM 0 HG23 THR A 95 -5.996 2.119 5.783 1.00 20.21 H new ATOM 1535 N VAL A 96 -4.439 -0.979 6.902 1.00 1.22 N ATOM 1536 CA VAL A 96 -3.010 -1.350 6.961 1.00 44.13 C ATOM 1537 C VAL A 96 -2.177 -0.107 6.601 1.00 42.10 C ATOM 1538 O VAL A 96 -2.395 0.508 5.559 1.00 4.30 O ATOM 1539 CB VAL A 96 -2.635 -2.555 6.000 1.00 1.44 C ATOM 1540 CG1 VAL A 96 -3.181 -3.889 6.546 1.00 53.13 C ATOM 1541 CG2 VAL A 96 -3.113 -2.329 4.541 1.00 14.33 C ATOM 0 H VAL A 96 -4.851 -1.079 5.974 1.00 1.22 H new ATOM 0 HA VAL A 96 -2.792 -1.694 7.972 1.00 44.13 H new ATOM 0 HB VAL A 96 -1.546 -2.603 5.976 1.00 1.44 H new ATOM 0 HG11 VAL A 96 -2.910 -4.698 5.868 1.00 53.13 H new ATOM 0 HG12 VAL A 96 -2.754 -4.082 7.530 1.00 53.13 H new ATOM 0 HG13 VAL A 96 -4.267 -3.832 6.627 1.00 53.13 H new ATOM 0 HG21 VAL A 96 -2.829 -3.185 3.928 1.00 14.33 H new ATOM 0 HG22 VAL A 96 -4.197 -2.216 4.527 1.00 14.33 H new ATOM 0 HG23 VAL A 96 -2.649 -1.427 4.142 1.00 14.33 H new ATOM 1551 N THR A 97 -1.255 0.283 7.482 1.00 22.54 N ATOM 1552 CA THR A 97 -0.438 1.488 7.294 1.00 72.15 C ATOM 1553 C THR A 97 1.044 1.138 7.476 1.00 62.35 C ATOM 1554 O THR A 97 1.460 0.727 8.558 1.00 52.12 O ATOM 1555 CB THR A 97 -0.850 2.609 8.301 1.00 51.04 C ATOM 1556 OG1 THR A 97 -2.264 2.870 8.186 1.00 33.21 O ATOM 1557 CG2 THR A 97 -0.068 3.909 8.048 1.00 41.45 C ATOM 0 H THR A 97 -1.052 -0.224 8.344 1.00 22.54 H new ATOM 0 HA THR A 97 -0.603 1.864 6.284 1.00 72.15 H new ATOM 0 HB THR A 97 -0.615 2.260 9.306 1.00 51.04 H new ATOM 0 HG1 THR A 97 -2.520 3.572 8.820 1.00 33.21 H new ATOM 0 HG21 THR A 97 -0.380 4.667 8.767 1.00 41.45 H new ATOM 0 HG22 THR A 97 0.999 3.719 8.161 1.00 41.45 H new ATOM 0 HG23 THR A 97 -0.268 4.263 7.037 1.00 41.45 H new ATOM 1565 N VAL A 98 1.819 1.291 6.397 1.00 63.03 N ATOM 1566 CA VAL A 98 3.264 1.036 6.390 1.00 12.45 C ATOM 1567 C VAL A 98 4.019 2.372 6.278 1.00 41.42 C ATOM 1568 O VAL A 98 3.644 3.239 5.478 1.00 21.42 O ATOM 1569 CB VAL A 98 3.657 0.097 5.193 1.00 13.15 C ATOM 1570 CG1 VAL A 98 5.179 -0.160 5.141 1.00 50.35 C ATOM 1571 CG2 VAL A 98 2.881 -1.235 5.274 1.00 44.23 C ATOM 0 H VAL A 98 1.457 1.599 5.494 1.00 63.03 H new ATOM 0 HA VAL A 98 3.537 0.538 7.320 1.00 12.45 H new