USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 943 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 80 SER OG : rot 55:sc= 0.423 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -111:sc= 0.0343 (180deg=-1.11) USER MOD Set 2.1: A 68 THR OG1 : rot -109:sc= 0.925 USER MOD Set 2.2: A 69 ASN : amide:sc= -1.49 K(o=-0.57,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= -0.6 (180deg=-0.923) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 38:sc= 0.00539 USER MOD Single : A 24 THR OG1 : rot 16:sc= -0.828 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.591 K(o=-0.59,f=-3.8!) USER MOD Single : A 30 SER OG : rot -86:sc= 0.689 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 36 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.4) USER MOD Single : A 39 SER OG : rot 160:sc= -0.349 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc=-0.00083 (180deg=-0.079) USER MOD Single : A 46 LYS NZ :NH3+ -123:sc= -0.854 (180deg=-5.75!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 165:sc= -0.777 USER MOD Single : A 66 THR OG1 : rot -118:sc= 1.88 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.494 K(o=-0.49,f=-1.3) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -65:sc= 1.21 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 40:sc= 0.464 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.074 1.240 -5.528 1.00 14.15 N ATOM 2 CA MET A 1 1.594 2.275 -4.619 1.00 32.23 C ATOM 3 C MET A 1 2.320 3.594 -4.865 1.00 34.33 C ATOM 4 O MET A 1 2.505 4.392 -3.946 1.00 72.53 O ATOM 5 CB MET A 1 1.786 1.837 -3.166 1.00 23.54 C ATOM 6 CG MET A 1 1.012 0.580 -2.802 1.00 53.20 C ATOM 7 SD MET A 1 1.978 -0.566 -1.800 1.00 14.33 S ATOM 8 CE MET A 1 1.084 -0.495 -0.249 1.00 21.30 C ATOM 0 H1 MET A 1 2.152 0.338 -5.017 1.00 14.15 H new ATOM 0 H2 MET A 1 1.405 1.134 -6.317 1.00 14.15 H new ATOM 0 H3 MET A 1 3.007 1.509 -5.899 1.00 14.15 H new ATOM 0 HA MET A 1 0.531 2.425 -4.808 1.00 32.23 H new ATOM 0 HB2 MET A 1 2.847 1.666 -2.984 1.00 23.54 H new ATOM 0 HB3 MET A 1 1.476 2.648 -2.507 1.00 23.54 H new ATOM 0 HG2 MET A 1 0.109 0.859 -2.259 1.00 53.20 H new ATOM 0 HG3 MET A 1 0.693 0.078 -3.715 1.00 53.20 H new ATOM 0 HE1 MET A 1 1.561 -1.153 0.477 1.00 21.30 H new ATOM 0 HE2 MET A 1 1.091 0.527 0.129 1.00 21.30 H new ATOM 0 HE3 MET A 1 0.054 -0.816 -0.407 1.00 21.30 H new ATOM 18 N ALA A 2 2.729 3.816 -6.110 1.00 35.24 N ATOM 19 CA ALA A 2 3.432 5.039 -6.476 1.00 23.52 C ATOM 20 C ALA A 2 2.619 5.865 -7.466 1.00 34.30 C ATOM 21 O ALA A 2 3.172 6.649 -8.237 1.00 1.34 O ATOM 22 CB ALA A 2 4.798 4.707 -7.059 1.00 30.11 C ATOM 0 H ALA A 2 2.585 3.165 -6.882 1.00 35.24 H new ATOM 0 HA ALA A 2 3.569 5.634 -5.573 1.00 23.52 H new ATOM 0 HB1 ALA A 2 5.313 5.629 -7.328 1.00 30.11 H new ATOM 0 HB2 ALA A 2 5.387 4.165 -6.319 1.00 30.11 H new ATOM 0 HB3 ALA A 2 4.674 4.088 -7.948 1.00 30.11 H new ATOM 28 N ARG A 3 1.302 5.683 -7.440 1.00 64.23 N ATOM 29 CA ARG A 3 0.413 6.410 -8.337 1.00 51.45 C ATOM 30 C ARG A 3 0.702 6.058 -9.794 1.00 30.34 C ATOM 31 O ARG A 3 1.772 5.553 -10.135 1.00 51.32 O ATOM 32 CB ARG A 3 0.563 7.918 -8.127 1.00 44.12 C ATOM 33 CG ARG A 3 -0.557 8.533 -7.305 1.00 52.31 C ATOM 34 CD ARG A 3 -0.220 8.542 -5.822 1.00 53.03 C ATOM 35 NE ARG A 3 -1.352 8.973 -5.006 1.00 51.23 N ATOM 36 CZ ARG A 3 -1.727 10.241 -4.881 1.00 1.41 C ATOM 37 NH1 ARG A 3 -1.063 11.198 -5.515 1.00 54.05 N ATOM 38 NH2 ARG A 3 -2.768 10.555 -4.120 1.00 23.10 N ATOM 0 H ARG A 3 0.828 5.038 -6.807 1.00 64.23 H new ATOM 0 HA ARG A 3 -0.611 6.118 -8.107 1.00 51.45 H new ATOM 0 HB2 ARG A 3 1.515 8.115 -7.633 1.00 44.12 H new ATOM 0 HB3 ARG A 3 0.601 8.410 -9.099 1.00 44.12 H new ATOM 0 HG2 ARG A 3 -0.741 9.553 -7.644 1.00 52.31 H new ATOM 0 HG3 ARG A 3 -1.478 7.973 -7.466 1.00 52.31 H new ATOM 0 HD2 ARG A 3 0.089 7.543 -5.514 1.00 53.03 H new ATOM 0 HD3 ARG A 3 0.627 9.206 -5.647 1.00 53.03 H new ATOM 0 HE ARG A 3 -1.884 8.261 -4.505 1.00 51.23 H new ATOM 0 HH11 ARG A 3 -0.262 10.961 -6.100 1.00 54.05 H new ATOM 0 HH12 ARG A 3 -1.353 12.171 -5.417 1.00 54.05 H new ATOM 0 HH21 ARG A 3 -3.281 9.822 -3.630 1.00 23.10 H new ATOM 0 HH22 ARG A 3 -3.055 11.529 -4.025 1.00 23.10 H new ATOM 52 N PRO A 4 -0.274 6.328 -10.673 1.00 41.02 N ATOM 53 CA PRO A 4 -0.148 6.047 -12.106 1.00 42.45 C ATOM 54 C PRO A 4 0.858 6.967 -12.791 1.00 30.21 C ATOM 55 O PRO A 4 1.347 6.666 -13.880 1.00 4.24 O ATOM 56 CB PRO A 4 -1.558 6.304 -12.644 1.00 31.45 C ATOM 57 CG PRO A 4 -2.162 7.266 -11.679 1.00 65.25 C ATOM 58 CD PRO A 4 -1.575 6.929 -10.336 1.00 73.04 C ATOM 0 HA PRO A 4 0.217 5.037 -12.292 1.00 42.45 H new ATOM 0 HB2 PRO A 4 -1.528 6.720 -13.651 1.00 31.45 H new ATOM 0 HB3 PRO A 4 -2.136 5.381 -12.697 1.00 31.45 H new ATOM 0 HG2 PRO A 4 -1.933 8.294 -11.958 1.00 65.25 H new ATOM 0 HG3 PRO A 4 -3.248 7.174 -11.664 1.00 65.25 H new ATOM 0 HD2 PRO A 4 -1.458 7.817 -9.714 1.00 73.04 H new ATOM 0 HD3 PRO A 4 -2.208 6.234 -9.784 1.00 73.04 H new ATOM 66 N SER A 5 1.162 8.088 -12.145 1.00 45.24 N ATOM 67 CA SER A 5 2.108 9.053 -12.694 1.00 51.30 C ATOM 68 C SER A 5 3.446 8.388 -13.002 1.00 50.21 C ATOM 69 O SER A 5 4.174 7.984 -12.096 1.00 53.13 O ATOM 70 CB SER A 5 2.314 10.210 -11.715 1.00 2.34 C ATOM 71 OG SER A 5 1.419 10.117 -10.620 1.00 4.43 O ATOM 0 H SER A 5 0.768 8.350 -11.242 1.00 45.24 H new ATOM 0 HA SER A 5 1.693 9.442 -13.624 1.00 51.30 H new ATOM 0 HB2 SER A 5 3.341 10.204 -11.351 1.00 2.34 H new ATOM 0 HB3 SER A 5 2.165 11.158 -12.231 1.00 2.34 H new ATOM 0 HG SER A 5 1.572 10.867 -10.008 1.00 4.43 H new ATOM 77 N ASN A 6 3.763 8.278 -14.288 1.00 52.42 N ATOM 78 CA ASN A 6 5.013 7.662 -14.718 1.00 32.24 C ATOM 79 C ASN A 6 5.231 7.860 -16.214 1.00 43.34 C ATOM 80 O ASN A 6 4.711 7.103 -17.034 1.00 45.44 O ATOM 81 CB ASN A 6 5.010 6.168 -14.385 1.00 13.42 C ATOM 82 CG ASN A 6 6.375 5.670 -13.951 1.00 74.11 C ATOM 83 OD1 ASN A 6 7.374 5.888 -14.636 1.00 50.02 O ATOM 84 ND2 ASN A 6 6.422 4.996 -12.808 1.00 24.01 N ATOM 0 H ASN A 6 3.171 8.608 -15.051 1.00 52.42 H new ATOM 0 HA ASN A 6 5.830 8.146 -14.183 1.00 32.24 H new ATOM 0 HB2 ASN A 6 4.287 5.977 -13.592 1.00 13.42 H new ATOM 0 HB3 ASN A 6 4.681 5.604 -15.258 1.00 13.42 H new ATOM 0 HD21 ASN A 6 7.312 4.635 -12.465 1.00 24.01 H new ATOM 0 HD22 ASN A 6 5.568 4.839 -12.273 1.00 24.01 H new ATOM 91 N VAL A 7 6.005 8.884 -16.564 1.00 33.55 N ATOM 92 CA VAL A 7 6.294 9.181 -17.961 1.00 50.22 C ATOM 93 C VAL A 7 7.768 8.954 -18.278 1.00 31.03 C ATOM 94 O VAL A 7 8.127 8.616 -19.406 1.00 4.41 O ATOM 95 CB VAL A 7 5.922 10.634 -18.314 1.00 63.43 C ATOM 96 CG1 VAL A 7 4.416 10.831 -18.248 1.00 35.43 C ATOM 97 CG2 VAL A 7 6.637 11.606 -17.388 1.00 51.12 C ATOM 0 H VAL A 7 6.443 9.521 -15.898 1.00 33.55 H new ATOM 0 HA VAL A 7 5.688 8.502 -18.561 1.00 50.22 H new ATOM 0 HB VAL A 7 6.245 10.836 -19.335 1.00 63.43 H new ATOM 0 HG11 VAL A 7 4.173 11.863 -18.500 1.00 35.43 H new ATOM 0 HG12 VAL A 7 3.930 10.160 -18.956 1.00 35.43 H new ATOM 0 HG13 VAL A 7 4.064 10.611 -17.240 1.00 35.43 H new ATOM 0 HG21 VAL A 7 6.363 12.628 -17.651 1.00 51.12 H new ATOM 0 HG22 VAL A 7 6.346 11.407 -16.357 1.00 51.12 H new ATOM 0 HG23 VAL A 7 7.715 11.481 -17.492 1.00 51.12 H new ATOM 107 N LYS A 8 8.618 9.141 -17.274 1.00 64.22 N ATOM 108 CA LYS A 8 10.055 8.955 -17.443 1.00 73.13 C ATOM 109 C LYS A 8 10.529 7.697 -16.723 1.00 71.30 C ATOM 110 O LYS A 8 9.862 7.175 -15.829 1.00 52.42 O ATOM 111 CB LYS A 8 10.813 10.174 -16.915 1.00 3.41 C ATOM 112 CG LYS A 8 11.042 11.249 -17.963 1.00 42.51 C ATOM 113 CD LYS A 8 12.442 11.833 -17.867 1.00 12.21 C ATOM 114 CE LYS A 8 12.437 13.335 -18.109 1.00 64.35 C ATOM 115 NZ LYS A 8 13.809 13.861 -18.356 1.00 34.24 N ATOM 0 H LYS A 8 8.337 9.421 -16.334 1.00 64.22 H new ATOM 0 HA LYS A 8 10.259 8.841 -18.508 1.00 73.13 H new ATOM 0 HB2 LYS A 8 10.257 10.604 -16.081 1.00 3.41 H new ATOM 0 HB3 LYS A 8 11.777 9.850 -16.522 1.00 3.41 H new ATOM 0 HG2 LYS A 8 10.890 10.828 -18.957 1.00 42.51 H new ATOM 0 HG3 LYS A 8 10.306 12.043 -17.837 1.00 42.51 H new ATOM 0 HD2 LYS A 8 12.858 11.624 -16.882 1.00 12.21 H new ATOM 0 HD3 LYS A 8 13.091 11.348 -18.596 1.00 12.21 H new ATOM 0 HE2 LYS A 8 11.801 13.563 -18.964 1.00 64.35 H new ATOM 0 HE3 LYS A 8 12.004 13.841 -17.246 1.00 64.35 H new ATOM 0 HZ1 LYS A 8 13.764 14.888 -18.516 1.00 34.24 H new ATOM 0 HZ2 LYS A 8 14.410 13.666 -17.530 1.00 34.24 H new ATOM 0 HZ3 LYS A 8 14.213 13.397 -19.195 1.00 34.24 H new ATOM 129 N PRO A 9 11.709 7.197 -17.118 1.00 61.33 N ATOM 130 CA PRO A 9 12.299 5.995 -16.522 1.00 25.13 C ATOM 131 C PRO A 9 12.767 6.229 -15.089 1.00 64.24 C ATOM 132 O PRO A 9 12.518 5.411 -14.203 1.00 52.45 O ATOM 133 CB PRO A 9 13.493 5.697 -17.432 1.00 62.43 C ATOM 134 CG PRO A 9 13.851 7.013 -18.031 1.00 23.01 C ATOM 135 CD PRO A 9 12.558 7.766 -18.178 1.00 3.51 C ATOM 0 HA PRO A 9 11.581 5.178 -16.457 1.00 25.13 H new ATOM 0 HB2 PRO A 9 14.326 5.279 -16.867 1.00 62.43 H new ATOM 0 HB3 PRO A 9 13.233 4.970 -18.201 1.00 62.43 H new ATOM 0 HG2 PRO A 9 14.548 7.556 -17.393 1.00 23.01 H new ATOM 0 HG3 PRO A 9 14.339 6.882 -18.997 1.00 23.01 H new ATOM 0 HD2 PRO A 9 12.700 8.839 -18.046 1.00 3.51 H new ATOM 0 HD3 PRO A 9 12.119 7.622 -19.165 1.00 3.51 H new ATOM 143 N SER A 10 13.447 7.350 -14.869 1.00 72.22 N ATOM 144 CA SER A 10 13.953 7.689 -13.544 1.00 54.44 C ATOM 145 C SER A 10 12.809 7.821 -12.544 1.00 13.54 C ATOM 146 O SER A 10 11.648 8.005 -12.910 1.00 34.13 O ATOM 147 CB SER A 10 14.751 8.993 -13.599 1.00 12.42 C ATOM 148 OG SER A 10 14.277 9.839 -14.633 1.00 32.32 O ATOM 0 H SER A 10 13.660 8.038 -15.591 1.00 72.22 H new ATOM 0 HA SER A 10 14.609 6.883 -13.215 1.00 54.44 H new ATOM 0 HB2 SER A 10 14.678 9.508 -12.641 1.00 12.42 H new ATOM 0 HB3 SER A 10 15.806 8.771 -13.762 1.00 12.42 H new ATOM 0 HG SER A 10 14.803 10.666 -14.646 1.00 32.32 H new ATOM 154 N PRO A 11 13.143 7.726 -11.248 1.00 40.01 N ATOM 155 CA PRO A 11 12.159 7.832 -10.167 1.00 1.23 C ATOM 156 C PRO A 11 11.608 9.246 -10.021 1.00 51.53 C ATOM 157 O PRO A 11 11.859 10.111 -10.862 1.00 21.04 O ATOM 158 CB PRO A 11 12.957 7.439 -8.921 1.00 61.42 C ATOM 159 CG PRO A 11 14.372 7.755 -9.262 1.00 43.13 C ATOM 160 CD PRO A 11 14.508 7.508 -10.739 1.00 75.43 C ATOM 0 HA PRO A 11 11.287 7.204 -10.348 1.00 1.23 H new ATOM 0 HB2 PRO A 11 12.626 7.999 -8.046 1.00 61.42 H new ATOM 0 HB3 PRO A 11 12.833 6.381 -8.688 1.00 61.42 H new ATOM 0 HG2 PRO A 11 14.611 8.790 -9.016 1.00 43.13 H new ATOM 0 HG3 PRO A 11 15.059 7.126 -8.696 1.00 43.13 H new ATOM 0 HD2 PRO A 11 15.222 8.193 -11.197 1.00 75.43 H new ATOM 0 HD3 PRO A 11 14.858 6.497 -10.947 1.00 75.43 H new ATOM 168 N HIS A 12 10.856 9.476 -8.950 1.00 14.33 N ATOM 169 CA HIS A 12 10.270 10.787 -8.694 1.00 14.31 C ATOM 170 C HIS A 12 10.892 11.429 -7.457 1.00 73.42 C ATOM 171 O HIS A 12 11.259 10.739 -6.506 1.00 34.13 O ATOM 172 CB HIS A 12 8.756 10.666 -8.513 1.00 41.33 C ATOM 173 CG HIS A 12 8.002 11.885 -8.947 1.00 11.40 C ATOM 174 ND1 HIS A 12 7.731 12.942 -8.104 1.00 14.23 N ATOM 175 CD2 HIS A 12 7.462 12.213 -10.144 1.00 40.22 C ATOM 176 CE1 HIS A 12 7.055 13.866 -8.763 1.00 0.41 C ATOM 177 NE2 HIS A 12 6.879 13.449 -10.004 1.00 24.34 N ATOM 0 H HIS A 12 10.638 8.772 -8.245 1.00 14.33 H new ATOM 0 HA HIS A 12 10.476 11.423 -9.555 1.00 14.31 H new ATOM 0 HB2 HIS A 12 8.398 9.806 -9.080 1.00 41.33 H new ATOM 0 HB3 HIS A 12 8.538 10.469 -7.463 1.00 41.33 H new ATOM 0 HD2 HIS A 12 7.485 11.614 -11.042 1.00 40.22 H new ATOM 0 HE1 HIS A 12 6.705 14.803 -8.356 1.00 0.41 H new ATOM 0 HE2 HIS A 12 6.390 13.961 -10.738 1.00 24.34 H new ATOM 185 N VAL A 13 11.008 12.753 -7.478 1.00 62.41 N ATOM 186 CA VAL A 13 11.586 13.487 -6.359 1.00 14.03 C ATOM 187 C VAL A 13 10.575 13.650 -5.229 1.00 2.41 C ATOM 188 O VAL A 13 9.560 14.330 -5.384 1.00 4.41 O ATOM 189 CB VAL A 13 12.080 14.879 -6.796 1.00 30.32 C ATOM 190 CG1 VAL A 13 12.773 15.586 -5.641 1.00 50.33 C ATOM 191 CG2 VAL A 13 13.009 14.761 -7.995 1.00 11.43 C ATOM 0 H VAL A 13 10.709 13.339 -8.258 1.00 62.41 H new ATOM 0 HA VAL A 13 12.435 12.904 -6.002 1.00 14.03 H new ATOM 0 HB VAL A 13 11.217 15.477 -7.091 1.00 30.32 H new ATOM 0 HG11 VAL A 13 13.115 16.568 -5.968 1.00 50.33 H new ATOM 0 HG12 VAL A 13 12.073 15.703 -4.813 1.00 50.33 H new ATOM 0 HG13 VAL A 13 13.628 14.995 -5.313 1.00 50.33 H new ATOM 0 HG21 VAL A 13 13.349 15.753 -8.291 1.00 11.43 H new ATOM 0 HG22 VAL A 13 13.870 14.147 -7.729 1.00 11.43 H new ATOM 0 HG23 VAL A 13 12.475 14.298 -8.825 1.00 11.43 H new ATOM 201 N ILE A 14 10.860 13.023 -4.093 1.00 11.13 N ATOM 202 CA ILE A 14 9.976 13.100 -2.936 1.00 5.41 C ATOM 203 C ILE A 14 10.057 14.472 -2.274 1.00 32.34 C ATOM 204 O ILE A 14 11.123 15.084 -2.216 1.00 2.33 O ATOM 205 CB ILE A 14 10.317 12.019 -1.894 1.00 24.21 C ATOM 206 CG1 ILE A 14 10.176 10.625 -2.509 1.00 23.22 C ATOM 207 CG2 ILE A 14 9.421 12.158 -0.673 1.00 13.32 C ATOM 208 CD1 ILE A 14 11.447 10.117 -3.152 1.00 64.24 C ATOM 0 H ILE A 14 11.696 12.456 -3.949 1.00 11.13 H new ATOM 0 HA ILE A 14 8.962 12.934 -3.301 1.00 5.41 H new ATOM 0 HB ILE A 14 11.351 12.154 -1.578 1.00 24.21 H new ATOM 0 HG12 ILE A 14 9.866 9.924 -1.734 1.00 23.22 H new ATOM 0 HG13 ILE A 14 9.383 10.645 -3.257 1.00 23.22 H new ATOM 0 HG21 ILE A 14 9.675 11.387 0.054 1.00 13.32 H new ATOM 0 HG22 ILE A 14 9.566 13.141 -0.225 1.00 13.32 H new ATOM 0 HG23 ILE A 14 8.379 12.046 -0.972 1.00 13.32 H new ATOM 0 HD11 ILE A 14 11.273 9.124 -3.567 1.00 64.24 H new ATOM 0 HD12 ILE A 14 11.748 10.796 -3.950 1.00 64.24 H new ATOM 0 HD13 ILE A 14 12.238 10.064 -2.403 1.00 64.24 H new ATOM 220 N LYS A 15 8.922 14.948 -1.773 1.00 51.10 N ATOM 221 CA LYS A 15 8.862 16.246 -1.111 1.00 64.10 C ATOM 222 C LYS A 15 7.738 16.280 -0.081 1.00 1.13 C ATOM 223 O LYS A 15 7.140 17.327 0.164 1.00 15.42 O ATOM 224 CB LYS A 15 8.658 17.358 -2.142 1.00 11.31 C ATOM 225 CG LYS A 15 7.373 17.219 -2.940 1.00 63.04 C ATOM 226 CD LYS A 15 6.988 18.528 -3.609 1.00 34.21 C ATOM 227 CE LYS A 15 6.137 19.393 -2.691 1.00 63.13 C ATOM 228 NZ LYS A 15 4.780 19.633 -3.256 1.00 4.41 N ATOM 0 H LYS A 15 8.031 14.454 -1.813 1.00 51.10 H new ATOM 0 HA LYS A 15 9.808 16.407 -0.595 1.00 64.10 H new ATOM 0 HB2 LYS A 15 8.656 18.320 -1.630 1.00 11.31 H new ATOM 0 HB3 LYS A 15 9.504 17.364 -2.829 1.00 11.31 H new ATOM 0 HG2 LYS A 15 7.496 16.445 -3.697 1.00 63.04 H new ATOM 0 HG3 LYS A 15 6.567 16.895 -2.281 1.00 63.04 H new ATOM 0 HD2 LYS A 15 7.889 19.072 -3.892 1.00 34.21 H new ATOM 0 HD3 LYS A 15 6.439 18.321 -4.528 1.00 34.21 H new ATOM 0 HE2 LYS A 15 6.045 18.909 -1.718 1.00 63.13 H new ATOM 0 HE3 LYS A 15 6.636 20.348 -2.526 1.00 63.13 H new ATOM 0 HZ1 LYS A 15 4.231 20.226 -2.601 1.00 4.41 H new ATOM 0 HZ2 LYS A 15 4.866 20.117 -4.172 1.00 4.41 H new ATOM 0 HZ3 LYS A 15 4.294 18.723 -3.390 1.00 4.41 H new ATOM 242 N SER A 16 7.458 15.128 0.521 1.00 55.43 N ATOM 243 CA SER A 16 6.403 15.027 1.523 1.00 24.42 C ATOM 244 C SER A 16 6.715 13.922 2.529 1.00 50.32 C ATOM 245 O SER A 16 7.497 13.013 2.248 1.00 41.11 O ATOM 246 CB SER A 16 5.056 14.755 0.851 1.00 21.04 C ATOM 247 OG SER A 16 4.296 15.945 0.732 1.00 4.34 O ATOM 0 H SER A 16 7.946 14.253 0.333 1.00 55.43 H new ATOM 0 HA SER A 16 6.349 15.976 2.056 1.00 24.42 H new ATOM 0 HB2 SER A 16 5.219 14.324 -0.137 1.00 21.04 H new ATOM 0 HB3 SER A 16 4.498 14.020 1.431 1.00 21.04 H new ATOM 0 HG SER A 16 4.891 16.694 0.519 1.00 4.34 H new ATOM 253 N LEU A 17 6.098 14.008 3.702 1.00 54.01 N ATOM 254 CA LEU A 17 6.308 13.017 4.751 1.00 33.43 C ATOM 255 C LEU A 17 5.699 11.673 4.361 1.00 1.52 C ATOM 256 O LEU A 17 6.382 10.650 4.358 1.00 61.12 O ATOM 257 CB LEU A 17 5.699 13.502 6.068 1.00 1.00 C ATOM 258 CG LEU A 17 6.468 13.136 7.338 1.00 33.31 C ATOM 259 CD1 LEU A 17 7.805 13.859 7.380 1.00 30.31 C ATOM 260 CD2 LEU A 17 5.643 13.464 8.574 1.00 31.11 C ATOM 0 H LEU A 17 5.448 14.754 3.951 1.00 54.01 H new ATOM 0 HA LEU A 17 7.382 12.885 4.881 1.00 33.43 H new ATOM 0 HB2 LEU A 17 5.605 14.587 6.024 1.00 1.00 H new ATOM 0 HB3 LEU A 17 4.690 13.098 6.149 1.00 1.00 H new ATOM 0 HG LEU A 17 6.659 12.063 7.327 1.00 33.31 H new ATOM 0 HD11 LEU A 17 8.338 13.586 8.291 1.00 30.31 H new ATOM 0 HD12 LEU A 17 8.400 13.574 6.512 1.00 30.31 H new ATOM 0 HD13 LEU A 17 7.637 14.936 7.367 1.00 30.31 H new ATOM 0 HD21 LEU A 17 6.206 13.197 9.468 1.00 31.11 H new ATOM 0 HD22 LEU A 17 5.420 14.531 8.590 1.00 31.11 H new ATOM 0 HD23 LEU A 17 4.711 12.899 8.550 1.00 31.11 H new ATOM 272 N GLU A 18 4.411 11.686 4.031 1.00 4.52 N ATOM 273 CA GLU A 18 3.712 10.469 3.638 1.00 30.11 C ATOM 274 C GLU A 18 4.422 9.785 2.473 1.00 3.42 C ATOM 275 O GLU A 18 4.691 8.585 2.516 1.00 44.55 O ATOM 276 CB GLU A 18 2.266 10.787 3.252 1.00 31.00 C ATOM 277 CG GLU A 18 1.322 9.606 3.402 1.00 60.30 C ATOM 278 CD GLU A 18 1.027 9.275 4.852 1.00 10.22 C ATOM 279 OE1 GLU A 18 0.066 8.518 5.104 1.00 61.13 O ATOM 280 OE2 GLU A 18 1.756 9.773 5.735 1.00 11.41 O ATOM 0 H GLU A 18 3.831 12.525 4.028 1.00 4.52 H new ATOM 0 HA GLU A 18 3.712 9.790 4.490 1.00 30.11 H new ATOM 0 HB2 GLU A 18 1.906 11.610 3.870 1.00 31.00 H new ATOM 0 HB3 GLU A 18 2.242 11.131 2.218 1.00 31.00 H new ATOM 0 HG2 GLU A 18 0.387 9.825 2.886 1.00 60.30 H new ATOM 0 HG3 GLU A 18 1.758 8.733 2.915 1.00 60.30 H new ATOM 287 N GLU A 19 4.722 10.559 1.434 1.00 0.04 N ATOM 288 CA GLU A 19 5.400 10.028 0.258 1.00 74.25 C ATOM 289 C GLU A 19 6.721 9.368 0.642 1.00 51.31 C ATOM 290 O GLU A 19 7.124 8.367 0.048 1.00 1.21 O ATOM 291 CB GLU A 19 5.650 11.142 -0.760 1.00 43.35 C ATOM 292 CG GLU A 19 5.924 10.633 -2.166 1.00 33.14 C ATOM 293 CD GLU A 19 4.652 10.367 -2.948 1.00 11.34 C ATOM 294 OE1 GLU A 19 4.753 9.910 -4.105 1.00 72.43 O ATOM 295 OE2 GLU A 19 3.557 10.617 -2.403 1.00 14.13 O ATOM 0 H GLU A 19 4.506 11.555 1.383 1.00 0.04 H new ATOM 0 HA GLU A 19 4.755 9.273 -0.191 1.00 74.25 H new ATOM 0 HB2 GLU A 19 4.783 11.802 -0.784 1.00 43.35 H new ATOM 0 HB3 GLU A 19 6.497 11.742 -0.428 1.00 43.35 H new ATOM 0 HG2 GLU A 19 6.529 11.364 -2.702 1.00 33.14 H new ATOM 0 HG3 GLU A 19 6.509 9.715 -2.109 1.00 33.14 H new ATOM 302 N LEU A 20 7.391 9.937 1.638 1.00 20.52 N ATOM 303 CA LEU A 20 8.668 9.405 2.103 1.00 53.12 C ATOM 304 C LEU A 20 8.493 8.012 2.698 1.00 64.52 C ATOM 305 O LEU A 20 9.039 7.034 2.186 1.00 45.35 O ATOM 306 CB LEU A 20 9.285 10.342 3.142 1.00 12.43 C ATOM 307 CG LEU A 20 10.801 10.524 3.066 1.00 41.42 C ATOM 308 CD1 LEU A 20 11.172 11.429 1.901 1.00 61.00 C ATOM 309 CD2 LEU A 20 11.337 11.089 4.373 1.00 22.45 C ATOM 0 H LEU A 20 7.072 10.766 2.139 1.00 20.52 H new ATOM 0 HA LEU A 20 9.337 9.332 1.246 1.00 53.12 H new ATOM 0 HB2 LEU A 20 8.816 11.321 3.043 1.00 12.43 H new ATOM 0 HB3 LEU A 20 9.034 9.968 4.134 1.00 12.43 H new ATOM 0 HG LEU A 20 11.257 9.548 2.901 1.00 41.42 H new ATOM 0 HD11 LEU A 20 12.255 11.547 1.863 1.00 61.00 H new ATOM 0 HD12 LEU A 20 10.822 10.985 0.969 1.00 61.00 H new ATOM 0 HD13 LEU A 20 10.705 12.405 2.035 1.00 61.00 H new ATOM 0 HD21 LEU A 20 12.418 11.212 4.300 1.00 22.45 H new ATOM 0 HD22 LEU A 20 10.874 12.056 4.568 1.00 22.45 H new ATOM 0 HD23 LEU A 20 11.104 10.404 5.188 1.00 22.45 H new ATOM 321 N ARG A 21 7.727 7.928 3.781 1.00 64.33 N ATOM 322 CA ARG A 21 7.480 6.654 4.445 1.00 61.42 C ATOM 323 C ARG A 21 6.712 5.704 3.530 1.00 14.14 C ATOM 324 O ARG A 21 6.653 4.500 3.779 1.00 13.40 O ATOM 325 CB ARG A 21 6.699 6.873 5.742 1.00 41.43 C ATOM 326 CG ARG A 21 6.327 5.584 6.455 1.00 70.44 C ATOM 327 CD ARG A 21 6.419 5.735 7.965 1.00 44.21 C ATOM 328 NE ARG A 21 7.782 5.536 8.453 1.00 54.44 N ATOM 329 CZ ARG A 21 8.356 4.344 8.562 1.00 64.14 C ATOM 330 NH1 ARG A 21 7.691 3.250 8.219 1.00 71.42 N ATOM 331 NH2 ARG A 21 9.600 4.244 9.014 1.00 51.21 N ATOM 0 H ARG A 21 7.267 8.727 4.217 1.00 64.33 H new ATOM 0 HA ARG A 21 8.444 6.203 4.681 1.00 61.42 H new ATOM 0 HB2 ARG A 21 7.294 7.491 6.414 1.00 41.43 H new ATOM 0 HB3 ARG A 21 5.789 7.430 5.518 1.00 41.43 H new ATOM 0 HG2 ARG A 21 5.313 5.294 6.179 1.00 70.44 H new ATOM 0 HG3 ARG A 21 6.989 4.782 6.128 1.00 70.44 H new ATOM 0 HD2 ARG A 21 6.073 6.728 8.252 1.00 44.21 H new ATOM 0 HD3 ARG A 21 5.754 5.015 8.443 1.00 44.21 H new ATOM 0 HE ARG A 21 8.322 6.358 8.725 1.00 54.44 H new ATOM 0 HH11 ARG A 21 6.735 3.322 7.870 1.00 71.42 H new ATOM 0 HH12 ARG A 21 8.135 2.336 8.304 1.00 71.42 H new ATOM 0 HH21 ARG A 21 10.116 5.083 9.278 1.00 51.21 H new ATOM 0 HH22 ARG A 21 10.040 3.328 9.097 1.00 51.21 H new ATOM 345 N GLU A 22 6.124 6.255 2.473 1.00 42.13 N ATOM 346 CA GLU A 22 5.358 5.457 1.523 1.00 64.33 C ATOM 347 C GLU A 22 6.286 4.647 0.621 1.00 54.24 C ATOM 348 O GLU A 22 6.208 3.420 0.575 1.00 63.13 O ATOM 349 CB GLU A 22 4.460 6.358 0.673 1.00 64.35 C ATOM 350 CG GLU A 22 3.733 5.618 -0.438 1.00 14.44 C ATOM 351 CD GLU A 22 2.612 6.438 -1.047 1.00 41.25 C ATOM 352 OE1 GLU A 22 1.615 6.696 -0.341 1.00 52.54 O ATOM 353 OE2 GLU A 22 2.732 6.821 -2.230 1.00 2.21 O ATOM 0 H GLU A 22 6.163 7.250 2.253 1.00 42.13 H new ATOM 0 HA GLU A 22 4.734 4.765 2.088 1.00 64.33 H new ATOM 0 HB2 GLU A 22 3.726 6.839 1.319 1.00 64.35 H new ATOM 0 HB3 GLU A 22 5.066 7.151 0.234 1.00 64.35 H new ATOM 0 HG2 GLU A 22 4.446 5.348 -1.217 1.00 14.44 H new ATOM 0 HG3 GLU A 22 3.325 4.687 -0.043 1.00 14.44 H new ATOM 360 N ALA A 23 7.161 5.344 -0.096 1.00 4.42 N ATOM 361 CA ALA A 23 8.104 4.692 -0.995 1.00 63.45 C ATOM 362 C ALA A 23 8.936 3.649 -0.257 1.00 20.24 C ATOM 363 O ALA A 23 9.431 2.694 -0.857 1.00 40.31 O ATOM 364 CB ALA A 23 9.010 5.724 -1.651 1.00 14.02 C ATOM 0 H ALA A 23 7.236 6.361 -0.071 1.00 4.42 H new ATOM 0 HA ALA A 23 7.533 4.181 -1.770 1.00 63.45 H new ATOM 0 HB1 ALA A 23 9.709 5.222 -2.320 1.00 14.02 H new ATOM 0 HB2 ALA A 23 8.405 6.429 -2.221 1.00 14.02 H new ATOM 0 HB3 ALA A 23 9.566 6.261 -0.882 1.00 14.02 H new ATOM 370 N THR A 24 9.087 3.837 1.051 1.00 63.02 N ATOM 371 CA THR A 24 9.861 2.914 1.871 1.00 32.24 C ATOM 372 C THR A 24 9.047 1.673 2.220 1.00 54.14 C ATOM 373 O THR A 24 9.569 0.559 2.228 1.00 74.34 O ATOM 374 CB THR A 24 10.337 3.584 3.174 1.00 32.22 C ATOM 375 OG1 THR A 24 9.238 4.239 3.818 1.00 62.10 O ATOM 376 CG2 THR A 24 11.440 4.592 2.892 1.00 4.23 C ATOM 0 H THR A 24 8.683 4.620 1.564 1.00 63.02 H new ATOM 0 HA THR A 24 10.730 2.622 1.282 1.00 32.24 H new ATOM 0 HB THR A 24 10.733 2.810 3.831 1.00 32.22 H new ATOM 0 HG1 THR A 24 8.395 3.917 3.435 1.00 62.10 H new ATOM 0 HG21 THR A 24 11.760 5.052 3.827 1.00 4.23 H new ATOM 0 HG22 THR A 24 12.286 4.085 2.429 1.00 4.23 H new ATOM 0 HG23 THR A 24 11.065 5.362 2.218 1.00 4.23 H new ATOM 384 N ALA A 25 7.764 1.874 2.506 1.00 25.42 N ATOM 385 CA ALA A 25 6.877 0.770 2.852 1.00 24.04 C ATOM 386 C ALA A 25 6.614 -0.123 1.644 1.00 4.34 C ATOM 387 O ALA A 25 6.279 -1.298 1.790 1.00 12.04 O ATOM 388 CB ALA A 25 5.567 1.302 3.413 1.00 11.12 C ATOM 0 H ALA A 25 7.316 2.791 2.505 1.00 25.42 H new ATOM 0 HA ALA A 25 7.369 0.167 3.616 1.00 24.04 H new ATOM 0 HB1 ALA A 25 4.914 0.467 3.667 1.00 11.12 H new ATOM 0 HB2 ALA A 25 5.767 1.891 4.308 1.00 11.12 H new ATOM 0 HB3 ALA A 25 5.080 1.929 2.667 1.00 11.12 H new ATOM 394 N SER A 26 6.768 0.443 0.452 1.00 43.25 N ATOM 395 CA SER A 26 6.543 -0.301 -0.782 1.00 52.32 C ATOM 396 C SER A 26 7.385 -1.573 -0.811 1.00 53.32 C ATOM 397 O SER A 26 8.314 -1.733 -0.021 1.00 71.01 O ATOM 398 CB SER A 26 6.873 0.571 -1.996 1.00 30.34 C ATOM 399 OG SER A 26 5.798 0.587 -2.919 1.00 65.24 O ATOM 0 H SER A 26 7.048 1.414 0.314 1.00 43.25 H new ATOM 0 HA SER A 26 5.491 -0.582 -0.821 1.00 52.32 H new ATOM 0 HB2 SER A 26 7.091 1.588 -1.669 1.00 30.34 H new ATOM 0 HB3 SER A 26 7.771 0.194 -2.485 1.00 30.34 H new ATOM 0 HG SER A 26 6.033 1.152 -3.685 1.00 65.24 H new ATOM 405 N ASN A 27 7.051 -2.475 -1.729 1.00 3.33 N ATOM 406 CA ASN A 27 7.775 -3.734 -1.861 1.00 45.44 C ATOM 407 C ASN A 27 8.902 -3.608 -2.882 1.00 42.04 C ATOM 408 O ASN A 27 9.094 -4.488 -3.722 1.00 20.03 O ATOM 409 CB ASN A 27 6.820 -4.855 -2.275 1.00 52.42 C ATOM 410 CG ASN A 27 6.319 -4.692 -3.697 1.00 53.42 C ATOM 411 OD1 ASN A 27 6.391 -3.605 -4.272 1.00 30.30 O ATOM 412 ND2 ASN A 27 5.807 -5.774 -4.272 1.00 14.15 N ATOM 0 H ASN A 27 6.284 -2.357 -2.392 1.00 3.33 H new ATOM 0 HA ASN A 27 8.211 -3.977 -0.892 1.00 45.44 H new ATOM 0 HB2 ASN A 27 7.328 -5.815 -2.179 1.00 52.42 H new ATOM 0 HB3 ASN A 27 5.970 -4.875 -1.593 1.00 52.42 H new ATOM 0 HD21 ASN A 27 5.454 -5.725 -5.228 1.00 14.15 H new ATOM 0 HD22 ASN A 27 5.767 -6.654 -3.758 1.00 14.15 H new ATOM 419 N ARG A 28 9.645 -2.509 -2.804 1.00 13.52 N ATOM 420 CA ARG A 28 10.752 -2.267 -3.721 1.00 71.20 C ATOM 421 C ARG A 28 12.005 -1.842 -2.961 1.00 31.32 C ATOM 422 O ARG A 28 12.053 -1.919 -1.733 1.00 4.22 O ATOM 423 CB ARG A 28 10.372 -1.192 -4.741 1.00 62.20 C ATOM 424 CG ARG A 28 9.066 -1.474 -5.465 1.00 61.24 C ATOM 425 CD ARG A 28 9.235 -1.382 -6.974 1.00 33.50 C ATOM 426 NE ARG A 28 7.950 -1.327 -7.666 1.00 12.41 N ATOM 427 CZ ARG A 28 7.214 -0.225 -7.762 1.00 44.44 C ATOM 428 NH1 ARG A 28 7.635 