ATOM 0 HB VAL A 98 3.382 0.607 4.270 1.00 13.15 H new ATOM 0 HG11 VAL A 98 5.409 -0.814 4.300 1.00 50.35 H new ATOM 0 HG12 VAL A 98 5.704 0.787 5.019 1.00 50.35 H new ATOM 0 HG13 VAL A 98 5.500 -0.636 6.068 1.00 50.35 H new ATOM 0 HG21 VAL A 98 3.165 -1.873 4.437 1.00 44.23 H new ATOM 0 HG22 VAL A 98 3.119 -1.738 6.211 1.00 44.23 H new ATOM 0 HG23 VAL A 98 1.810 -1.036 5.231 1.00 44.23 H new ATOM 1581 N GLU A 99 5.061 2.530 7.104 1.00 41.34 N ATOM 1582 CA GLU A 99 5.985 3.666 7.041 1.00 3.31 C ATOM 1583 C GLU A 99 7.385 3.133 7.384 1.00 54.52 C ATOM 1584 O GLU A 99 7.591 2.593 8.481 1.00 75.42 O ATOM 1585 CB GLU A 99 5.549 4.811 8.022 1.00 4.01 C ATOM 1586 CG GLU A 99 6.059 6.242 7.665 1.00 70.32 C ATOM 1587 CD GLU A 99 7.594 6.406 7.650 1.00 61.23 C ATOM 1588 OE1 GLU A 99 8.177 6.705 8.712 1.00 21.55 O ATOM 1589 OE2 GLU A 99 8.224 6.210 6.587 1.00 50.51 O ATOM 0 H GLU A 99 5.287 1.864 7.843 1.00 41.34 H new ATOM 0 HA GLU A 99 5.982 4.105 6.043 1.00 3.31 H new ATOM 0 HB2 GLU A 99 4.460 4.834 8.063 1.00 4.01 H new ATOM 0 HB3 GLU A 99 5.900 4.560 9.023 1.00 4.01 H new ATOM 0 HG2 GLU A 99 5.671 6.515 6.684 1.00 70.32 H new ATOM 0 HG3 GLU A 99 5.641 6.949 8.381 1.00 70.32 H new ATOM 1596 N GLY A 100 8.323 3.287 6.432 1.00 30.23 N ATOM 1597 CA GLY A 100 9.725 2.913 6.620 1.00 72.30 C ATOM 1598 C GLY A 100 9.912 1.436 6.928 1.00 21.22 C ATOM 1599 O GLY A 100 9.615 0.592 6.086 1.00 23.34 O ATOM 0 H GLY A 100 8.123 3.676 5.510 1.00 30.23 H new ATOM 0 HA2 GLY A 100 10.286 3.164 5.720 1.00 72.30 H new ATOM 0 HA3 GLY A 100 10.147 3.504 7.433 1.00 72.30 H new ATOM 1603 N GLN A 101 10.359 1.137 8.158 1.00 12.23 N ATOM 1604 CA GLN A 101 10.615 -0.238 8.623 1.00 71.15 C ATOM 1605 C GLN A 101 10.587 -0.285 10.161 1.00 22.32 C ATOM 1606 O GLN A 101 10.548 0.758 10.825 1.00 14.34 O ATOM 1607 CB GLN A 101 11.996 -0.751 8.105 1.00 72.10 C ATOM 1608 CG GLN A 101 13.236 -0.231 8.867 1.00 3.55 C ATOM 1609 CD GLN A 101 14.555 -0.788 8.332 1.00 53.03 C ATOM 1610 OE1 GLN A 101 15.179 -0.199 7.446 1.00 44.34 O ATOM 1611 NE2 GLN A 101 14.981 -1.931 8.856 1.00 23.01 N ATOM 0 H GLN A 101 10.555 1.847 8.864 1.00 12.23 H new ATOM 0 HA GLN A 101 9.834 -0.886 8.226 1.00 71.15 H new ATOM 