0.907 -7.214 1.00 51.24 N ATOM 429 NH2 ARG A 28 6.056 -0.253 -8.409 1.00 33.15 N ATOM 0 H ARG A 28 9.500 -1.771 -2.114 1.00 13.52 H new ATOM 0 HA ARG A 28 10.965 -3.198 -4.247 1.00 71.20 H new ATOM 0 HB2 ARG A 28 10.295 -0.231 -4.232 1.00 62.20 H new ATOM 0 HB3 ARG A 28 11.172 -1.101 -5.475 1.00 62.20 H new ATOM 0 HG2 ARG A 28 8.708 -2.468 -5.198 1.00 61.24 H new ATOM 0 HG3 ARG A 28 8.307 -0.763 -5.139 1.00 61.24 H new ATOM 0 HD2 ARG A 28 9.818 -0.494 -7.220 1.00 33.50 H new ATOM 0 HD3 ARG A 28 9.801 -2.243 -7.329 1.00 33.50 H new ATOM 0 HE ARG A 28 7.599 -2.181 -8.099 1.00 12.41 H new ATOM 0 HH11 ARG A 28 8.526 0.933 -6.718 1.00 51.24 H new ATOM 0 HH12 ARG A 28 7.068 1.752 -7.289 1.00 51.24 H new ATOM 0 HH21 ARG A 28 5.730 -1.121 -8.833 1.00 33.15 H new ATOM 0 HH22 ARG A 28 5.492 0.594 -8.482 1.00 33.15 H new ATOM 443 N ILE A 29 13.015 -1.395 -3.699 1.00 23.31 N ATOM 444 CA ILE A 29 14.267 -0.958 -3.094 1.00 64.12 C ATOM 445 C ILE A 29 14.708 0.389 -3.656 1.00 42.30 C ATOM 446 O ILE A 29 15.136 0.484 -4.806 1.00 73.25 O ATOM 447 CB ILE A 29 15.391 -1.988 -3.319 1.00 13.52 C ATOM 448 CG1 ILE A 29 14.902 -3.394 -2.966 1.00 13.33 C ATOM 449 CG2 ILE A 29 16.615 -1.624 -2.493 1.00 4.23 C ATOM 450 CD1 ILE A 29 14.667 -4.273 -4.174 1.00 13.10 C ATOM 0 H ILE A 29 12.991 -1.326 -4.716 1.00 23.31 H new ATOM 0 HA ILE A 29 14.083 -0.860 -2.024 1.00 64.12 H new ATOM 0 HB ILE A 29 15.671 -1.975 -4.372 1.00 13.52 H new ATOM 0 HG12 ILE A 29 15.635 -3.872 -2.316 1.00 13.33 H new ATOM 0 HG13 ILE A 29 13.975 -3.316 -2.398 1.00 13.33 H new ATOM 0 HG21 ILE A 29 17.400 -2.361 -2.662 1.00 4.23 H new ATOM 0 HG22 ILE A 29 16.973 -0.638 -2.788 1.00 4.23 H new ATOM 0 HG23 ILE A 29 16.350 -1.613 -1.436 1.00 4.23 H new ATOM 0 HD11 ILE A 29 14.322 -5.254 -3.848 1.00 13.10 H new ATOM 0 HD12 ILE A 29 13.912 -3.817 -4.815 1.00 13.10 H new ATOM 0 HD13 ILE A 29 15.598 -4.382 -4.731 1.00 13.10 H new ATOM 462 N SER A 30 14.603 1.430 -2.835 1.00 74.44 N ATOM 463 CA SER A 30 14.988 2.773 -3.251 1.00 5.12 C ATOM 464 C SER A 30 16.107 3.315 -2.366 1.00 20.00 C ATOM 465 O SER A 30 16.110 3.107 -1.153 1.00 4.25 O ATOM 466 CB SER A 30 13.782 3.712 -3.199 1.00 53.02 C ATOM 467 OG SER A 30 12.567 2.982 -3.210 1.00 50.44 O ATOM 0 H SER A 30 14.255 1.368 -1.878 1.00 74.44 H new ATOM 0 HA SER A 30 15.352 2.718 -4.277 1.00 5.12 H new ATOM 0 HB2 SER A 30 13.833 4.326 -2.300 1.00 53.02 H new ATOM 0 HB3 SER A 30 13.809 4.392 -4.051 1.00 53.02 H new ATOM 0 HG SER A 30 12.306 2.796 -4.136 1.00 50.44 H new ATOM 473 N VAL A 31 17.056 4.011 -2.983 1.00 44.40 N ATOM 474 CA VAL A 31 18.181 4.585 -2.253 1.00 34.10 C ATOM 475 C VAL A 31 17.940 6.058 -1.942 1.00 61.11 C ATOM 476 O VAL A 31 18.110 6.920 -2.804 1.00 43.44 O ATOM 477 CB VAL A 31 19.494 4.447 -3.046 1.00 31.32 C ATOM 478 CG1 VAL A 31 20.693 4.579 -2.120 1.00 3.02 C ATOM 479 CG2 VAL A 31 19.529 3.121 -3.791 1.00 32.11 C ATOM 0 H VAL A 31 17.069 4.191 -3.987 1.00 44.40 H new ATOM 0 HA VAL A 31 18.269 4.029 -1.319 1.00 34.10 H new ATOM 0 HB VAL A 31 19.542 5.252 -3.780 1.00 31.32 H new ATOM 0 HG11 VAL A 31 21.612 4.479 -2.698 1.00 3.02 H new ATOM 0 HG12 VAL A 31 20.673 5.556 -1.636 1.00 3.02 H new ATOM 0 HG13 VAL A 31 20.655 3.797 -1.361 1.00 3.02 H new ATOM 0 HG21 VAL A 31 20.464 3.040 -4.346 1.00 32.11 H new ATOM 0 HG22 VAL A 31 19.459 2.300 -3.077 1.00 32.11 H new ATOM 0 HG23 VAL A 31 18.690 3.071 -4.485 1.00 32.11 H new ATOM 489 N ILE A 32 17.544 6.339 -0.705 1.00 71.24 N ATOM 490 CA ILE A 32 17.282 7.708 -0.280 1.00 55.13 C ATOM 491 C ILE A 32 18.582 8.474 -0.061 1.00 54.42 C ATOM 492 O ILE A 32 19.217 8.354 0.986 1.00 22.41 O ATOM 493 CB ILE A 32 16.452 7.746 1.017 1.00 72.23 C ATOM 494 CG1 ILE A 32 15.191 6.892 0.866 1.00 21.13 C ATOM 495 CG2 ILE A 32 16.088 9.180 1.371 1.00 33.20 C ATOM 496 CD1 ILE A 32 15.233 5.607 1.663 1.00 63.31 C ATOM 0 H ILE A 32 17.398 5.637 0.020 1.00 71.24 H new ATOM 0 HA ILE A 32 16.713 8.183 -1.079 1.00 55.13 H new ATOM 0 HB ILE A 32 17.053 7.334 1.828 1.00 72.23 H new ATOM 0 HG12 ILE A 32 14.326 7.477 1.180 1.00 21.13 H new ATOM 0 HG13 ILE A 32 15.048 6.652 -0.188 1.00 21.13 H new ATOM 0 HG21 ILE A 32 15.502 9.190 2.290 1.00 33.20 H new ATOM 0 HG22 ILE A 32 16.999 9.762 1.515 1.00 33.20 H new ATOM 0 HG23 ILE A 32 15.503 9.617 0.562 1.00 33.20 H new ATOM 0 HD11 ILE A 32 14.307 5.053 1.508 1.00 63.31 H new ATOM 0 HD12 ILE A 32 16.078 5.002 1.334 1.00 63.31 H new ATOM 0 HD13 ILE A 32 15.344 5.839 2.722 1.00 63.31 H new ATOM 508 N VAL A 33 18.971 9.265 -1.056 1.00 40.13 N ATOM 509 CA VAL A 33 20.194 10.054 -0.972 1.00 1.31 C ATOM 510 C VAL A 33 19.896 11.484 -0.534 1.00 64.03 C ATOM 511 O VAL A 33 19.063 12.167 -1.131 1.00 22.53 O ATOM 512 CB VAL A 33 20.936 10.086 -2.321 1.00 51.04 C ATOM 513 CG1 VAL A 33 22.273 10.798 -2.179 1.00 73.44 C ATOM 514 CG2 VAL A 33 21.128 8.675 -2.857 1.00 12.13 C ATOM 0 H VAL A 33 18.457 9.376 -1.930 1.00 40.13 H new ATOM 0 HA VAL A 33 20.830 9.574 -0.228 1.00 1.31 H new ATOM 0 HB VAL A 33 20.330 10.642 -3.036 1.00 51.04 H new ATOM 0 HG11 VAL A 33 22.783 10.811 -3.142 1.00 73.44 H new ATOM 0 HG12 VAL A 33 22.106 11.822 -1.843 1.00 73.44 H new ATOM 0 HG13 VAL A 33 22.889 10.273 -1.449 1.00 73.44 H new ATOM 0 HG21 VAL A 33 21.654 8.717 -3.811 1.00 12.13 H new ATOM 0 HG22 VAL A 33 21.713 8.092 -2.145 1.00 12.13 H new ATOM 0 HG23 VAL A 33 20.155 8.204 -2.999 1.00 12.13 H new ATOM 524 N PHE A 34 20.583 11.932 0.511 1.00 4.04 N ATOM 525 CA PHE A 34 20.393 13.281 1.030 1.00 14.51 C ATOM 526 C PHE A 34 21.454 14.230 0.481 1.00 51.41 C ATOM 527 O PHE A 34 22.651 13.953 0.556 1.00 23.24 O ATOM 528 CB PHE A 34 20.441 13.274 2.559 1.00 0.44 C ATOM 529 CG PHE A 34 20.588 14.643 3.161 1.00 74.21 C ATOM 530 CD1 PHE A 34 21.452 14.859 4.222 1.00 34.33 C ATOM 531 CD2 PHE A 34 19.861 15.713 2.665 1.00 12.32 C ATOM 532 CE1 PHE A 34 21.589 16.117 4.778 1.00 62.21 C ATOM 533 CE2 PHE A 34 19.995 16.974 3.216 1.00 35.33 C ATOM 534 CZ PHE A 34 20.859 17.175 4.275 1.00 52.43 C ATOM 0 H PHE A 34 21.277 11.380 1.015 1.00 4.04 H new ATOM 0 HA PHE A 34 19.414 13.633 0.706 1.00 14.51 H new ATOM 0 HB2 PHE A 34 19.530 12.814 2.941 1.00 0.44 H new ATOM 0 HB3 PHE A 34 21.274 12.651 2.886 1.00 0.44 H new ATOM 0 HD1 PHE A 34 22.025 14.035 4.620 1.00 34.33 H new ATOM 0 HD2 PHE A 34 19.182 15.560 1.839 1.00 12.32 H new ATOM 0 HE1 PHE A 34 22.266 16.272 5.605 1.00 62.21 H new ATOM 0 HE2 PHE A 34 19.425 17.801 2.819 1.00 35.33 H new ATOM 0 HZ PHE A 34 20.963 18.159 4.709 1.00 52.43 H new ATOM 544 N THR A 35 21.006 15.353 -0.073 1.00 71.34 N ATOM 545 CA THR A 35 21.915 16.342 -0.637 1.00 40.52 C ATOM 546 C THR A 35 21.334 17.748 -0.529 1.00 21.45 C ATOM 547 O THR A 35 20.145 17.920 -0.260 1.00 34.51 O ATOM 548 CB THR A 35 22.227 16.041 -2.115 1.00 50.13 C ATOM 549 OG1 THR A 35 23.327 16.844 -2.557 1.00 63.13 O ATOM 550 CG2 THR A 35 21.012 16.311 -2.991 1.00 23.45 C ATOM 0 H THR A 35 20.019 15.600 -0.143 1.00 71.34 H new ATOM 0 HA THR A 35 22.838 16.287 -0.060 1.00 40.52 H new ATOM 0 HB THR A 35 22.490 14.987 -2.200 1.00 50.13 H new ATOM 0 HG1 THR A 35 23.520 16.645 -3.497 1.00 63.13 H new ATOM 0 HG21 THR A 35 21.257 16.091 -4.030 1.00 23.45 H new ATOM 0 HG22 THR A 35 20.185 15.677 -2.671 1.00 23.45 H new ATOM 0 HG23 THR A 35 20.723 17.358 -2.900 1.00 23.45 H new ATOM 558 N HIS A 36 22.180 18.751 -0.740 1.00 23.15 N ATOM 559 CA HIS A 36 21.750 20.143 -0.666 1.00 74.54 C ATOM 560 C HIS A 36 21.594 20.737 -2.063 1.00 13.12 C ATOM 561 O HIS A 36 22.565 21.138 -2.705 1.00 75.33 O ATOM 562 CB HIS A 36 22.752 20.967 0.143 1.00 74.34 C ATOM 563 CG HIS A 36 22.805 20.590 1.591 1.00 5.43 C ATOM 564 ND1 HIS A 36 23.848 20.942 2.422 1.00 65.01 N ATOM 565 CD2 HIS A 36 21.936 19.890 2.357 1.00 2.30 C ATOM 566 CE1 HIS A 36 23.619 20.473 3.635 1.00 24.04 C ATOM 567 NE2 HIS A 36 22.465 19.831 3.623 1.00 40.20 N ATOM 0 H HIS A 36 23.167 18.626 -0.964 1.00 23.15 H new ATOM 0 HA HIS A 36 20.781 20.173 -0.167 1.00 74.54 H new ATOM 0 HB2 HIS A 36 23.744 20.847 -0.292 1.00 74.34 H new ATOM 0 HB3 HIS A 36 22.493 22.023 0.060 1.00 74.34 H new ATOM 0 HD1 HIS A 36 24.668 21.480 2.143 1.00 65.01 H new ATOM 0 HD2 HIS A 36 21.001 19.458 2.033 1.00 2.30 H new ATOM 0 HE1 HIS A 36 24.266 20.594 4.491 1.00 24.04 H new ATOM 575 N PRO A 37 20.344 20.796 -2.545 1.00 74.24 N ATOM 576 CA PRO A 37 20.031 21.340 -3.870 1.00 64.45 C ATOM 577 C PRO A 37 20.234 22.849 -3.940 1.00 51.30 C ATOM 578 O PRO A 37 20.171 23.445 -5.016 1.00 31.32 O ATOM 579 CB PRO A 37 18.553 20.989 -4.058 1.00 42.24 C ATOM 580 CG PRO A 37 18.013 20.872 -2.675 1.00 52.40 C ATOM 581 CD PRO A 37 19.139 20.337 -1.834 1.00 74.55 C ATOM 0 HA PRO A 37 20.682 20.930 -4.643 1.00 64.45 H new ATOM 0 HB2 PRO A 37 18.031 21.762 -4.623 1.00 42.24 H new ATOM 0 HB3 PRO A 37 18.435 20.056 -4.610 1.00 42.24 H new ATOM 0 HG2 PRO A 37 17.675 21.840 -2.305 1.00 52.40 H new ATOM 0 HG3 PRO A 37 17.153 20.203 -2.647 1.00 52.40 H new ATOM 0 HD2 PRO A 37 19.100 20.726 -0.816 1.00 74.55 H new ATOM 0 HD3 PRO A 37 19.105 19.250 -1.761 1.00 74.55 H new ATOM 589 N ASP A 38 20.478 23.462 -2.787 1.00 54.50 N ATOM 590 CA ASP A 38 20.691 24.903 -2.718 1.00 1.45 C ATOM 591 C ASP A 38 22.180 25.230 -2.671 1.00 44.40 C ATOM 592 O ASP A 38 22.578 26.291 -2.190 1.00 44.31 O ATOM 593 CB ASP A 38 19.990 25.486 -1.489 1.00 72.34 C ATOM 594 CG ASP A 38 20.820 25.346 -0.228 1.00 53.13 C ATOM 595 OD1 ASP A 38 21.102 24.197 0.172 1.00 0.34 O ATOM 596 OD2 ASP A 38 21.188 26.386 0.357 1.00 35.44 O ATOM 0 H ASP A 38 20.533 22.984 -1.888 1.00 54.50 H new ATOM 0 HA ASP A 38 20.266 25.351 -3.616 1.00 1.45 H new ATOM 0 HB2 ASP A 38 19.774 26.540 -1.663 1.00 72.34 H new ATOM 0 HB3 ASP A 38 19.033 24.984 -1.348 1.00 72.34 H new ATOM 601 N SER A 39 22.999 24.311 -3.173 1.00 51.31 N ATOM 602 CA SER A 39 24.445 24.500 -3.184 1.00 71.44 C ATOM 603 C SER A 39 25.036 24.086 -4.529 1.00 21.04 C ATOM 604 O SER A 39 24.784 22.985 -5.019 1.00 24.02 O ATOM 605 CB SER A 39 25.094 23.692 -2.059 1.00 4.54 C ATOM 606 OG SER A 39 26.501 23.635 -2.219 1.00 22.33 O ATOM 0 H SER A 39 22.686 23.428 -3.577 1.00 51.31 H new ATOM 0 HA SER A 39 24.650 25.559 -3.027 1.00 71.44 H new ATOM 0 HB2 SER A 39 24.852 24.143 -1.097 1.00 4.54 H new ATOM 0 HB3 SER A 39 24.685 22.682 -2.049 1.00 4.54 H new ATOM 0 HG SER A 39 26.919 23.409 -1.362 1.00 22.33 H new ATOM 612 N LYS A 40 25.824 24.977 -5.120 1.00 41.15 N ATOM 613 CA LYS A 40 26.454 24.707 -6.408 1.00 33.04 C ATOM 614 C LYS A 40 27.698 23.843 -6.234 1.00 24.43 C ATOM 615 O LYS A 40 27.838 22.802 -6.876 1.00 75.15 O ATOM 616 CB LYS A 40 26.824 26.019 -7.103 1.00 1.13 C ATOM 617 CG LYS A 40 26.739 25.950 -8.618 1.00 32.13 C ATOM 618 CD LYS A 40 25.298 25.987 -9.097 1.00 55.23 C ATOM 619 CE LYS A 40 24.988 24.822 -10.024 1.00 62.51 C ATOM 620 NZ LYS A 40 23.851 25.125 -10.937 1.00 22.04 N ATOM 0 H LYS A 40 26.042 25.893 -4.728 1.00 41.15 H new ATOM 0 HA LYS A 40 25.740 24.164 -7.027 1.00 33.04 H new ATOM 0 HB2 LYS A 40 26.163 26.809 -6.746 1.00 1.13 H new ATOM 0 HB3 LYS A 40 27.838 26.299 -6.817 1.00 1.13 H new ATOM 0 HG2 LYS A 40 27.290 26.784 -9.053 1.00 32.13 H new ATOM 0 HG3 LYS A 40 27.217 25.035 -8.969 1.00 32.13 H new ATOM 0 HD2 LYS A 40 24.627 25.958 -8.238 1.00 55.23 H new ATOM 0 HD3 LYS A 40 25.110 26.927 -9.617 1.00 55.23 H new ATOM 0 HE2 LYS A 40 25.873 24.582 -10.614 1.00 62.51 H new ATOM 0 HE3 LYS A 40 24.751 23.939 -9.430 1.00 62.51 H new ATOM 0 HZ1 LYS A 40 23.672 24.306 -11.552 1.00 22.04 H new ATOM 0 HZ2 LYS A 40 23.000 25.329 -10.375 1.00 22.04 H new ATOM 0 HZ3 LYS A 40 24.086 25.952 -11.522 1.00 22.04 H new ATOM 634 N ARG A 41 28.600 24.280 -5.360 1.00 74.22 N ATOM 635 CA ARG A 41 29.832 23.545 -5.102 1.00 3.40 C ATOM 636 C ARG A 41 29.539 22.078 -4.803 1.00 54.13 C ATOM 637 O ARG A 41 30.344 21.199 -5.109 1.00 30.20 O ATOM 638 CB ARG A 41 30.590 24.174 -3.931 1.00 35.34 C ATOM 639 CG ARG A 41 31.365 25.426 -4.308 1.00 33.42 C ATOM 640 CD ARG A 41 31.784 26.213 -3.076 1.00 52.34 C ATOM 641 NE ARG A 41 32.727 27.279 -3.404 1.00 12.44 N ATOM 642 CZ ARG A 41 33.989 27.062 -3.756 1.00 72.44 C ATOM 643 NH1 ARG A 41 34.456 25.823 -3.828 1.00 23.02 N ATOM 644 NH2 ARG A 41 34.786 28.084 -4.039 1.00 51.12 N ATOM 0 H ARG A 41 28.500 25.139 -4.819 1.00 74.22 H new ATOM 0 HA ARG A 41 30.451 23.598 -5.998 1.00 3.40 H new ATOM 0 HB2 ARG A 41 29.881 24.420 -3.141 1.00 35.34 H new ATOM 0 HB3 ARG A 41 31.282 23.439 -3.520 1.00 35.34 H new ATOM 0 HG2 ARG A 41 32.249 25.149 -4.882 1.00 33.42 H new ATOM 0 HG3 ARG A 41 30.751 26.056 -4.952 1.00 33.42 H new ATOM 0 HD2 ARG A 41 30.901 26.643 -2.602 1.00 52.34 H new ATOM 0 HD3 ARG A 41 32.238 25.537 -2.351 1.00 52.34 H new ATOM 0 HE ARG A 41 32.398 28.244 -3.360 1.00 12.44 H new ATOM 0 HH11 ARG A 41 33.846 25.035 -3.613 1.00 23.02 H new ATOM 0 HH12 ARG A 41 35.426 25.658 -4.099 1.00 23.02 H new ATOM 0 HH21 ARG A 41 34.430 29.038 -3.986 1.00 51.12 H new ATOM 0 HH22 ARG A 41 35.755 27.915 -4.309 1.00 51.12 H new ATOM 658 N SER A 42 28.380 21.822 -4.204 1.00 23.11 N ATOM 659 CA SER A 42 27.982 20.462 -3.860 1.00 30.02 C ATOM 660 C SER A 42 26.865 19.974 -4.778 1.00 2.33 C ATOM 661 O SER A 42 25.712 19.853 -4.363 1.00 4.12 O ATOM 662 CB SER A 42 27.524 20.396 -2.401 1.00 65.54 C ATOM 663 OG SER A 42 28.625 20.203 -1.530 1.00 2.11 O ATOM 0 H SER A 42 27.701 22.538 -3.947 1.00 23.11 H new ATOM 0 HA SER A 42 28.847 19.812 -3.992 1.00 30.02 H new ATOM 0 HB2 SER A 42 27.005 21.317 -2.137 1.00 65.54 H new ATOM 0 HB3 SER A 42 26.811 19.581 -2.277 1.00 65.54 H new ATOM 0 HG SER A 42 28.307 20.166 -0.604 1.00 2.11 H new ATOM 669 N LYS A 43 27.216 19.696 -6.029 1.00 34.33 N ATOM 670 CA LYS A 43 26.245 19.220 -7.008 1.00 24.24 C ATOM 671 C LYS A 43 26.914 18.325 -8.046 1.00 44.12 C ATOM 672 O LYS A 43 26.371 18.102 -9.127 1.00 64.35 O ATOM 673 CB LYS A 43 25.566 20.403 -7.700 1.00 43.52 C ATOM 674 CG LYS A 43 24.259 20.040 -8.383 1.00 12.43 C ATOM 675 CD LYS A 43 23.992 20.929 -9.586 1.00 1.53 C ATOM 676 CE LYS A 43 22.879 20.369 -10.457 1.00 75.00 C ATOM 677 NZ LYS A 43 23.326 19.177 -11.230 1.00 54.30 N ATOM 0 H LYS A 43 28.165 19.792 -6.389 1.00 34.33 H new ATOM 0 HA LYS A 43 25.491 18.635 -6.481 1.00 24.24 H new ATOM 0 HB2 LYS A 43 25.377 21.184 -6.964 1.00 43.52 H new ATOM 0 HB3 LYS A 43 26.249 20.821 -8.440 1.00 43.52 H new ATOM 0 HG2 LYS A 43 24.290 18.998 -8.700 1.00 12.43 H new ATOM 0 HG3 LYS A 43 23.438 20.132 -7.672 1.00 12.43 H new ATOM 0 HD2 LYS A 43 23.722 21.929 -9.248 1.00 1.53 H new ATOM 0 HD3 LYS A 43 24.903 21.027 -10.176 1.00 1.53 H new ATOM 0 HE2 LYS A 43 22.029 20.098 -9.831 1.00 75.00 H new ATOM 0 HE3 LYS A 43 22.534 21.140 -11.146 1.00 75.00 H new ATOM 0 HZ1 LYS A 43 22.617 18.948 -11.955 1.00 54.30 H new ATOM 0 HZ2 LYS A 43 24.237 19.382 -11.688 1.00 54.30 H new ATOM 0 HZ3 LYS A 43 23.437 18.368 -10.587 1.00 54.30 H new ATOM 691 N GLU A 44 28.095 17.815 -7.709 1.00 41.32 N ATOM 692 CA GLU A 44 28.837 16.944 -8.614 1.00 15.43 C ATOM 693 C GLU A 44 28.357 15.501 -8.494 1.00 22.34 C ATOM 694 O GLU A 44 28.164 14.815 -9.498 1.00 34.53 O ATOM 695 CB GLU A 44 30.336 17.022 -8.317 1.00 73.12 C ATOM 696 CG GLU A 44 30.884 18.439 -8.321 1.00 24.20 C ATOM 697 CD GLU A 44 30.759 19.109 -9.675 1.00 55.51 C ATOM 698 OE1 GLU A 44 29.723 19.764 -9.918 1.00 41.40 O ATOM 699 OE2 GLU A 44 31.694 18.980 -10.492 1.00 23.45 O ATOM 0 H GLU A 44 28.558 17.990 -6.817 1.00 41.32 H new ATOM 0 HA GLU A 44 28.658 17.284 -9.634 1.00 15.43 H new ATOM 0 HB2 GLU A 44 30.529 16.569 -7.344 1.00 73.12 H new ATOM 0 HB3 GLU A 44 30.876 16.431 -9.057 1.00 73.12 H new ATOM 0 HG2 GLU A 44 30.353 19.032 -7.576 1.00 24.20 H new ATOM 0 HG3 GLU A 44 31.933 18.420 -8.025 1.00 24.20 H new ATOM 706 N ILE A 45 28.169 15.047 -7.259 1.00 75.12 N ATOM 707 CA ILE A 45 27.712 13.686 -7.008 1.00 33.24 C ATOM 708 C ILE A 45 26.323 13.455 -7.594 1.00 30.12 C ATOM 709 O ILE A 45 25.879 12.316 -7.738 1.00 61.41 O ATOM 710 CB ILE A 45 27.679 13.372 -5.500 1.00 52.51 C ATOM 711 CG1 ILE A 45 26.822 14.403 -4.762 1.00 33.45 C ATOM 712 CG2 ILE A 45 29.091 13.346 -4.934 1.00 14.23 C ATOM 713 CD1 ILE A 45 25.346 14.072 -4.762 1.00 14.21 C ATOM 0 H ILE A 45 28.326 15.602 -6.417 1.00 75.12 H new ATOM 0 HA ILE A 45 28.424 13.020 -7.494 1.00 33.24 H new ATOM 0 HB ILE A 45 27.233 12.388 -5.358 1.00 52.51 H new ATOM 0 HG12 ILE A 45 27.169 14.481 -3.732 1.00 33.45 H new ATOM 0 HG13 ILE A 45 26.967 15.380 -5.222 1.00 33.45 H new ATOM 0 HG21 ILE A 45 29.052 13.123 -3.868 1.00 14.23 H new ATOM 0 HG22 ILE A 45 29.673 12.579 -5.444 1.00 14.23 H new ATOM 0 HG23 ILE A 45 29.561 14.318 -5.084 1.00 14.23 H new ATOM 0 HD11 ILE A 45 24.800 14.845 -4.222 1.00 14.21 H new ATOM 0 HD12 ILE A 45 24.984 14.023 -5.789 1.00 14.21 H new ATOM 0 HD13 ILE A 45 25.189 13.109 -4.275 1.00 14.21 H new ATOM 725 N LYS A 46 25.641 14.544 -7.932 1.00 61.11 N ATOM 726 CA LYS A 46 24.303 14.462 -8.506 1.00 43.12 C ATOM 727 C LYS A 46 24.332 13.745 -9.852 1.00 73.21 C ATOM 728 O LYS A 46 23.598 12.780 -10.067 1.00 3.44 O ATOM 729 CB LYS A 46 23.712 15.863 -8.675 1.00 50.45 C ATOM 730 CG LYS A 46 23.564 16.623 -7.369 1.00 1.14 C ATOM 731 CD LYS A 46 22.121 17.028 -7.119 1.00 32.41 C ATOM 732 CE LYS A 46 22.033 18.379 -6.426 1.00 75.30 C ATOM 733 NZ LYS A 46 21.033 18.372 -5.322 1.00 61.41 N ATOM 0 H LYS A 46 25.993 15.495 -7.818 1.00 61.11 H new ATOM 0 HA LYS A 46 23.676 13.890 -7.823 1.00 43.12 H new ATOM 0 HB2 LYS A 46 24.347 16.437 -9.350 1.00 50.45 H new ATOM 0 HB3 LYS A 46 22.735 15.781 -9.150 1.00 50.45 H new ATOM 0 HG2 LYS A 46 23.917 16.003 -6.545 1.00 1.14 H new ATOM 0 HG3 LYS A 46 24.194 17.512 -7.391 1.00 1.14 H new ATOM 0 HD2 LYS A 46 21.584 17.068 -8.067 1.00 32.41 H new ATOM 0 HD3 LYS A 46 21.631 16.271 -6.507 1.00 32.41 H new ATOM 0 HE2 LYS A 46 23.012 18.647 -6.028 1.00 75.30 H new ATOM 0 HE3 LYS A 46 21.764 19.144 -7.154 1.00 75.30 H new ATOM 0 HZ1 LYS A 46 20.325 19.115 -5.490 1.00 61.41 H new ATOM 0 HZ2 LYS A 46 20.561 17.446 -5.287 1.00 61.41 H new ATOM 0 HZ3 LYS A 46 21.514 18.550 -4.417 1.00 61.41 H new ATOM 747 N GLU A 47 25.184 14.222 -10.754 1.00 21.21 N ATOM 748 CA GLU A 47 25.307 13.624 -12.078 1.00 44.44 C ATOM 749 C GLU A 47 25.892 12.218 -11.988 1.00 64.25 C ATOM 750 O GLU A 47 25.433 11.297 -12.665 1.00 0.23 O ATOM 751 CB GLU A 47 26.186 14.498 -12.976 1.00 61.34 C ATOM 752 CG GLU A 47 25.828 14.409 -14.450 1.00 53.23 C ATOM 753 CD GLU A 47 25.574 15.769 -15.072 1.00 32.14 C ATOM 754 OE1 GLU A 47 26.364 16.177 -15.949 1.00 21.44 O ATOM 755 OE2 GLU A 47 24.586 16.425 -14.681 1.00 52.12 O ATOM 0 H GLU A 47 25.799 15.020 -10.592 1.00 21.21 H new ATOM 0 HA GLU A 47 24.310 13.556 -12.512 1.00 44.44 H new ATOM 0 HB2 GLU A 47 26.103 15.536 -12.653 1.00 61.34 H new ATOM 0 HB3 GLU A 47 27.228 14.206 -12.845 1.00 61.34 H new ATOM 0 HG2 GLU A 47 26.637 13.913 -14.987 1.00 53.23 H new ATOM 0 HG3 GLU A 47 24.940 13.788 -14.567 1.00 53.23 H new ATOM 762 N LYS A 48 26.910 12.059 -11.149 1.00 11.32 N ATOM 763 CA LYS A 48 27.559 10.766 -10.968 1.00 41.31 C ATOM 764 C LYS A 48 26.533 9.680 -10.665 1.00 35.31 C ATOM 765 O LYS A 48 26.580 8.590 -11.237 1.00 33.21 O ATOM 766 CB LYS A 48 28.587 10.842 -9.837 1.00 14.15 C ATOM 767 CG LYS A 48 29.647 11.908 -10.048 1.00 43.45 C ATOM 768 CD LYS A 48 30.978 11.500 -9.438 1.00 51.35 C ATOM 769 CE LYS A 48 31.768 12.710 -8.965 1.00 45.41 C ATOM 770 NZ LYS A 48 33.086 12.322 -8.389 1.00 74.22 N ATOM 0 H LYS A 48 27.304 12.811 -10.583 1.00 11.32 H new ATOM 0 HA LYS A 48 28.069 10.510 -11.897 1.00 41.31 H new ATOM 0 HB2 LYS A 48 28.068 11.038 -8.899 1.00 14.15 H new ATOM 0 HB3 LYS A 48 29.074 9.872 -9.735 1.00 14.15 H new ATOM 0 HG2 LYS A 48 29.775 12.089 -11.115 1.00 43.45 H new ATOM 0 HG3 LYS A 48 29.314 12.846 -9.604 1.00 43.45 H new ATOM 0 HD2 LYS A 48 30.804 10.827 -8.598 1.00 51.35 H new ATOM 0 HD3 LYS A 48 31.562 10.947 -10.174 1.00 51.35 H new ATOM 0 HE2 LYS A 48 31.924 13.392 -9.801 1.00 45.41 H new ATOM 0 HE3 LYS A 48 31.190 13.251 -8.216 1.00 45.41 H new ATOM 0 HZ1 LYS A 48 33.594 13.175 -8.078 1.00 74.22 H new ATOM 0 HZ2 LYS A 48 32.937 11.692 -7.575 1.00 74.22 H new ATOM 0 HZ3 LYS A 48 33.648 11.828 -9.111 1.00 74.22 H new ATOM 784 N LEU A 49 25.605 9.983 -9.764 1.00 1.43 N ATOM 785 CA LEU A 49 24.565 9.033 -9.386 1.00 22.33 C ATOM 786 C LEU A 49 23.472 8.970 -10.448 1.00 2.42 C ATOM 787 O LEU A 49 22.861 7.924 -10.665 1.00 64.32 O ATOM 788 CB LEU A 49 23.959 9.420 -8.036 1.00 31.13 C ATOM 789 CG LEU A 49 23.038 8.383 -7.391 1.00 42.12 C ATOM 790 CD1 LEU A 49 23.839 7.183 -6.911 1.00 64.12 C ATOM 791 CD2 LEU A 49 22.261 9.003 -6.239 1.00 72.03 C ATOM 0 H LEU A 49 25.552 10.880 -9.281 1.00 1.43 H new ATOM 0 HA LEU A 49 25.022 8.047 -9.303 1.00 22.33 H new ATOM 0 HB2 LEU A 49 24.773 9.635 -7.343 1.00 31.13 H new ATOM 0 HB3 LEU A 49 23.397 10.345 -8.164 1.00 31.13 H new ATOM 0 HG LEU A 49 22.325 8.041 -8.142 1.00 42.12 H new ATOM 0 HD11 LEU A 49 23.167 6.456 -6.455 1.00 64.12 H new ATOM 0 HD12 LEU A 49 24.350 6.724 -7.758 1.00 64.12 H new ATOM 0 HD13 LEU A 49 24.575 7.508 -6.176 1.00 64.12 H new ATOM 0 HD21 LEU A 49 21.611 8.251 -5.792 1.00 72.03 H new ATOM 0 HD22 LEU A 49 22.958 9.373 -5.487 1.00 72.03 H new ATOM 0 HD23 LEU A 49 21.656 9.830 -6.611 1.00 72.03 H new ATOM 803 N LYS A 50 23.232 10.098 -11.109 1.00 34.34 N ATOM 804 CA LYS A 50 22.215 10.172 -12.151 1.00 40.02 C ATOM 805 C LYS A 50 22.565 9.255 -13.319 1.00 32.34 C ATOM 806 O LYS A 50 21.692 8.602 -13.892 1.00 44.21 O ATOM 807 CB LYS A 50 22.068 11.612 -12.647 1.00 12.41 C ATOM 808 CG LYS A 50 20.729 11.895 -13.306 1.00 71.11 C ATOM 809 CD LYS A 50 20.513 13.384 -13.515 1.00 2.54 C ATOM 810 CE LYS A 50 19.558 13.959 -12.480 1.00 54.43 C ATOM 811 NZ LYS A 50 20.090 15.207 -11.866 1.00 51.35 N ATOM 0 H LYS A 50 23.728 10.973 -10.941 1.00 34.34 H new ATOM 0 HA LYS A 50 21.268 9.842 -11.724 1.00 40.02 H new ATOM 0 HB2 LYS A 50 22.200 12.292 -11.806 1.00 12.41 H new ATOM 0 HB3 LYS A 50 22.866 11.826 -13.358 1.00 12.41 H new ATOM 0 HG2 LYS A 50 20.679 11.381 -14.266 1.00 71.11 H new ATOM 0 HG3 LYS A 50 19.926 11.493 -12.688 1.00 71.11 H new ATOM 0 HD2 LYS A 50 21.470 13.903 -13.457 1.00 2.54 H new ATOM 0 HD3 LYS A 50 20.116 13.558 -14.515 1.00 2.54 H new ATOM 0 HE2 LYS A 50 18.596 14.167 -12.949 1.00 54.43 H new ATOM 0 HE3 LYS A 50 19.379 13.219 -11.700 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 19.410 15.567 -11.166 1.00 51.35 H new ATOM 0 HZ2 LYS A 50 20.995 15.004 -11.396 1.00 51.35 H new ATOM 0 HZ3 LYS A 50 20.237 15.923 -12.606 1.00 51.35 H new ATOM 825 N LYS A 51 23.847 9.208 -13.665 1.00 53.30 N ATOM 826 CA LYS A 51 24.313 8.369 -14.762 1.00 63.11 C ATOM 827 C LYS A 51 24.255 6.893 -14.381 1.00 52.10 C ATOM 828 O LYS A 51 23.994 6.034 -15.224 1.00 20.51 O ATOM 829 CB LYS A 51 25.744 8.750 -15.150 1.00 72.14 C ATOM 830 CG LYS A 51 25.862 10.143 -15.743 1.00 44.23 C ATOM 831 CD LYS A 51 27.304 10.484 -16.083 1.00 33.10 C ATOM 832 CE LYS A 51 27.509 10.604 -17.585 1.00 51.13 C ATOM 833 NZ LYS A 51 28.757 9.925 -18.031 1.00 1.13 N ATOM 0 H LYS A 51 24.582 9.742 -13.201 1.00 53.30 H new ATOM 0 HA LYS A 51 23.655 8.532 -15.616 1.00 63.11 H new ATOM 0 HB2 LYS A 51 26.381 8.685 -14.268 1.00 72.14 H new ATOM 0 HB3 LYS A 51 26.122 8.024 -15.870 1.00 72.14 H new ATOM 0 HG2 LYS A 51 25.250 10.210 -16.642 1.00 44.23 H new ATOM 0 HG3 LYS A 51 25.471 10.875 -15.036 1.00 44.23 H new ATOM 0 HD2 LYS A 51 27.581 11.422 -15.601 1.00 33.10 H new ATOM 0 HD3 LYS A 51 27.965 9.714 -15.685 1.00 33.10 H new ATOM 0 HE2 LYS A 51 26.654 10.170 -18.104 1.00 51.13 H new ATOM 0 HE3 LYS A 51 27.549 11.657 -17.863 1.00 51.13 H new ATOM 0 HZ1 LYS A 51 28.860 10.030 -19.061 1.00 1.13 H new ATOM 0 HZ2 LYS A 51 29.575 10.356 -17.555 1.00 1.13 H new ATOM 0 HZ3 LYS A 51 28.708 8.915 -17.789 1.00 1.13 H new ATOM 847 N LEU A 52 24.497 6.606 -13.107 1.00 24.11 N ATOM 848 CA LEU A 52 24.471 5.233 -12.614 1.00 14.25 C ATOM 849 C LEU A 52 23.140 4.563 -12.941 1.00 22.22 C ATOM 850 O LEU A 52 23.057 3.339 -13.035 1.00 64.31 O ATOM 851 CB LEU A 52 24.709 5.209 -11.103 1.00 21.32 C ATOM 852 CG LEU A 52 24.580 3.844 -10.425 1.00 10.21 C ATOM 853 CD1 LEU A 52 25.583 3.716 -9.289 1.00 34.43 C ATOM 854 CD2 LEU A 52 23.162 3.635 -9.914 1.00 20.32 C ATOM 0 H LEU A 52 24.713 7.305 -12.397 1.00 24.11 H new ATOM 0 HA LEU A 52 25.268 4.679 -13.110 1.00 14.25 H new ATOM 0 HB2 LEU A 52 25.708 5.597 -10.907 1.00 21.32 H new ATOM 0 HB3 LEU A 52 24.003 5.894 -10.633 1.00 21.32 H new ATOM 0 HG LEU A 52 24.797 3.071 -11.162 1.00 10.21 H new ATOM 0 HD11 LEU A 52 25.477 2.739 -8.818 1.00 34.43 H new ATOM 0 HD12 LEU A 52 26.594 3.821 -9.683 1.00 34.43 H new ATOM 0 HD13 LEU A 52 25.398 4.496 -8.551 1.00 34.43 H new ATOM 0 HD21 LEU A 52 23.088 2.659 -9.435 1.00 20.32 H new ATOM 0 HD22 LEU A 52 22.917 4.414 -9.192 1.00 20.32 H new ATOM 0 HD23 LEU A 52 22.463 3.683 -10.749 1.00 20.32 H new ATOM 866 N ALA A 53 22.102 5.374 -13.115 1.00 32.22 N ATOM 867 CA ALA A 53 20.776 4.860 -13.436 1.00 