0 HB2 GLN A 101 11.997 -1.840 8.148 1.00 72.10 H new ATOM 0 HB3 GLN A 101 12.095 -0.473 7.056 1.00 72.10 H new ATOM 0 HG2 GLN A 101 13.259 0.857 8.808 1.00 3.55 H new ATOM 0 HG3 GLN A 101 13.141 -0.491 9.921 1.00 3.55 H new ATOM 0 HE21 GLN A 101 14.439 -2.390 9.588 1.00 23.01 H new ATOM 0 HE22 GLN A 101 15.851 -2.350 8.527 1.00 23.01 H new ATOM 1620 N LEU A 102 10.600 -1.505 10.718 1.00 72.10 N ATOM 1621 CA LEU A 102 10.884 -1.720 12.144 1.00 74.43 C ATOM 1622 C LEU A 102 12.333 -2.221 12.257 1.00 23.45 C ATOM 1623 O LEU A 102 12.656 -3.318 11.789 1.00 63.00 O ATOM 1624 CB LEU A 102 9.887 -2.723 12.772 1.00 41.40 C ATOM 1625 CG LEU A 102 9.992 -2.914 14.321 1.00 3.32 C ATOM 1626 CD1 LEU A 102 9.764 -1.586 15.070 1.00 25.34 C ATOM 1627 CD2 LEU A 102 9.019 -4.001 14.813 1.00 21.20 C ATOM 0 H LEU A 102 10.416 -2.363 10.198 1.00 72.10 H new ATOM 0 HA LEU A 102 10.766 -0.788 12.697 1.00 74.43 H new ATOM 0 HB2 LEU A 102 8.875 -2.396 12.534 1.00 41.40 H new ATOM 0 HB3 LEU A 102 10.029 -3.693 12.296 1.00 41.40 H new ATOM 0 HG LEU A 102 11.006 -3.246 14.542 1.00 3.32 H new ATOM 0 HD11 LEU A 102 9.844 -1.755 16.144 1.00 25.34 H new ATOM 0 HD12 LEU A 102 10.516 -0.860 14.760 1.00 25.34 H new ATOM 0 HD13 LEU A 102 8.771 -1.202 14.836 1.00 25.34 H new ATOM 0 HD21 LEU A 102 9.114 -4.112 15.893 1.00 21.20 H new ATOM 0 HD22 LEU A 102 7.997 -3.713 14.566 1.00 21.20 H new ATOM 0 HD23 LEU A 102 9.256 -4.948 14.329 1.00 21.20 H new ATOM 1639 N GLU A 103 13.198 -1.371 12.809 1.00 43.13 N ATOM 1640 CA GLU A 103 14.628 -1.648 12.991 1.00 53.40 C ATOM 1641 C GLU A 103 14.852 -2.274 14.387 1.00 55.44 C ATOM 1642 O GLU A 103 14.671 -1.597 15.406 1.00 74.23 O ATOM 1643 CB GLU A 103 15.412 -0.320 12.844 1.00 40.13 C ATOM 1644 CG GLU A 103 16.942 -0.434 13.003 1.00 75.25 C ATOM 1645 CD GLU A 103 17.609 0.946 13.083 1.00 12.11 C ATOM 1646 OE1 GLU A 103 17.692 1.633 12.041 1.00 14.11 O ATOM 1647 OE2 GLU A 103 18.015 1.369 14.187 1.00 61.22 O ATOM 0 H GLU A 103 12.921 -0.450 13.150 1.00 43.13 H new ATOM 0 HA GLU A 103 14.983 -2.353 12.239 1.00 53.40 H new ATOM 0 HB2 GLU A 103 15.196 0.103 11.863 1.00 40.13 H new ATOM 0 HB3 GLU A 103 15.038 0.387 13.585 1.00 40.13 H new ATOM 0 HG2 GLU