23.40 C ATOM 868 C ALA A 53 20.815 3.984 -14.684 1.00 34.02 C ATOM 869 O ALA A 53 19.947 3.134 -14.883 1.00 4.01 O ATOM 870 CB ALA A 53 19.796 6.008 -13.625 1.00 21.15 C ATOM 0 H ALA A 53 22.154 6.390 -13.039 1.00 32.22 H new ATOM 0 HA ALA A 53 20.440 4.244 -12.602 1.00 23.40 H new ATOM 0 HB1 ALA A 53 18.810 5.609 -13.864 1.00 21.15 H new ATOM 0 HB2 ALA A 53 19.738 6.592 -12.706 1.00 21.15 H new ATOM 0 HB3 ALA A 53 20.137 6.647 -14.440 1.00 21.15 H new ATOM 876 N GLU A 54 21.825 4.198 -15.521 1.00 12.41 N ATOM 877 CA GLU A 54 21.974 3.429 -16.750 1.00 72.44 C ATOM 878 C GLU A 54 22.680 2.103 -16.480 1.00 40.12 C ATOM 879 O GLU A 54 22.324 1.072 -17.049 1.00 32.31 O ATOM 880 CB GLU A 54 22.756 4.233 -17.790 1.00 42.25 C ATOM 881 CG GLU A 54 22.712 3.631 -19.185 1.00 24.23 C ATOM 882 CD GLU A 54 22.009 4.527 -20.186 1.00 22.14 C ATOM 883 OE1 GLU A 54 22.643 4.898 -21.196 1.00 55.20 O ATOM 884 OE2 GLU A 54 20.827 4.857 -19.959 1.00 15.12 O ATOM 0 H GLU A 54 22.552 4.897 -15.370 1.00 12.41 H new ATOM 0 HA GLU A 54 20.978 3.218 -17.139 1.00 72.44 H new ATOM 0 HB2 GLU A 54 22.357 5.247 -17.828 1.00 42.25 H new ATOM 0 HB3 GLU A 54 23.795 4.311 -17.470 1.00 42.25 H new ATOM 0 HG2 GLU A 54 23.729 3.440 -19.526 1.00 24.23 H new ATOM 0 HG3 GLU A 54 22.203 2.668 -19.145 1.00 24.23 H new ATOM 891 N GLU A 55 23.683 2.141 -15.609 1.00 22.33 N ATOM 892 CA GLU A 55 24.440 0.943 -15.264 1.00 63.15 C ATOM 893 C GLU A 55 23.535 -0.110 -14.633 1.00 34.33 C ATOM 894 O GLU A 55 23.822 -1.306 -14.688 1.00 60.20 O ATOM 895 CB GLU A 55 25.581 1.292 -14.306 1.00 60.41 C ATOM 896 CG GLU A 55 25.219 1.118 -12.841 1.00 2.24 C ATOM 897 CD GLU A 55 25.437 -0.300 -12.350 1.00 13.02 C ATOM 898 OE1 GLU A 55 25.917 -1.135 -13.145 1.00 3.14 O ATOM 899 OE2 GLU A 55 25.126 -0.575 -11.172 1.00 44.01 O ATOM 0 H GLU A 55 23.990 2.987 -15.130 1.00 22.33 H new ATOM 0 HA GLU A 55 24.859 0.532 -16.183 1.00 63.15 H new ATOM 0 HB2 GLU A 55 26.442 0.665 -14.536 1.00 60.41 H new ATOM 0 HB3 GLU A 55 25.885 2.325 -14.477 1.00 60.41 H new ATOM 0 HG2 GLU A 55 25.817 1.803 -12.239 1.00 2.24 H new ATOM 0 HG3 GLU A 55 24.175 1.393 -12.694 1.00 2.24 H new ATOM 906 N PHE A 56 22.439 0.343 -14.032 1.00 5.11 N ATOM 907 CA PHE A 56 21.492 -0.559 -13.388 1.00 13.12 C ATOM 908 C PHE A 56 20.170 0.151 -13.107 1.00 63.34 C ATOM 909 O PHE A 56 19.877 0.548 -11.980 1.00 1.14 O ATOM 910 CB PHE A 56 22.078 -1.103 -12.084 1.00 4.35 C ATOM 911 CG PHE A 56 21.414 -2.362 -11.606 1.00 73.35 C ATOM 912 CD1 PHE A 56 21.227 -3.432 -12.467 1.00 44.23 C ATOM 913 CD2 PHE A 56 20.975 -2.476 -10.297 1.00 73.52 C ATOM 914 CE1 PHE A 56 20.616 -4.593 -12.031 1.00 43.55 C ATOM 915 CE2 PHE A 56 20.363 -3.635 -9.856 1.00 4.33 C ATOM 916 CZ PHE A 56 20.183 -4.694 -10.724 1.00 51.51 C ATOM 0 H PHE A 56 22.185 1.329 -13.978 1.00 5.11 H new ATOM 0 HA PHE A 56 21.302 -1.390 -14.067 1.00 13.12 H new ATOM 0 HB2 PHE A 56 23.142 -1.294 -12.225 1.00 4.35 H new ATOM 0 HB3 PHE A 56 21.991 -0.340 -11.310 1.00 4.35 H new ATOM 0 HD1 PHE A 56 21.563 -3.358 -13.491 1.00 44.23 H new ATOM 0 HD2 PHE A 56 21.112 -1.651 -9.614 1.00 73.52 H new ATOM 0 HE1 PHE A 56 20.478 -5.420 -12.712 1.00 43.55 H new ATOM 0 HE2 PHE A 56 20.026 -3.712 -8.833 1.00 4.33 H new ATOM 0 HZ PHE A 56 19.704 -5.599 -10.381 1.00 51.51 H new ATOM 926 N PRO A 57 19.353 0.315 -14.158 1.00 33.50 N ATOM 927 CA PRO A 57 18.049 0.976 -14.051 1.00 1.41 C ATOM 928 C PRO A 57 17.038 0.144 -13.270 1.00 25.52 C ATOM 929 O PRO A 57 15.945 0.613 -12.955 1.00 33.54 O ATOM 930 CB PRO A 57 17.606 1.126 -15.509 1.00 23.44 C ATOM 931 CG PRO A 57 18.320 0.038 -16.234 1.00 73.25 C ATOM 932 CD PRO A 57 19.638 -0.134 -15.531 1.00 73.22 C ATOM 0 HA PRO A 57 18.115 1.921 -13.512 1.00 1.41 H new ATOM 0 HB2 PRO A 57 16.525 1.024 -15.607 1.00 23.44 H new ATOM 0 HB3 PRO A 57 17.871 2.106 -15.905 1.00 23.44 H new ATOM 0 HG2 PRO A 57 17.744 -0.887 -16.214 1.00 73.25 H new ATOM 0 HG3 PRO A 57 18.468 0.299 -17.282 1.00 73.25 H new ATOM 0 HD2 PRO A 57 19.973 -1.171 -15.553 1.00 73.22 H new ATOM 0 HD3 PRO A 57 20.422 0.464 -15.995 1.00 73.22 H new ATOM 940 N ASP A 58 17.412 -1.093 -12.960 1.00 74.32 N ATOM 941 CA ASP A 58 16.538 -1.991 -12.214 1.00 72.31 C ATOM 942 C ASP A 58 16.113 -1.362 -10.891 1.00 5.40 C ATOM 943 O ASP A 58 15.065 -1.696 -10.340 1.00 73.51 O ATOM 944 CB ASP A 58 17.242 -3.324 -11.956 1.00 74.51 C ATOM 945 CG ASP A 58 16.909 -3.901 -10.594 1.00 2.43 C ATOM 946 OD1 ASP A 58 17.485 -3.426 -9.592 1.00 13.01 O ATOM 947 OD2 ASP A 58 16.073 -4.825 -10.529 1.00 72.42 O ATOM 0 H ASP A 58 18.314 -1.496 -13.214 1.00 74.32 H new ATOM 0 HA ASP A 58 15.645 -2.170 -12.813 1.00 72.31 H new ATOM 0 HB2 ASP A 58 16.957 -4.038 -12.729 1.00 74.51 H new ATOM 0 HB3 ASP A 58 18.320 -3.183 -12.034 1.00 74.51 H new ATOM 952 N VAL A 59 16.936 -0.448 -10.385 1.00 62.13 N ATOM 953 CA VAL A 59 16.646 0.229 -9.127 1.00 25.31 C ATOM 954 C VAL A 59 16.229 1.676 -9.364 1.00 73.54 C ATOM 955 O VAL A 59 16.508 2.248 -10.418 1.00 1.11 O ATOM 956 CB VAL A 59 17.864 0.206 -8.184 1.00 22.21 C ATOM 957 CG1 VAL A 59 18.926 1.187 -8.658 1.00 74.43 C ATOM 958 CG2 VAL A 59 17.439 0.517 -6.757 1.00 55.00 C ATOM 0 H VAL A 59 17.809 -0.160 -10.827 1.00 62.13 H new ATOM 0 HA VAL A 59 15.823 -0.311 -8.660 1.00 25.31 H new ATOM 0 HB VAL A 59 18.295 -0.795 -8.201 1.00 22.21 H new ATOM 0 HG11 VAL A 59 19.778 1.156 -7.979 1.00 74.43 H new ATOM 0 HG12 VAL A 59 19.251 0.914 -9.662 1.00 74.43 H new ATOM 0 HG13 VAL A 59 18.510 2.194 -8.673 1.00 74.43 H new ATOM 0 HG21 VAL A 59 18.312 0.496 -6.105 1.00 55.00 H new ATOM 0 HG22 VAL A 59 16.982 1.506 -6.721 1.00 55.00 H new ATOM 0 HG23 VAL A 59 16.718 -0.228 -6.422 1.00 55.00 H new ATOM 968 N ASP A 60 15.558 2.261 -8.378 1.00 45.34 N ATOM 969 CA ASP A 60 15.103 3.643 -8.479 1.00 11.01 C ATOM 970 C ASP A 60 15.915 4.551 -7.561 1.00 11.13 C ATOM 971 O ASP A 60 15.683 4.596 -6.352 1.00 73.42 O ATOM 972 CB ASP A 60 13.617 3.739 -8.128 1.00 42.42 C ATOM 973 CG ASP A 60 13.205 2.732 -7.073 1.00 71.22 C ATOM 974 OD1 ASP A 60 13.103 1.532 -7.406 1.00 2.15 O ATOM 975 OD2 ASP A 60 12.985 3.143 -5.915 1.00 33.21 O ATOM 0 H ASP A 60 15.317 1.800 -7.500 1.00 45.34 H new ATOM 0 HA ASP A 60 15.248 3.974 -9.507 1.00 11.01 H new ATOM 0 HB2 ASP A 60 13.395 4.745 -7.772 1.00 42.42 H new ATOM 0 HB3 ASP A 60 13.023 3.581 -9.028 1.00 42.42 H new ATOM 980 N ILE A 61 16.868 5.272 -8.142 1.00 14.11 N ATOM 981 CA ILE A 61 17.714 6.179 -7.376 1.00 33.33 C ATOM 982 C ILE A 61 17.229 7.619 -7.499 1.00 50.22 C ATOM 983 O ILE A 61 17.477 8.285 -8.505 1.00 21.30 O ATOM 984 CB ILE A 61 19.182 6.102 -7.835 1.00 32.33 C ATOM 985 CG1 ILE A 61 19.529 4.676 -8.270 1.00 12.43 C ATOM 986 CG2 ILE A 61 20.110 6.562 -6.721 1.00 12.14 C ATOM 987 CD1 ILE A 61 19.351 4.437 -9.753 1.00 11.03 C ATOM 0 H ILE A 61 17.074 5.246 -9.141 1.00 14.11 H new ATOM 0 HA ILE A 61 17.651 5.865 -6.334 1.00 33.33 H new ATOM 0 HB ILE A 61 19.315 6.765 -8.690 1.00 32.33 H new ATOM 0 HG12 ILE A 61 20.563 4.463 -7.997 1.00 12.43 H new ATOM 0 HG13 ILE A 61 18.903 3.974 -7.719 1.00 12.43 H new ATOM 0 HG21 ILE A 61 21.144 6.502 -7.061 1.00 12.14 H new ATOM 0 HG22 ILE A 61 19.875 7.592 -6.454 1.00 12.14 H new ATOM 0 HG23 ILE A 61 19.977 5.922 -5.849 1.00 12.14 H new ATOM 0 HD11 ILE A 61 19.615 3.406 -9.990 1.00 11.03 H new ATOM 0 HD12 ILE A 61 18.312 4.618 -10.029 1.00 11.03 H new ATOM 0 HD13 ILE A 61 19.998 5.114 -10.311 1.00 11.03 H new ATOM 999 N TYR A 62 16.538 8.095 -6.469 1.00 43.43 N ATOM 1000 CA TYR A 62 16.018 9.457 -6.462 1.00 50.42 C ATOM 1001 C TYR A 62 16.742 10.312 -5.426 1.00 34.43 C ATOM 1002 O TYR A 62 17.485 9.797 -4.589 1.00 52.10 O ATOM 1003 CB TYR A 62 14.516 9.450 -6.175 1.00 13.44 C ATOM 1004 CG TYR A 62 14.146 8.719 -4.904 1.00 11.33 C ATOM 1005 CD1 TYR A 62 14.495 9.229 -3.659 1.00 43.22 C ATOM 1006 CD2 TYR A 62 13.448 7.519 -4.947 1.00 63.43 C ATOM 1007 CE1 TYR A 62 14.160 8.565 -2.495 1.00 62.53 C ATOM 1008 CE2 TYR A 62 13.108 6.848 -3.789 1.00 32.14 C ATOM 1009 CZ TYR A 62 13.466 7.375 -2.565 1.00 61.33 C ATOM 1010 OH TYR A 62 13.130 6.709 -1.409 1.00 21.22 O ATOM 0 H TYR A 62 16.325 7.558 -5.628 1.00 43.43 H new ATOM 0 HA TYR A 62 16.191 9.890 -7.447 1.00 50.42 H new ATOM 0 HB2 TYR A 62 14.162 10.479 -6.109 1.00 13.44 H new ATOM 0 HB3 TYR A 62 13.996 8.988 -7.014 1.00 13.44 H new ATOM 0 HD1 TYR A 62 15.038 10.161 -3.601 1.00 43.22 H new ATOM 0 HD2 TYR A 62 13.166 7.103 -5.903 1.00 63.43 H new ATOM 0 HE1 TYR A 62 14.440 8.975 -1.536 1.00 62.53 H new ATOM 0 HE2 TYR A 62 12.565 5.916 -3.841 1.00 32.14 H new ATOM 0 HH TYR A 62 12.451 6.031 -1.608 1.00 21.22 H new ATOM 1020 N LEU A 63 16.518 11.620 -5.487 1.00 65.31 N ATOM 1021 CA LEU A 63 17.148 12.548 -4.554 1.00 32.20 C ATOM 1022 C LEU A 63 16.149 13.028 -3.506 1.00 73.40 C ATOM 1023 O LEU A 63 14.948 13.101 -3.766 1.00 14.31 O ATOM 1024 CB LEU A 63 17.728 13.746 -5.308 1.00 74.44 C ATOM 1025 CG LEU A 63 18.916 13.451 -6.224 1.00 61.31 C ATOM 1026 CD1 LEU A 63 19.120 14.585 -7.216 1.00 41.21 C ATOM 1027 CD2 LEU A 63 20.178 13.224 -5.404 1.00 73.51 C ATOM 0 H LEU A 63 15.905 12.062 -6.172 1.00 65.31 H new ATOM 0 HA LEU A 63 17.956 12.021 -4.046 1.00 32.20 H new ATOM 0 HB2 LEU A 63 16.934 14.191 -5.908 1.00 74.44 H new ATOM 0 HB3 LEU A 63 18.035 14.495 -4.578 1.00 74.44 H new ATOM 0 HG LEU A 63 18.701 12.541 -6.784 1.00 61.31 H new ATOM 0 HD11 LEU A 63 19.970 14.357 -7.859 1.00 41.21 H new ATOM 0 HD12 LEU A 63 18.224 14.701 -7.826 1.00 41.21 H new ATOM 0 HD13 LEU A 63 19.313 15.511 -6.675 1.00 41.21 H new ATOM 0 HD21 LEU A 63 21.013 13.015 -6.072 1.00 73.51 H new ATOM 0 HD22 LEU A 63 20.396 14.117 -4.818 1.00 73.51 H new ATOM 0 HD23 LEU A 63 20.029 12.377 -4.734 1.00 73.51 H new ATOM 1039 N VAL A 64 16.653 13.355 -2.321 1.00 5.03 N ATOM 1040 CA VAL A 64 15.806 13.831 -1.234 1.00 41.30 C ATOM 1041 C VAL A 64 16.426 15.041 -0.543 1.00 70.24 C ATOM 1042 O VAL A 64 17.638 15.094 -0.331 1.00 55.13 O ATOM 1043 CB VAL A 64 15.560 12.727 -0.189 1.00 3.13 C ATOM 1044 CG1 VAL A 64 14.514 13.172 0.822 1.00 25.13 C ATOM 1045 CG2 VAL A 64 15.139 11.434 -0.870 1.00 23.43 C ATOM 0 H VAL A 64 17.645 13.299 -2.089 1.00 5.03 H new ATOM 0 HA VAL A 64 14.853 14.119 -1.678 1.00 41.30 H new ATOM 0 HB VAL A 64 16.492 12.543 0.346 1.00 3.13 H new ATOM 0 HG11 VAL A 64 14.353 12.379 1.552 1.00 25.13 H new ATOM 0 HG12 VAL A 64 14.860 14.071 1.332 1.00 25.13 H new ATOM 0 HG13 VAL A 64 13.578 13.386 0.307 1.00 25.13 H new ATOM 0 HG21 VAL A 64 14.969 10.665 -0.117 1.00 23.43 H new ATOM 0 HG22 VAL A 64 14.220 11.601 -1.432 1.00 23.43 H new ATOM 0 HG23 VAL A 64 15.926 11.108 -1.550 1.00 23.43 H new ATOM 1055 N ASP A 65 15.587 16.010 -0.194 1.00 62.04 N ATOM 1056 CA ASP A 65 16.052 17.220 0.474 1.00 22.45 C ATOM 1057 C ASP A 65 15.480 17.315 1.885 1.00 33.32 C ATOM 1058 O ASP A 65 14.263 17.326 2.074 1.00 12.12 O ATOM 1059 CB ASP A 65 15.660 18.458 -0.333 1.00 75.42 C ATOM 1060 CG ASP A 65 14.393 18.246 -1.139 1.00 32.43 C ATOM 1061 OD1 ASP A 65 14.500 17.943 -2.346 1.00 24.13 O ATOM 1062 OD2 ASP A 65 13.294 18.382 -0.562 1.00 32.51 O ATOM 0 H ASP A 65 14.581 15.981 -0.363 1.00 62.04 H new ATOM 0 HA ASP A 65 17.139 17.172 0.544 1.00 22.45 H new ATOM 0 HB2 ASP A 65 15.520 19.300 0.344 1.00 75.42 H new ATOM 0 HB3 ASP A 65 16.475 18.723 -1.006 1.00 75.42 H new ATOM 1067 N THR A 66 16.365 17.382 2.875 1.00 62.13 N ATOM 1068 CA THR A 66 15.949 17.474 4.268 1.00 33.42 C ATOM 1069 C THR A 66 14.950 18.608 4.470 1.00 25.12 C ATOM 1070 O THR A 66 14.138 18.575 5.394 1.00 12.22 O ATOM 1071 CB THR A 66 17.154 17.694 5.202 1.00 61.54 C ATOM 1072 OG1 THR A 66 18.069 18.622 4.609 1.00 24.12 O ATOM 1073 CG2 THR A 66 17.868 16.380 5.483 1.00 75.32 C ATOM 0 H THR A 66 17.376 17.374 2.737 1.00 62.13 H new ATOM 0 HA THR A 66 15.474 16.526 4.518 1.00 33.42 H new ATOM 0 HB THR A 66 16.786 18.098 6.145 1.00 61.54 H new ATOM 0 HG1 THR A 66 18.929 18.179 4.453 1.00 24.12 H new ATOM 0 HG21 THR A 66 18.715 16.561 6.145 1.00 75.32 H new ATOM 0 HG22 THR A 66 17.177 15.685 5.960 1.00 75.32 H new ATOM 0 HG23 THR A 66 18.224 15.952 4.546 1.00 75.32 H new ATOM 1081 N SER A 67 15.017 19.610 3.600 1.00 53.32 N ATOM 1082 CA SER A 67 14.120 20.757 3.685 1.00 51.01 C ATOM 1083 C SER A 67 12.667 20.304 3.785 1.00 75.11 C ATOM 1084 O SER A 67 11.832 20.982 4.385 1.00 54.04 O ATOM 1085 CB SER A 67 14.301 21.664 2.466 1.00 14.12 C ATOM 1086 OG SER A 67 14.221 23.031 2.832 1.00 65.04 O ATOM 0 H SER A 67 15.683 19.651 2.828 1.00 53.32 H new ATOM 0 HA SER A 67 14.370 21.317 4.586 1.00 51.01 H new ATOM 0 HB2 SER A 67 15.266 21.465 2.000 1.00 14.12 H new ATOM 0 HB3 SER A 67 13.536 21.438 1.723 1.00 14.12 H new ATOM 0 HG SER A 67 14.341 23.590 2.036 1.00 65.04 H new ATOM 1092 N THR A 68 12.370 19.151 3.192 1.00 5.23 N ATOM 1093 CA THR A 68 11.019 18.606 3.212 1.00 11.55 C ATOM 1094 C THR A 68 10.869 17.548 4.299 1.00 13.23 C ATOM 1095 O THR A 68 9.782 17.351 4.840 1.00 33.15 O ATOM 1096 CB THR A 68 10.642 17.987 1.853 1.00 4.13 C ATOM 1097 OG1 THR A 68 11.741 17.225 1.341 1.00 44.52 O ATOM 1098 CG2 THR A 68 10.258 19.068 0.854 1.00 20.20 C ATOM 0 H THR A 68 13.048 18.577 2.692 1.00 5.23 H new ATOM 0 HA THR A 68 10.346 19.437 3.423 1.00 11.55 H new ATOM 0 HB THR A 68 9.784 17.332 2.002 1.00 4.13 H new ATOM 0 HG1 THR A 68 12.129 17.688 0.569 1.00 44.52 H new ATOM 0 HG21 THR A 68 9.996 18.607 -0.098 1.00 20.20 H new ATOM 0 HG22 THR A 68 9.403 19.627 1.234 1.00 20.20 H new ATOM 0 HG23 THR A 68 11.100 19.745 0.709 1.00 20.20 H new ATOM 1106 N ASN A 69 11.968 16.870 4.615 1.00 54.34 N ATOM 1107 CA ASN A 69 11.957 15.831 5.638 1.00 5.41 C ATOM 1108 C ASN A 69 13.062 16.068 6.664 1.00 71.41 C ATOM 1109 O ASN A 69 14.015 15.296 6.776 1.00 52.13 O ATOM 1110 CB ASN A 69 12.128 14.453 4.997 1.00 60.13 C ATOM 1111 CG ASN A 69 13.433 14.327 4.235 1.00 25.13 C ATOM 1112 OD1 ASN A 69 13.743 15.148 3.372 1.00 3.43 O ATOM 1113 ND2 ASN A 69 14.206 13.294 4.552 1.00 11.33 N ATOM 0 H ASN A 69 12.877 17.022 4.177 1.00 54.34 H new ATOM 0 HA ASN A 69 10.995 15.869 6.150 1.00 5.41 H new ATOM 0 HB2 ASN A 69 12.088 13.687 5.772 1.00 60.13 H new ATOM 0 HB3 ASN A 69 11.295 14.265 4.319 1.00 60.13 H new ATOM 0 HD21 ASN A 69 15.096 13.157 4.073 1.00 11.33 H new ATOM 0 HD22 ASN A 69 13.909 12.638 5.274 1.00 11.33 H new ATOM 1120 N PRO A 70 12.932 17.159 7.432 1.00 2.51 N ATOM 1121 CA PRO A 70 13.909 17.522 8.463 1.00 11.33 C ATOM 1122 C PRO A 70 13.882 16.565 9.650 1.00 63.44 C ATOM 1123 O PRO A 70 14.929 16.153 10.149 1.00 34.41 O ATOM 1124 CB PRO A 70 13.465 18.922 8.896 1.00 74.22 C ATOM 1125 CG PRO A 70 12.009 18.971 8.581 1.00 3.42 C ATOM 1126 CD PRO A 70 11.822 18.124 7.354 1.00 71.54 C ATOM 0 HA PRO A 70 14.931 17.481 8.087 1.00 11.33 H new ATOM 0 HB2 PRO A 70 13.646 19.084 9.959 1.00 74.22 H new ATOM 0 HB3 PRO A 70 14.013 19.695 8.358 1.00 74.22 H new ATOM 0 HG2 PRO A 70 11.417 18.589 9.413 1.00 3.42 H new ATOM 0 HG3 PRO A 70 11.683 19.995 8.401 1.00 3.42 H new ATOM 0 HD2 PRO A 70 10.854 17.623 7.355 1.00 71.54 H new ATOM 0 HD3 PRO A 70 11.871 18.720 6.443 1.00 71.54 H new ATOM 1134 N GLU A 71 12.680 16.214 10.095 1.00 54.42 N ATOM 1135 CA GLU A 71 12.519 15.305 11.223 1.00 14.02 C ATOM 1136 C GLU A 71 13.183 13.961 10.938 1.00 54.01 C ATOM 1137 O GLU A 71 13.576 13.244 11.857 1.00 22.30 O ATOM 1138 CB GLU A 71 11.034 15.098 11.532 1.00 64.41 C ATOM 1139 CG GLU A 71 10.545 15.895 12.729 1.00 35.43 C ATOM 1140 CD GLU A 71 9.034 16.024 12.766 1.00 41.15 C ATOM 1141 OE1 GLU A 71 8.347 15.044 12.409 1.00 53.45 O ATOM 1142 OE2 GLU A 71 8.540 17.104 13.150 1.00 13.22 O ATOM 0 H GLU A 71 11.804 16.545 9.692 1.00 54.42 H new ATOM 0 HA GLU A 71 13.004 15.753 12.090 1.00 14.02 H new ATOM 0 HB2 GLU A 71 10.447 15.376 10.657 1.00 64.41 H new ATOM 0 HB3 GLU A 71 10.853 14.038 11.713 1.00 64.41 H new ATOM 0 HG2 GLU A 71 10.887 15.414 13.645 1.00 35.43 H new ATOM 0 HG3 GLU A 71 10.990 16.890 12.705 1.00 35.43 H new ATOM 1149 N ALA A 72 13.303 13.627 9.657 1.00 13.11 N ATOM 1150 CA ALA A 72 13.920 12.371 9.250 1.00 73.02 C ATOM 1151 C ALA A 72 15.387 12.320 9.664 1.00 55.34 C ATOM 1152 O ALA A 72 15.875 11.290 10.129 1.00 14.53 O ATOM 1153 CB ALA A 72 13.787 12.181 7.746 1.00 33.20 C ATOM 0 H ALA A 72 12.981 14.209 8.884 1.00 13.11 H new ATOM 0 HA ALA A 72 13.399 11.558 9.756 1.00 73.02 H new ATOM 0 HB1 ALA A 72 14.252 11.239 7.456 1.00 33.20 H new ATOM 0 HB2 ALA A 72 12.732 12.164 7.473 1.00 33.20 H new ATOM 0 HB3 ALA A 72 14.282 13.004 7.230 1.00 33.20 H new ATOM 1159 N ARG A 73 16.084 13.438 9.490 1.00 65.21 N ATOM 1160 CA ARG A 73 17.496 13.520 9.844 1.00 65.52 C ATOM 1161 C ARG A 73 17.729 13.028 11.270 1.00 51.44 C ATOM 1162 O ARG A 73 18.410 12.027 11.488 1.00 73.15 O ATOM 1163 CB ARG A 73 17.998 14.958 9.700 1.00 33.32 C ATOM 1164 CG ARG A 73 18.767 15.209 8.414 1.00 62.02 C ATOM 1165 CD ARG A 73 20.268 15.229 8.657 1.00 1.23 C ATOM 1166 NE ARG A 73 20.870 16.500 8.262 1.00 73.11 N ATOM 1167 CZ ARG A 73 20.855 17.588 9.023 1.00 11.41 C ATOM 1168 NH1 ARG A 73 20.273 17.561 10.214 1.00 75.31 N ATOM 1169 NH2 ARG A 73 21.424 18.708 8.594 1.00 71.52 N ATOM 0 H ARG A 73 15.694 14.299 9.106 1.00 65.21 H new ATOM 0 HA ARG A 73 18.053 12.878 9.161 1.00 65.52 H new ATOM 0 HB2 ARG A 73 17.146 15.637 9.742 1.00 33.32 H new ATOM 0 HB3 ARG A 73 18.639 15.197 10.549 1.00 33.32 H new ATOM 0 HG2 ARG A 73 18.525 14.434 7.687 1.00 62.02 H new ATOM 0 HG3 ARG A 73 18.455 16.160 7.982 1.00 62.02 H new ATOM 0 HD2 ARG A 73 20.467 15.047 9.713 1.00 1.23 H new ATOM 0 HD3 ARG A 73 20.736 14.418 8.100 1.00 1.23 H new ATOM 0 HE ARG A 73 21.327 16.555 7.352 1.00 73.11 H new ATOM 0 HH11 ARG A 73 19.835 16.703 10.548 1.00 75.31 H new ATOM 0 HH12 ARG A 73 20.263 18.399 10.796 1.00 75.31 H new ATOM 0 HH21 ARG A 73 21.873 18.734 7.679 1.00 71.52 H new ATOM 0 HH22 ARG A 73 21.412 19.543 9.180 1.00 71.52 H new ATOM 1183 N GLU A 74 17.159 13.741 12.236 1.00 12.41 N ATOM 1184 CA GLU A 74 17.306 13.378 13.641 1.00 53.14 C ATOM 1185 C GLU A 74 16.749 11.981 13.902 1.00 3.54 C ATOM 1186 O GLU A 74 17.197 11.284 14.813 1.00 12.40 O ATOM 1187 CB GLU A 74 16.593 14.398 14.531 1.00 4.14 C ATOM 1188 CG GLU A 74 17.284 15.751 14.580 1.00 75.12 C ATOM 1189 CD GLU A 74 18.357 15.820 15.649 1.00 53.42 C ATOM 1190 OE1 GLU A 74 19.450 15.258 15.429 1.00 73.43 O ATOM 1191 OE2 GLU A 74 18.104 16.437 16.705 1.00 71.31 O ATOM 0 H GLU A 74 16.592 14.573 12.072 1.00 12.41 H new ATOM 0 HA GLU A 74 18.369 13.378 13.881 1.00 53.14 H new ATOM 0 HB2 GLU A 74 15.573 14.533 14.170 1.00 4.14 H new ATOM 0 HB3 GLU A 74 16.523 13.999 15.543 1.00 4.14 H new ATOM 0 HG2 GLU A 74 17.730 15.962 13.608 1.00 75.12 H new ATOM 0 HG3 GLU A 74 16.542 16.527 14.765 1.00 75.12 H new ATOM 1198 N TRP A 75 15.771 11.581 13.098 1.00 22.24 N ATOM 1199 CA TRP A 75 15.153 10.268 13.243 1.00 33.20 C ATOM 1200 C TRP A 75 16.209 9.169 13.275 1.00 21.01 C ATOM 1201 O TRP A 75 16.038 8.150 13.945 1.00 61.13 O ATOM 1202 CB TRP A 75 14.171 10.015 12.098 1.00 53.01 C ATOM 1203 CG TRP A 75 13.052 9.089 12.468 1.00 22.32 C ATOM 1204 CD1 TRP A 75 13.166 7.803 12.914 1.00 24.11 C ATOM 1205 CD2 TRP A 75 11.650 9.377 12.422 1.00 24.44 C ATOM 1206 NE1 TRP A 75 11.920 7.274 13.148 1.00 10.13 N ATOM 1207 CE2 TRP A 75 10.973 8.220 12.855 1.00 22.33 C ATOM 1208 CE3 TRP A 75 10.901 10.499 12.060 1.00 5.31 C ATOM 1209 CZ2 TRP A 75 9.585 8.156 12.933 1.00 34.33 C ATOM 1210 CZ3 TRP A 75 9.523 10.434 12.138 1.00 44.12 C ATOM 1211 CH2 TRP A 75 8.876 9.270 12.572 1.00 24.43 C ATOM 0 H TRP A 75 15.389 12.146 12.340 1.00 22.24 H new ATOM 0 HA TRP A 75 14.611 10.252 14.188 1.00 33.20 H new ATOM 0 HB2 TRP A 75 13.752 10.967 11.771 1.00 53.01 H new ATOM 0 HB3 TRP A 75 14.713 9.597 11.250 1.00 53.01 H new ATOM 0 HD1 TRP A 75 14.099 7.279 13.061 1.00 24.11 H new ATOM 0 HE1 TRP A 75 11.731 6.330 13.485 1.00 10.13 H new ATOM 0 HE3 TRP A 75 11.390 11.402 11.725 1.00 5.31 H new ATOM 0 HZ2 TRP A 75 9.085 7.259 13.267 1.00 34.33 H new ATOM 0 HZ3 TRP A 75 8.935 11.296 11.859 1.00 44.12 H new ATOM 0 HH2 TRP A 75 7.797 9.251 12.623 1.00 24.43 H new ATOM 1222 N TYR A 76 17.300 9.382 12.549 1.00 45.25 N ATOM 1223 CA TYR A 76 18.384 8.408 12.493 1.00 72.14 C ATOM 1224 C TYR A 76 19.723 9.064 12.814 1.00 23.33 C ATOM 1225 O TYR A 76 20.777 8.439 12.698 1.00 34.20 O ATOM 1226 CB TYR A 76 18.441 7.757 11.110 1.00 63.52 C ATOM 1227 CG TYR A 76 19.363 6.560 11.042 1.00 45.32 C ATOM 1228 CD1 TYR A 76 19.325 5.573 12.019 1.00 62.34 C ATOM 1229 CD2 TYR A 76 20.274 6.418 10.002 1.00 74.12 C ATOM 1230 CE1 TYR A 76 20.166 4.478 11.961 1.00 3.21 C ATOM 1231 CE2 TYR A 76 21.117 5.326 9.935 1.00 4.25 C ATOM 1232 CZ TYR A 76 21.060 4.359 10.917 1.00 2.35 C ATOM 1233 OH TYR A 76 21.900 3.271 10.856 1.00 60.03 O ATOM 0 H TYR A 76 17.458 10.221 11.991 1.00 45.25 H new ATOM 0 HA TYR A 76 18.188 7.640 13.241 1.00 72.14 H new ATOM 0 HB2 TYR A 76 17.436 7.448 10.821 1.00 63.52 H new ATOM 0 HB3 TYR A 76 18.768 8.499 10.382 1.00 63.52 H new ATOM 0 HD1 TYR A 76 18.626 5.663 12.838 1.00 62.34 H new ATOM 0 HD2 TYR A 76 20.324 7.175 9.233 1.00 74.12 H new ATOM 0 HE1 TYR A 76 20.124 3.720 12.729 1.00 3.21 H new ATOM 0 HE2 TYR A 76 21.817 5.230 9.118 1.00 4.25 H new ATOM 0 HH TYR A 76 22.466 3.339 10.059 1.00 60.03 H new ATOM 1243 N ASN A 77 19.673 10.328 13.220 1.00 2.32 N ATOM 1244 CA ASN A 77 20.882 11.071 13.559 1.00 31.54 C ATOM 1245 C ASN A 77 21.914 10.971 12.440 1.00 33.30 C ATOM 1246 O ASN A 77 22.754 10.071 12.435 1.00 21.44 O ATOM 1247 CB ASN A 77 21.479 10.545 14.866 1.00 35.55 C ATOM 1248 CG ASN A 77 20.436 9.899 15.759 1.00 24.21 C ATOM 1249 OD1 ASN A 77 19.392 10.487 16.038 1.00 13.25 O ATOM 1250 ND2 ASN A 77 20.717 8.682 16.211 1.00 10.24 N ATOM 0 H ASN A 77 18.809 10.860 13.322 1.00 2.32 H new ATOM 0 HA ASN A 77 20.610 12.119 13.686 1.00 31.54 H new ATOM 0 HB2 ASN A 77 22.260 9.819 14.639 1.00 35.55 H new ATOM 0 HB3 ASN A 77 21.954 11.367 15.402 1.00 35.55 H new ATOM 0 HD21 ASN A 77 20.054 8.197 16.816 1.00 10.24 H new ATOM 0 HD22 ASN A 77 21.596 8.233 15.953 1.00 10.24 H new ATOM 1257 N ILE A 78 21.844 11.901 11.494 1.00 71.12 N ATOM 1258 CA ILE A 78 22.773 11.919 10.371 1.00 74.54 C ATOM 1259 C ILE A 78 23.733 13.099 10.469 1.00 15.25 C ATOM 1260 O ILE A 78 23.312 14.243 10.646 1.00 40.34 O ATOM 1261 CB ILE A 78 22.027 11.989 9.025 1.00 62.23 C ATOM 1262 CG1 ILE A 78 21.270 10.684 8.767 1.00 3.23 C ATOM 1263 CG2 ILE A 78 23.003 12.273 7.893 1.00 42.41 C ATOM 1264 CD1 ILE A 78 19.778 10.873 8.605 1.00 3.14 C ATOM 0 H ILE A 78 21.154 12.652 11.483 1.00 71.12 H new ATOM 0 HA ILE A 78 23.340 10.989 10.416 1.00 74.54 H new ATOM 0 HB ILE A 78 21.304 12.804 9.070 1.00 62.23 H new ATOM 0 HG12 ILE A 78 21.668 10.214 7.868 1.00 3.23 H new ATOM 0 HG13 ILE A 78 21.454 9.997 9.593 1.00 3.23 H new ATOM 0 HG21 ILE A 78 22.461 12.320 6.948 1.00 42.41 H new ATOM 0 HG22 ILE A 78 23.501 13.226 8.073 1.00 42.41 H new ATOM 0 HG23 ILE A 78 23.747 11.478 7.846 1.00 42.41 H new ATOM 0 HD11 ILE A 78 19.306 9.907 8.425 1.00 3.14 H new ATOM 0 HD12 ILE A 78 19.366 11.314 9.513 1.00 3.14 H new ATOM 0 HD13 ILE A 78 19.585 11.534 7.760 1.00 3.14 H new ATOM 1276 N THR A 79 25.026 12.815 10.353 1.00 21.23 N ATOM 1277 CA THR A 79 26.047 13.852 10.429 1.00 54.52 C ATOM 1278 C THR A 79 26.741 14.040 9.085 1.00 73.13 C ATOM 1279 O THR A 79 27.496 14.993 8.893 1.00 73.13 O ATOM 1280 CB THR A 79 27.105 13.523 11.499 1.00 73.04 C ATOM 1281 OG1 THR A 79 27.752 12.285 11.183 1.00 53.22 O ATOM 1282 CG2 THR A 79 26.470 13.432 12.878 1.00 74.41 C ATOM 0 H THR A 79 25.391 11.874 10.206 1.00 21.23 H new ATOM 0 HA THR A 79 25.538 14.776 10.705 1.00 54.52 H new ATOM 0 HB THR A 79 27.842 14.326 11.509 1.00 73.04 H new ATOM 0 HG1 THR A 79 28.424 12.083 11.867 1.00 53.22 H new ATOM 0 HG21 THR A 79 27.237 13.199 13.617 1.00 74.41 H new ATOM 0 HG22 THR A 79 26.004 14.385 13.127 1.00 74.41 H new ATOM 0 HG23 THR A 79 25.714 12.647 12.879 1.00 74.41 H new ATOM 1290 N SER A 80 26.480 13.125 8.156 1.00 34.04 N ATOM 1291 CA SER A 80 27.082 13.188 6.830 1.00 3.21 C ATOM 1292 C SER A 80 26.022 13.442 5.763 1.00 13.21 C ATOM 1293 O SER A 80 25.275 12.539 5.386 1.00 63.14 O ATOM 1294 CB SER A 80 27.829 11.889 6.524 1.00 62.34 C ATOM 1295 OG SER A 80 27.290 10.805 7.260 1.00 73.43 O ATOM 0 H SER A 80 25.855 12.331 8.298 1.00 34.04 H new ATOM 0 HA SER A 80 27.789 14.017 6.818 1.00 3.21 H new ATOM 0 HB2 SER A 80 27.769 11.674 5.457 1.00 62.34 H new ATOM 0 HB3 SER A 80 28.885 12.008 6.766 1.00 62.34 H new ATOM 0 HG SER A 80 26.328 10.736 7.084 1.00 73.43 H new ATOM 1301 N VAL A 81 25.961 14.679 5.280 1.00 4.34 N ATOM 1302 CA VAL A 81 24.994 15.054 4.256 1.00 33.11 C ATOM 1303 C VAL A 81 24.792 13.925 3.252 1.00 75.20 C ATOM 1304 O VAL A 81 23.683 13.427 3.055 1.00 31.10 O ATOM 1305 CB VAL A 81 25.436 16.323 3.503 1.00 22.32 C ATOM 1306 CG1 VAL A 81 24.319 17.355 3.493 1.00 72.44 C ATOM 1307 CG2 VAL A 81 26.699 16.898 4.126 1.00 11.44 C ATOM 0 H VAL A 81 26.571 15.439 5.582 1.00 4.34 H new ATOM 0 HA VAL