A 103 17.173 -1.002 13.904 1.00 75.25 H new ATOM 0 HG3 GLU A 103 17.355 -0.989 12.161 1.00 75.25 H new ATOM 1654 N GLY A 104 15.225 -3.568 14.419 1.00 5.04 N ATOM 1655 CA GLY A 104 15.467 -4.299 15.677 1.00 52.33 C ATOM 1656 C GLY A 104 16.953 -4.387 16.009 1.00 30.32 C ATOM 1657 O GLY A 104 17.550 -5.470 15.945 1.00 24.45 O ATOM 0 H GLY A 104 15.366 -4.132 13.581 1.00 5.04 H new ATOM 0 HA2 GLY A 104 14.942 -3.801 16.492 1.00 52.33 H new ATOM 0 HA3 GLY A 104 15.053 -5.304 15.598 1.00 52.33 H new ATOM 1661 N VAL A 105 17.552 -3.233 16.336 1.00 3.41 N ATOM 1662 CA VAL A 105 18.982 -3.130 16.669 1.00 63.54 C ATOM 1663 C VAL A 105 19.228 -3.536 18.147 1.00 64.21 C ATOM 1664 O VAL A 105 18.594 -3.000 19.063 1.00 51.23 O ATOM 1665 CB VAL A 105 19.537 -1.683 16.355 1.00 4.43 C ATOM 1666 CG1 VAL A 105 18.764 -0.578 17.110 1.00 54.04 C ATOM 1667 CG2 VAL A 105 21.059 -1.589 16.616 1.00 62.43 C ATOM 0 H VAL A 105 17.058 -2.342 16.377 1.00 3.41 H new ATOM 0 HA VAL A 105 19.534 -3.827 16.039 1.00 63.54 H new ATOM 0 HB VAL A 105 19.372 -1.510 15.292 1.00 4.43 H new ATOM 0 HG11 VAL A 105 19.184 0.396 16.860 1.00 54.04 H new ATOM 0 HG12 VAL A 105 17.714 -0.605 16.820 1.00 54.04 H new ATOM 0 HG13 VAL A 105 18.848 -0.744 18.184 1.00 54.04 H new ATOM 0 HG21 VAL A 105 21.405 -0.581 16.390 1.00 62.43 H new ATOM 0 HG22 VAL A 105 21.263 -1.817 17.662 1.00 62.43 H new ATOM 0 HG23 VAL A 105 21.582 -2.304 15.980 1.00 62.43 H new ATOM 1677 N ASP A 106 20.126 -4.516 18.363 1.00 51.23 N ATOM 1678 CA ASP A 106 20.472 -5.033 19.705 1.00 73.24 C ATOM 1679 C ASP A 106 22.010 -5.109 19.844 1.00 23.11 C ATOM 1680 O ASP A 106 22.598 -4.297 20.590 1.00 12.21 O ATOM 1681 CB ASP A 106 19.805 -6.423 19.944 1.00 74.34 C ATOM 1682 CG ASP A 106 20.237 -7.097 21.266 1.00 74.42 C ATOM 1683 OD1 ASP A 106 19.892 -6.577 22.349 1.00 45.22 O ATOM 1684 OD2 ASP A 106 20.913 -8.155 21.229 1.00 75.32 O ATOM 1685 OXT ASP A 106 22.630 -5.958 19.181 1.00 38.42 O ATOM 0 H ASP A 106 20.636 -4.975 17.608 1.00 51.23 H new ATOM 0 HA ASP A 106 20.089 -4.355 20.468 1.00 73.24 H new ATOM 0 HB2 ASP A 106 18.722 -6.302 19.945 1.00 74.34 H new ATOM 0 HB3 ASP A 106 20.051 -7.083 19.112 1.00 74.34 H new TER 1690 ASP A 106