A 81 24.053 15.254 4.768 1.00 33.11 H new ATOM 0 HB VAL A 81 25.657 16.053 2.470 1.00 22.32 H new ATOM 0 HG11 VAL A 81 24.650 18.244 2.957 1.00 72.44 H new ATOM 0 HG12 VAL A 81 23.442 16.938 2.997 1.00 72.44 H new ATOM 0 HG13 VAL A 81 24.063 17.624 4.518 1.00 72.44 H new ATOM 0 HG21 VAL A 81 26.998 17.794 3.582 1.00 11.44 H new ATOM 0 HG22 VAL A 81 26.507 17.153 5.168 1.00 11.44 H new ATOM 0 HG23 VAL A 81 27.499 16.159 4.075 1.00 11.44 H new ATOM 1317 N PRO A 82 25.888 13.509 2.600 1.00 12.05 N ATOM 1318 CA PRO A 82 25.857 12.433 1.606 1.00 70.42 C ATOM 1319 C PRO A 82 25.594 11.069 2.235 1.00 25.14 C ATOM 1320 O PRO A 82 26.513 10.269 2.417 1.00 44.33 O ATOM 1321 CB PRO A 82 27.258 12.477 0.991 1.00 3.25 C ATOM 1322 CG PRO A 82 28.117 13.080 2.049 1.00 13.32 C ATOM 1323 CD PRO A 82 27.242 14.057 2.785 1.00 11.32 C ATOM 0 HA PRO A 82 25.054 12.571 0.882 1.00 70.42 H new ATOM 0 HB2 PRO A 82 27.604 11.479 0.721 1.00 3.25 H new ATOM 0 HB3 PRO A 82 27.272 13.076 0.080 1.00 3.25 H new ATOM 0 HG2 PRO A 82 28.501 12.315 2.724 1.00 13.32 H new ATOM 0 HG3 PRO A 82 28.980 13.582 1.612 1.00 13.32 H new ATOM 0 HD2 PRO A 82 27.509 14.120 3.840 1.00 11.32 H new ATOM 0 HD3 PRO A 82 27.328 15.063 2.374 1.00 11.32 H new ATOM 1331 N THR A 83 24.334 10.808 2.567 1.00 12.03 N ATOM 1332 CA THR A 83 23.950 9.541 3.177 1.00 4.22 C ATOM 1333 C THR A 83 23.194 8.662 2.189 1.00 75.34 C ATOM 1334 O THR A 83 22.453 9.159 1.340 1.00 45.42 O ATOM 1335 CB THR A 83 23.076 9.761 4.426 1.00 75.22 C ATOM 1336 OG1 THR A 83 23.085 11.145 4.794 1.00 62.44 O ATOM 1337 CG2 THR A 83 23.573 8.918 5.590 1.00 21.13 C ATOM 0 H THR A 83 23.561 11.458 2.424 1.00 12.03 H new ATOM 0 HA THR A 83 24.872 9.040 3.472 1.00 4.22 H new ATOM 0 HB THR A 83 22.057 9.456 4.187 1.00 75.22 H new ATOM 0 HG1 THR A 83 23.988 11.404 5.073 1.00 62.44 H new ATOM 0 HG21 THR A 83 22.940 9.090 6.460 1.00 21.13 H new ATOM 0 HG22 THR A 83 23.536 7.863 5.317 1.00 21.13 H new ATOM 0 HG23 THR A 83 24.600 9.195 5.828 1.00 21.13 H new ATOM 1345 N PHE A 84 23.383 7.351 2.304 1.00 11.41 N ATOM 1346 CA PHE A 84 22.718 6.402 1.420 1.00 74.05 C ATOM 1347 C PHE A 84 22.015 5.311 2.222 1.00 22.23 C ATOM 1348 O PHE A 84 22.658 4.408 2.758 1.00 34.34 O ATOM 1349 CB PHE A 84 23.729 5.773 0.459 1.00 54.04 C ATOM 1350 CG PHE A 84 23.908 6.549 -0.815 1.00 4.23 C ATOM 1351 CD1 PHE A 84 23.609 5.975 -2.040 1.00 1.13 C ATOM 1352 CD2 PHE A 84 24.377 7.853 -0.787 1.00 22.24 C ATOM 1353 CE1 PHE A 84 23.773 6.687 -3.213 1.00 61.33 C ATOM 1354 CE2 PHE A 84 24.543 8.569 -1.957 1.00 13.33 C ATOM 1355 CZ PHE A 84 24.242 7.985 -3.172 1.00 15.24 C ATOM 0 H PHE A 84 23.992 6.922 3.001 1.00 11.41 H new ATOM 0 HA PHE A 84 21.968 6.945 0.844 1.00 74.05 H new ATOM 0 HB2 PHE A 84 24.692 5.688 0.962 1.00 54.04 H new ATOM 0 HB3 PHE A 84 23.406 4.761 0.216 1.00 54.04 H new ATOM 0 HD1 PHE A 84 23.244 4.959 -2.079 1.00 1.13 H new ATOM 0 HD2 PHE A 84 24.615 8.315 0.160 1.00 22.24 H new ATOM 0 HE1 PHE A 84 23.534 6.228 -4.161 1.00 61.33 H new ATOM 0 HE2 PHE A 84 24.908 9.585 -1.922 1.00 13.33 H new ATOM 0 HZ PHE A 84 24.373 8.542 -4.088 1.00 15.24 H new ATOM 1365 N VAL A 85 20.691 5.402 2.301 1.00 24.23 N ATOM 1366 CA VAL A 85 19.900 4.423 3.038 1.00 44.13 C ATOM 1367 C VAL A 85 19.143 3.502 2.088 1.00 64.40 C ATOM 1368 O VAL A 85 18.516 3.959 1.132 1.00 62.30 O ATOM 1369 CB VAL A 85 18.894 5.110 3.980 1.00 21.43 C ATOM 1370 CG1 VAL A 85 18.386 4.128 5.026 1.00 42.24 C ATOM 1371 CG2 VAL A 85 19.527 6.325 4.641 1.00 21.20 C ATOM 0 H VAL A 85 20.144 6.143 1.864 1.00 24.23 H new ATOM 0 HA VAL A 85 20.598 3.833 3.632 1.00 44.13 H new ATOM 0 HB VAL A 85 18.043 5.449 3.390 1.00 21.43 H new ATOM 0 HG11 VAL A 85 17.676 4.631 5.683 1.00 42.24 H new ATOM 0 HG12 VAL A 85 17.892 3.292 4.531 1.00 42.24 H new ATOM 0 HG13 VAL A 85 19.225 3.757 5.615 1.00 42.24 H new ATOM 0 HG21 VAL A 85 18.802 6.798 5.303 1.00 21.20 H new ATOM 0 HG22 VAL A 85 20.397 6.013 5.219 1.00 21.20 H new ATOM 0 HG23 VAL A 85 19.837 7.036 3.875 1.00 21.20 H new ATOM 1381 N ILE A 86 19.206 2.202 2.358 1.00 0.11 N ATOM 1382 CA ILE A 86 18.525 1.216 1.528 1.00 11.23 C ATOM 1383 C ILE A 86 17.489 0.440 2.335 1.00 41.32 C ATOM 1384 O ILE A 86 17.828 -0.259 3.289 1.00 63.24 O ATOM 1385 CB ILE A 86 19.521 0.222 0.902 1.00 1.53 C ATOM 1386 CG1 ILE A 86 20.852 0.918 0.608 1.00 31.22 C ATOM 1387 CG2 ILE A 86 18.940 -0.381 -0.368 1.00 3.50 C ATOM 1388 CD1 ILE A 86 21.892 0.001 0.002 1.00 55.41 C ATOM 0 H ILE A 86 19.722 1.808 3.145 1.00 0.11 H new ATOM 0 HA ILE A 86 18.024 1.766 0.731 1.00 11.23 H new ATOM 0 HB ILE A 86 19.703 -0.584 1.613 1.00 1.53 H new ATOM 0 HG12 ILE A 86 20.675 1.752 -0.071 1.00 31.22 H new ATOM 0 HG13 ILE A 86 21.245 1.339 1.534 1.00 31.22 H new ATOM 0 HG21 ILE A 86 19.656 -1.081 -0.799 1.00 3.50 H new ATOM 0 HG22 ILE A 86 18.015 -0.907 -0.131 1.00 3.50 H new ATOM 0 HG23 ILE A 86 18.732 0.413 -1.086 1.00 3.50 H new ATOM 0 HD11 ILE A 86 22.809 0.561 -0.180 1.00 55.41 H new ATOM 0 HD12 ILE A 86 22.098 -0.820 0.689 1.00 55.41 H new ATOM 0 HD13 ILE A 86 21.519 -0.400 -0.940 1.00 55.41 H new ATOM 1400 N GLU A 87 16.225 0.568 1.943 1.00 1.34 N ATOM 1401 CA GLU A 87 15.140 -0.122 2.630 1.00 32.31 C ATOM 1402 C GLU A 87 14.557 -1.227 1.753 1.00 21.14 C ATOM 1403 O GLU A 87 14.932 -1.375 0.590 1.00 73.20 O ATOM 1404 CB GLU A 87 14.040 0.868 3.019 1.00 45.41 C ATOM 1405 CG GLU A 87 13.027 1.117 1.915 1.00 51.34 C ATOM 1406 CD GLU A 87 13.677 1.527 0.607 1.00 1.05 C ATOM 1407 OE1 GLU A 87 14.178 2.668 0.527 1.00 4.21 O ATOM 1408 OE2 GLU A 87 13.685 0.708 -0.335 1.00 34.44 O ATOM 0 H GLU A 87 15.928 1.142 1.154 1.00 1.34 H new ATOM 0 HA GLU A 87 15.547 -0.575 3.534 1.00 32.31 H new ATOM 0 HB2 GLU A 87 13.520 0.492 3.900 1.00 45.41 H new ATOM 0 HB3 GLU A 87 14.499 1.816 3.300 1.00 45.41 H new ATOM 0 HG2 GLU A 87 12.439 0.213 1.756 1.00 51.34 H new ATOM 0 HG3 GLU A 87 12.334 1.897 2.232 1.00 51.34 H new ATOM 1415 N LYS A 88 13.638 -2.001 2.321 1.00 63.45 N ATOM 1416 CA LYS A 88 13.002 -3.093 1.593 1.00 51.12 C ATOM 1417 C LYS A 88 11.802 -3.634 2.364 1.00 60.14 C ATOM 1418 O LYS A 88 11.950 -4.194 3.449 1.00 3.20 O ATOM 1419 CB LYS A 88 14.007 -4.218 1.338 1.00 25.11 C ATOM 1420 CG LYS A 88 13.520 -5.255 0.341 1.00 21.32 C ATOM 1421 CD LYS A 88 12.941 -6.473 1.042 1.00 63.23 C ATOM 1422 CE LYS A 88 11.558 -6.816 0.511 1.00 72.31 C ATOM 1423 NZ LYS A 88 11.047 -8.095 1.079 1.00 44.15 N ATOM 0 H LYS A 88 13.317 -1.892 3.283 1.00 63.45 H new ATOM 0 HA LYS A 88 12.652 -2.704 0.637 1.00 51.12 H new ATOM 0 HB2 LYS A 88 14.939 -3.786 0.974 1.00 25.11 H new ATOM 0 HB3 LYS A 88 14.233 -4.713 2.283 1.00 25.11 H new ATOM 0 HG2 LYS A 88 12.763 -4.812 -0.306 1.00 21.32 H new ATOM 0 HG3 LYS A 88 14.347 -5.562 -0.300 1.00 21.32 H new ATOM 0 HD2 LYS A 88 13.607 -7.325 0.903 1.00 63.23 H new ATOM 0 HD3 LYS A 88 12.884 -6.284 2.114 1.00 63.23 H new ATOM 0 HE2 LYS A 88 10.866 -6.009 0.752 1.00 72.31 H new ATOM 0 HE3 LYS A 88 11.594 -6.890 -0.576 1.00 72.31 H new ATOM 0 HZ1 LYS A 88 10.102 -8.294 0.692 1.00 44.15 H new ATOM 0 HZ2 LYS A 88 11.694 -8.870 0.827 1.00 44.15 H new ATOM 0 HZ3 LYS A 88 10.988 -8.016 2.114 1.00 44.15 H new ATOM 1437 N GLY A 89 10.613 -3.464 1.794 1.00 74.20 N ATOM 1438 CA GLY A 89 9.405 -3.942 2.441 1.00 30.43 C ATOM 1439 C GLY A 89 8.951 -3.033 3.565 1.00 14.34 C ATOM 1440 O GLY A 89 7.955 -3.309 4.233 1.00 20.02 O ATOM 0 H GLY A 89 10.465 -3.004 0.896 1.00 74.20 H new ATOM 0 HA2 GLY A 89 8.609 -4.025 1.701 1.00 30.43 H new ATOM 0 HA3 GLY A 89 9.580 -4.943 2.835 1.00 30.43 H new ATOM 1444 N GLY A 90 9.684 -1.944 3.777 1.00 53.44 N ATOM 1445 CA GLY A 90 9.336 -1.008 4.830 1.00 53.11 C ATOM 1446 C GLY A 90 10.214 -1.162 6.056 1.00 52.13 C ATOM 1447 O GLY A 90 9.735 -1.067 7.185 1.00 20.03 O ATOM 0 H GLY A 90 10.513 -1.693 3.238 1.00 53.44 H new ATOM 0 HA2 GLY A 90 9.423 0.010 4.450 1.00 53.11 H new ATOM 0 HA3 GLY A 90 8.294 -1.155 5.113 1.00 53.11 H new ATOM 1451 N GLU A 91 11.502 -1.402 5.833 1.00 42.24 N ATOM 1452 CA GLU A 91 12.448 -1.572 6.929 1.00 10.24 C ATOM 1453 C GLU A 91 13.885 -1.429 6.436 1.00 51.41 C ATOM 1454 O GLU A 91 14.188 -1.637 5.261 1.00 1.00 O ATOM 1455 CB GLU A 91 12.258 -2.939 7.589 1.00 34.31 C ATOM 1456 CG GLU A 91 11.603 -2.869 8.958 1.00 15.42 C ATOM 1457 CD GLU A 91 12.143 -3.911 9.918 1.00 73.12 C ATOM 1458 OE1 GLU A 91 11.878 -5.112 9.699 1.00 42.14 O ATOM 1459 OE2 GLU A 91 12.829 -3.527 10.887 1.00 1.25 O ATOM 0 H GLU A 91 11.914 -1.483 4.903 1.00 42.24 H new ATOM 0 HA GLU A 91 12.255 -0.791 7.665 1.00 10.24 H new ATOM 0 HB2 GLU A 91 11.651 -3.566 6.937 1.00 34.31 H new ATOM 0 HB3 GLU A 91 13.229 -3.425 7.685 1.00 34.31 H new ATOM 0 HG2 GLU A 91 11.758 -1.876 9.380 1.00 15.42 H new ATOM 0 HG3 GLU A 91 10.527 -3.004 8.849 1.00 15.42 H new ATOM 1466 N PRO A 92 14.792 -1.064 7.354 1.00 12.43 N ATOM 1467 CA PRO A 92 16.212 -0.884 7.037 1.00 74.11 C ATOM 1468 C PRO A 92 16.909 -2.205 6.731 1.00 72.21 C ATOM 1469 O PRO A 92 16.820 -3.160 7.505 1.00 43.53 O ATOM 1470 CB PRO A 92 16.784 -0.260 8.312 1.00 30.22 C ATOM 1471 CG PRO A 92 15.866 -0.707 9.397 1.00 1.23 C ATOM 1472 CD PRO A 92 14.501 -0.799 8.773 1.00 1.33 C ATOM 0 HA PRO A 92 16.357 -0.273 6.146 1.00 74.11 H new ATOM 0 HB2 PRO A 92 17.805 -0.596 8.494 1.00 30.22 H new ATOM 0 HB3 PRO A 92 16.814 0.827 8.242 1.00 30.22 H new ATOM 0 HG2 PRO A 92 16.177 -1.671 9.799 1.00 1.23 H new ATOM 0 HG3 PRO A 92 15.869 -0.000 10.227 1.00 1.23 H new ATOM 0 HD2 PRO A 92 13.909 -1.599 9.218 1.00 1.33 H new ATOM 0 HD3 PRO A 92 13.937 0.125 8.902 1.00 1.33 H new ATOM 1480 N LEU A 93 17.602 -2.254 5.599 1.00 63.40 N ATOM 1481 CA LEU A 93 18.316 -3.460 5.191 1.00 50.53 C ATOM 1482 C LEU A 93 19.825 -3.246 5.252 1.00 50.34 C ATOM 1483 O LEU A 93 20.575 -4.144 5.632 1.00 13.11 O ATOM 1484 CB LEU A 93 17.904 -3.865 3.775 1.00 74.14 C ATOM 1485 CG LEU A 93 18.230 -5.302 3.366 1.00 35.23 C ATOM 1486 CD1 LEU A 93 17.301 -6.280 4.069 1.00 70.42 C ATOM 1487 CD2 LEU A 93 18.132 -5.463 1.856 1.00 4.41 C ATOM 0 H LEU A 93 17.685 -1.474 4.947 1.00 63.40 H new ATOM 0 HA LEU A 93 18.053 -4.260 5.883 1.00 50.53 H new ATOM 0 HB2 LEU A 93 16.829 -3.715 3.674 1.00 74.14 H new ATOM 0 HB3 LEU A 93 18.388 -3.189 3.070 1.00 74.14 H new ATOM 0 HG LEU A 93 19.254 -5.522 3.669 1.00 35.23 H new ATOM 0 HD11 LEU A 93 17.547 -7.298 3.766 1.00 70.42 H new ATOM 0 HD12 LEU A 93 17.420 -6.184 5.148 1.00 70.42 H new ATOM 0 HD13 LEU A 93 16.269 -6.060 3.797 1.00 70.42 H new ATOM 0 HD21 LEU A 93 18.367 -6.492 1.584 1.00 4.41 H new ATOM 0 HD22 LEU A 93 17.120 -5.224 1.529 1.00 4.41 H new ATOM 0 HD23 LEU A 93 18.838 -4.789 1.372 1.00 4.41 H new ATOM 1499 N GLY A 94 20.264 -2.048 4.876 1.00 73.13 N ATOM 1500 CA GLY A 94 21.681 -1.737 4.897 1.00 50.01 C ATOM 1501 C GLY A 94 21.947 -0.254 5.063 1.00 14.12 C ATOM 1502 O GLY A 94 21.056 0.503 5.447 1.00 75.01 O ATOM 0 H GLY A 94 19.663 -1.288 4.557 1.00 73.13 H new ATOM 0 HA2 GLY A 94 22.157 -2.282 5.712 1.00 50.01 H new ATOM 0 HA3 GLY A 94 22.140 -2.084 3.971 1.00 50.01 H new ATOM 1506 N GLU A 95 23.176 0.162 4.775 1.00 22.43 N ATOM 1507 CA GLU A 95 23.556 1.564 4.898 1.00 22.00 C ATOM 1508 C GLU A 95 24.902 1.824 4.228 1.00 64.51 C ATOM 1509 O GLU A 95 25.750 0.934 4.146 1.00 13.14 O ATOM 1510 CB GLU A 95 23.621 1.971 6.372 1.00 72.24 C ATOM 1511 CG GLU A 95 24.840 1.430 7.099 1.00 1.24 C ATOM 1512 CD GLU A 95 24.630 1.334 8.598 1.00 32.21 C ATOM 1513 OE1 GLU A 95 23.676 0.646 9.020 1.00 65.24 O ATOM 1514 OE2 GLU A 95 25.418 1.946 9.349 1.00 74.11 O ATOM 0 H GLU A 95 23.925 -0.452 4.455 1.00 22.43 H new ATOM 0 HA GLU A 95 22.797 2.164 4.396 1.00 22.00 H new ATOM 0 HB2 GLU A 95 23.621 3.059 6.440 1.00 72.24 H new ATOM 0 HB3 GLU A 95 22.721 1.620 6.877 1.00 72.24 H new ATOM 0 HG2 GLU A 95 25.084 0.443 6.706 1.00 1.24 H new ATOM 0 HG3 GLU A 95 25.695 2.075 6.896 1.00 1.24 H new ATOM 1521 N VAL A 96 25.092 3.049 3.749 1.00 72.13 N ATOM 1522 CA VAL A 96 26.334 3.427 3.086 1.00 63.01 C ATOM 1523 C VAL A 96 26.630 4.910 3.278 1.00 40.24 C ATOM 1524 O VAL A 96 25.719 5.737 3.312 1.00 14.24 O ATOM 1525 CB VAL A 96 26.284 3.115 1.578 1.00 15.54 C ATOM 1526 CG1 VAL A 96 27.560 3.580 0.894 1.00 70.12 C ATOM 1527 CG2 VAL A 96 26.056 1.629 1.349 1.00 24.23 C ATOM 0 H VAL A 96 24.401 3.797 3.808 1.00 72.13 H new ATOM 0 HA VAL A 96 27.129 2.839 3.544 1.00 63.01 H new ATOM 0 HB VAL A 96 25.447 3.659 1.139 1.00 15.54 H new ATOM 0 HG11 VAL A 96 27.506 3.351 -0.170 1.00 70.12 H new ATOM 0 HG12 VAL A 96 27.674 4.656 1.029 1.00 70.12 H new ATOM 0 HG13 VAL A 96 28.416 3.067 1.333 1.00 70.12 H new ATOM 0 HG21 VAL A 96 26.023 1.427 0.278 1.00 24.23 H new ATOM 0 HG22 VAL A 96 26.870 1.062 1.801 1.00 24.23 H new ATOM 0 HG23 VAL A 96 25.111 1.332 1.803 1.00 24.23 H new ATOM 1537 N LYS A 97 27.911 5.241 3.401 1.00 11.22 N ATOM 1538 CA LYS A 97 28.329 6.625 3.588 1.00 43.53 C ATOM 1539 C LYS A 97 29.750 6.838 3.075 1.00 1.12 C ATOM 1540 O LYS A 97 30.636 6.019 3.315 1.00 71.44 O ATOM 1541 CB LYS A 97 28.246 7.010 5.067 1.00 44.14 C ATOM 1542 CG LYS A 97 29.416 6.505 5.893 1.00 23.10 C ATOM 1543 CD LYS A 97 28.991 6.161 7.311 1.00 55.14 C ATOM 1544 CE LYS A 97 28.669 7.412 8.115 1.00 70.54 C ATOM 1545 NZ LYS A 97 27.275 7.880 7.878 1.00 45.22 N ATOM 0 H LYS A 97 28.678 4.569 3.374 1.00 11.22 H new ATOM 0 HA LYS A 97 27.655 7.262 3.015 1.00 43.53 H new ATOM 0 HB2 LYS A 97 28.196 8.096 5.149 1.00 44.14 H new ATOM 0 HB3 LYS A 97 27.320 6.616 5.485 1.00 44.14 H new ATOM 0 HG2 LYS A 97 29.845 5.623 5.417 1.00 23.10 H new ATOM 0 HG3 LYS A 97 30.198 7.264 5.921 1.00 23.10 H new ATOM 0 HD2 LYS A 97 28.117 5.510 7.282 1.00 55.14 H new ATOM 0 HD3 LYS A 97 29.787 5.604 7.806 1.00 55.14 H new ATOM 0 HE2 LYS A 97 28.808 7.207 9.177 1.00 70.54 H new ATOM 0 HE3 LYS A 97 29.368 8.205 7.849 1.00 70.54 H new ATOM 0 HZ1 LYS A 97 27.295 8.777 7.352 1.00 45.22 H new ATOM 0 HZ2 LYS A 97 26.758 7.166 7.326 1.00 45.22 H new ATOM 0 HZ3 LYS A 97 26.797 8.024 8.791 1.00 45.22 H new ATOM 1559 N GLY A 98 29.961 7.945 2.369 1.00 14.24 N ATOM 1560 CA GLY A 98 31.276 8.246 1.836 1.00 62.23 C ATOM 1561 C GLY A 98 31.273 8.377 0.326 1.00 42.24 C ATOM 1562 O GLY A 98 30.358 7.916 -0.357 1.00 42.21 O ATOM 0 H GLY A 98 29.244 8.639 2.157 1.00 14.24 H new ATOM 0 HA2 GLY A 98 31.640 9.174 2.277 1.00 62.23 H new ATOM 0 HA3 GLY A 98 31.972 7.460 2.128 1.00 62.23 H new ATOM 1566 N PRO A 99 32.316 9.021 -0.218 1.00 44.33 N ATOM 1567 CA PRO A 99 32.453 9.228 -1.663 1.00 41.11 C ATOM 1568 C PRO A 99 32.740 7.930 -2.410 1.00 73.00 C ATOM 1569 O PRO A 99 33.889 7.630 -2.735 1.00 12.24 O ATOM 1570 CB PRO A 99 33.645 10.183 -1.774 1.00 35.24 C ATOM 1571 CG PRO A 99 34.440 9.941 -0.537 1.00 55.21 C ATOM 1572 CD PRO A 99 33.443 9.597 0.535 1.00 21.21 C ATOM 0 HA PRO A 99 31.536 9.615 -2.107 1.00 41.11 H new ATOM 0 HB2 PRO A 99 34.233 9.980 -2.669 1.00 35.24 H new ATOM 0 HB3 PRO A 99 33.317 11.220 -1.837 1.00 35.24 H new ATOM 0 HG2 PRO A 99 35.152 9.129 -0.683 1.00 55.21 H new ATOM 0 HG3 PRO A 99 35.017 10.825 -0.265 1.00 55.21 H new ATOM 0 HD2 PRO A 99 33.853 8.885 1.251 1.00 21.21 H new ATOM 0 HD3 PRO A 99 33.140 10.479 1.100 1.00 21.21 H new ATOM 1580 N ASP A 100 31.689 7.164 -2.680 1.00 34.21 N ATOM 1581 CA ASP A 100 31.827 5.898 -3.390 1.00 65.14 C ATOM 1582 C ASP A 100 30.701 5.717 -4.403 1.00 70.30 C ATOM 1583 O ASP A 100 30.079 4.656 -4.470 1.00 55.44 O ATOM 1584 CB ASP A 100 31.833 4.731 -2.401 1.00 43.42 C ATOM 1585 CG ASP A 100 30.490 4.539 -1.725 1.00 61.22 C ATOM 1586 OD1 ASP A 100 29.670 5.481 -1.754 1.00 25.10 O ATOM 1587 OD2 ASP A 100 30.258 3.446 -1.168 1.00 21.20 O ATOM 0 H ASP A 100 30.731 7.398 -2.418 1.00 34.21 H new ATOM 0 HA ASP A 100 32.775 5.913 -3.927 1.00 65.14 H new ATOM 0 HB2 ASP A 100 32.107 3.815 -2.925 1.00 43.42 H new ATOM 0 HB3 ASP A 100 32.597 4.905 -1.643 1.00 43.42 H new ATOM 1592 N ILE A 101 30.444 6.758 -5.187 1.00 42.13 N ATOM 1593 CA ILE A 101 29.393 6.713 -6.196 1.00 11.31 C ATOM 1594 C ILE A 101 29.658 5.613 -7.218 1.00 44.43 C ATOM 1595 O ILE A 101 28.727 5.033 -7.777 1.00 44.54 O ATOM 1596 CB ILE A 101 29.260 8.060 -6.931 1.00 12.34 C ATOM 1597 CG1 ILE A 101 28.603 9.100 -6.020 1.00 4.00 C ATOM 1598 CG2 ILE A 101 28.457 7.888 -8.211 1.00 61.15 C ATOM 1599 CD1 ILE A 101 27.193 8.739 -5.609 1.00 40.12 C ATOM 0 H ILE A 101 30.949 7.643 -5.143 1.00 42.13 H new ATOM 0 HA ILE A 101 28.461 6.501 -5.671 1.00 11.31 H new ATOM 0 HB ILE A 101 30.257 8.413 -7.195 1.00 12.34 H new ATOM 0 HG12 ILE A 101 29.213 9.224 -5.125 1.00 4.00 H new ATOM 0 HG13 ILE A 101 28.588 10.062 -6.532 1.00 4.00 H new ATOM 0 HG21 ILE A 101 28.372 8.849 -8.719 1.00 61.15 H new ATOM 0 HG22 ILE A 101 28.961 7.176 -8.864 1.00 61.15 H new ATOM 0 HG23 ILE A 101 27.461 7.516 -7.969 1.00 61.15 H new ATOM 0 HD11 ILE A 101 26.790 9.521 -4.965 1.00 40.12 H new ATOM 0 HD12 ILE A 101 26.568 8.643 -6.497 1.00 40.12 H new ATOM 0 HD13 ILE A 101 27.203 7.793 -5.068 1.00 40.12 H new ATOM 1611 N ASP A 102 30.934 5.330 -7.456 1.00 43.45 N ATOM 1612 CA ASP A 102 31.323 4.298 -8.410 1.00 23.44 C ATOM 1613 C ASP A 102 31.184 2.909 -7.793 1.00 41.12 C ATOM 1614 O ASP A 102 30.615 2.002 -8.401 1.00 51.20 O ATOM 1615 CB ASP A 102 32.763 4.520 -8.876 1.00 11.10 C ATOM 1616 CG ASP A 102 32.857 4.758 -10.370 1.00 62.33 C ATOM 1617 OD1 ASP A 102 33.760 4.176 -11.008 1.00 75.52 O ATOM 1618 OD2 ASP A 102 32.028 5.525 -10.902 1.00 41.00 O ATOM 0 H ASP A 102 31.716 5.801 -7.001 1.00 43.45 H new ATOM 0 HA ASP A 102 30.657 4.363 -9.270 1.00 23.44 H new ATOM 0 HB2 ASP A 102 33.185 5.375 -8.347 1.00 11.10 H new ATOM 0 HB3 ASP A 102 33.366 3.652 -8.611 1.00 11.10 H new ATOM 1623 N LYS A 103 31.709 2.749 -6.583 1.00 14.31 N ATOM 1624 CA LYS A 103 31.643 1.472 -5.883 1.00 4.02 C ATOM 1625 C LYS A 103 30.216 1.167 -5.439 1.00 3.23 C ATOM 1626 O LYS A 103 29.882 0.022 -5.131 1.00 2.20 O ATOM 1627 CB LYS A 103 32.575 1.484 -4.669 1.00 0.43 C ATOM 1628 CG LYS A 103 32.868 0.102 -4.113 1.00 21.42 C ATOM 1629 CD LYS A 103 33.622 0.178 -2.796 1.00 14.45 C ATOM 1630 CE LYS A 103 34.712 -0.879 -2.715 1.00 1.22 C ATOM 1631 NZ LYS A 103 36.072 -0.272 -2.683 1.00 74.04 N ATOM 0 H LYS A 103 32.185 3.489 -6.067 1.00 14.31 H new ATOM 0 HA LYS A 103 31.964 0.691 -6.573 1.00 4.02 H new ATOM 0 HB2 LYS A 103 33.515 1.961 -4.948 1.00 0.43 H new ATOM 0 HB3 LYS A 103 32.128 2.095 -3.885 1.00 0.43 H new ATOM 0 HG2 LYS A 103 31.933 -0.438 -3.967 1.00 21.42 H new ATOM 0 HG3 LYS A 103 33.454 -0.465 -4.836 1.00 21.42 H new ATOM 0 HD2 LYS A 103 34.065 1.168 -2.686 1.00 14.45 H new ATOM 0 HD3 LYS A 103 32.925 0.047 -1.968 1.00 14.45 H new ATOM 0 HE2 LYS A 103 34.564 -1.486 -1.822 1.00 1.22 H new ATOM 0 HE3 LYS A 103 34.633 -1.548 -3.572 1.00 1.22 H new ATOM 0 HZ1 LYS A 103 36.787 -1.025 -2.628 1.00 74.04 H new ATOM 0 HZ2 LYS A 103 36.223 0.286 -3.547 1.00 74.04 H new ATOM 0 HZ3 LYS A 103 36.156 0.347 -1.852 1.00 74.04 H new ATOM 1645 N LEU A 104 29.378 2.197 -5.409 1.00 2.42 N ATOM 1646 CA LEU A 104 27.986 2.039 -5.004 1.00 13.32 C ATOM 1647 C LEU A 104 27.321 0.902 -5.773 1.00 32.05 C ATOM 1648 O LEU A 104 26.435 0.223 -5.253 1.00 24.43 O ATOM 1649 CB LEU A 104 27.217 3.342 -5.231 1.00 72.14 C ATOM 1650 CG LEU A 104 25.794 3.388 -4.673 1.00 21.01 C ATOM 1651 CD1 LEU A 104 25.782 4.029 -3.294 1.00 5.21 C ATOM 1652 CD2 LEU A 104 24.873 4.141 -5.621 1.00 51.43 C ATOM 0 H LEU A 104 29.638 3.151 -5.660 1.00 2.42 H new ATOM 0 HA LEU A 104 27.968 1.794 -3.942 1.00 13.32 H new ATOM 0 HB2 LEU A 104 27.786 4.159 -4.787 1.00 72.14 H new ATOM 0 HB3 LEU A 104 27.172 3.531 -6.303 1.00 72.14 H new ATOM 0 HG LEU A 104 25.428 2.366 -4.579 1.00 21.01 H new ATOM 0 HD11 LEU A 104 24.761 4.053 -2.913 1.00 5.21 H new ATOM 0 HD12 LEU A 104 26.408 3.448 -2.617 1.00 5.21 H new ATOM 0 HD13 LEU A 104 26.168 5.046 -3.362 1.00 5.21 H new ATOM 0 HD21 LEU A 104 23.865 4.164 -5.207 1.00 51.43 H new ATOM 0 HD22 LEU A 104 25.236 5.161 -5.748 1.00 51.43 H new ATOM 0 HD23 LEU A 104 24.857 3.639 -6.588 1.00 51.43 H new ATOM 1664 N ARG A 105 27.755 0.699 -7.012 1.00 40.31 N ATOM 1665 CA ARG A 105 27.203 -0.357 -7.852 1.00 54.51 C ATOM 1666 C ARG A 105 27.436 -1.728 -7.225 1.00 73.02 C ATOM 1667 O ARG A 105 26.578 -2.608 -7.298 1.00 3.41 O ATOM 1668 CB ARG A 105 27.829 -0.308 -9.247 1.00 23.32 C ATOM 1669 CG ARG A 105 29.328 -0.562 -9.250 1.00 72.43 C ATOM 1670 CD ARG A 105 29.995 0.059 -10.467 1.00 63.44 C ATOM 1671 NE ARG A 105 31.421 -0.252 -10.528 1.00 1.23 N ATOM 1672 CZ ARG A 105 31.900 -1.450 -10.844 1.00 34.13 C ATOM 1673 NH1 ARG A 105 31.070 -2.445 -11.127 1.00 23.13 N ATOM 1674 NH2 ARG A 105 33.210 -1.655 -10.877 1.00 42.34 N ATOM 0 H ARG A 105 28.488 1.252 -7.457 1.00 40.31 H new ATOM 0 HA ARG A 105 26.129 -0.194 -7.938 1.00 54.51 H new ATOM 0 HB2 ARG A 105 27.342 -1.049 -9.881 1.00 23.32 H new ATOM 0 HB3 ARG A 105 27.633 0.669 -9.690 1.00 23.32 H new ATOM 0 HG2 ARG A 105 29.770 -0.151 -8.342 1.00 72.43 H new ATOM 0 HG3 ARG A 105 29.516 -1.636 -9.238 1.00 72.43 H new ATOM 0 HD2 ARG A 105 29.506 -0.302 -11.372 1.00 63.44 H new ATOM 0 HD3 ARG A 105 29.861 1.140 -10.442 1.00 63.44 H new ATOM 0 HE ARG A 105 32.086 0.492 -10.316 1.00 1.23 H new ATOM 0 HH11 ARG A 105 30.062 -2.291 -11.102 1.00 23.13 H new ATOM 0 HH12 ARG A 105 31.440 -3.364 -11.369 1.00 23.13 H new ATOM 0 HH21 ARG A 105 33.851 -0.892 -10.660 1.00 42.34 H new ATOM 0 HH22 ARG A 105 33.576 -2.576 -11.120 1.00 42.34 H new ATOM 1688 N GLU A 106 28.602 -1.902 -6.610 1.00 54.35 N ATOM 1689 CA GLU A 106 28.947 -3.167 -5.972 1.00 41.45 C ATOM 1690 C GLU A 106 28.591 -3.143 -4.489 1.00 12.31 C ATOM 1691 O GLU A 106 28.481 -4.188 -3.847 1.00 72.35 O ATOM 1692 CB GLU A 106 30.439 -3.460 -6.145 1.00 52.24 C ATOM 1693 CG GLU A 106 31.341 -2.457 -5.446 1.00 22.22 C ATOM 1694 CD GLU A 106 32.768 -2.953 -5.308 1.00 74.11 C ATOM 1695 OE1 GLU A 106 33.097 -3.521 -4.246 1.00 24.40 O ATOM 1696 OE2 GLU A 106 33.554 -2.773 -6.261 1.00 53.23 O ATOM 0 H GLU A 106 29.323 -1.184 -6.540 1.00 54.35 H new ATOM 0 HA GLU A 106 28.370 -3.957 -6.453 1.00 41.45 H new ATOM 0 HB2 GLU A 106 30.652 -4.457 -5.760 1.00 52.24 H new ATOM 0 HB3 GLU A 106 30.678 -3.471 -7.209 1.00 52.24 H new ATOM 0 HG2 GLU A 106 31.338 -1.521 -6.004 1.00 22.22 H new ATOM 0 HG3 GLU A 106 30.938 -2.240 -4.457 1.00 22.22 H new ATOM 1703 N THR A 107 28.412 -1.941 -3.948 1.00 72.34 N ATOM 1704 CA THR A 107 28.070 -1.780 -2.541 1.00 10.31 C ATOM 1705 C THR A 107 26.579 -1.998 -2.309 1.00 2.44 C ATOM 1706 O THR A 107 26.163 -2.413 -1.226 1.00 63.12 O ATOM 1707 CB THR A 107 28.459 -0.381 -2.025 1.00 62.32 C ATOM 1708 OG1 THR A 107 29.740 -0.007 -2.544 1.00 43.01 O ATOM 1709 CG2 THR A 107 28.495 -0.356 -0.505 1.00 2.04 C ATOM 0 H THR A 107 28.498 -1.065 -4.464 1.00 72.34 H new ATOM 0 HA THR A 107 28.634 -2.533 -1.990 1.00 10.31 H new ATOM 0 HB THR A 107 27.707 0.331 -2.366 1.00 62.32 H new ATOM 0 HG1 THR A 107 29.809 -0.290 -3.480 1.00 43.01 H new ATOM 0 HG21 THR A 107 28.772 0.642 -0.164 1.00 2.04 H new ATOM 0 HG22 THR A 107 27.511 -0.613 -0.113 1.00 2.04 H new ATOM 0 HG23 THR A 107 29.228 -1.078 -0.146 1.00 2.04 H new ATOM 1717 N LEU A 108 25.779 -1.716 -3.331 1.00 13.25 N ATOM 1718 CA LEU A 108 24.332 -1.882 -3.238 1.00 23.01 C ATOM 1719 C LEU A 108 23.927 -3.316 -3.563 1.00 22.34 C ATOM 1720 O LEU A 108 22.870 -3.784 -3.139 1.00 61.22 O ATOM 1721 CB LEU A 108 23.626 -0.913 -4.188 1.00 30.04 C ATOM 1722 CG LEU A 108 23.215 -1.484 -5.545 1.00 51.23 C ATOM 1723 CD1 LEU A 108 21.823 -2.093 -5.469 1.00 44.21 C ATOM 1724 CD2 LEU A 108 23.269 -0.404 -6.616 1.00 55.12 C ATOM 0 H LEU A 108 26.107 -1.372 -4.233 1.00 13.25 H new ATOM 0 HA LEU A 108 24.030 -1.662 -2.214 1.00 23.01 H new ATOM 0 HB2 LEU A 108 22.733 -0.533 -3.691 1.00 30.04 H new ATOM 0 HB3 LEU A 108 24.283 -0.060 -4.359 1.00 30.04 H new ATOM 0 HG LEU A 108 23.919 -2.271 -5.815 1.00 51.23 H new ATOM 0 HD11 LEU A 108 21.548 -2.494 -6.444 1.00 44.21 H new ATOM 0 HD12 LEU A 108 21.817 -2.896 -4.731 1.00 44.21 H new ATOM 0 HD13 LEU A 108 21.106 -1.326 -5.177 1.00 44.21 H new ATOM 0 HD21 LEU A 108 22.973 -0.828 -7.576 1.00 55.12 H new ATOM 0 HD22 LEU A 108 22.588 0.405 -6.352 1.00 55.12 H new ATOM 0 HD23 LEU A 108 24.284 -0.014 -6.689 1.00 55.12 H new ATOM 1736 N ASP A 109 24.775 -4.009 -4.314 1.00 63.23 N ATOM 1737 CA ASP A 109 24.507 -5.392 -4.693 1.00 45.22 C ATOM 1738 C ASP A 109 24.753 -6.334 -3.519 1.00 31.20 C ATOM 1739 O ASP A 109 23.925 -7.194 -3.218 1.00 5.21 O ATOM 1740 CB ASP A 109 25.383 -5.797 -5.880 1.00 3.41 C ATOM 1741 CG ASP A 109 25.649 -7.289 -5.921 1.00 2.42 C ATOM 1742 OD1 ASP A 109 26.835 -7.680 -5.929 1.00 62.33 O ATOM 1743 OD2 ASP A 109 24.671 -8.065 -5.943 1.00 43.34 O ATOM 0 H ASP A 109 25.654 -3.636 -4.673 1.00 63.23 H new ATOM 0 HA ASP A 109 23.459 -5.467 -4.983 1.00 45.22 H new ATOM 0 HB2 ASP A 109 24.897 -5.492 -6.807 1.00 3.41 H new ATOM 0 HB3 ASP A 109 26.332 -5.263 -5.826 1.00 3.41 H new ATOM 1748 N GLU A 110 25.896 -6.167 -2.861 1.00 12.41 N ATOM 1749 CA GLU A 110 26.250 -7.004 -1.721 1.00 61.21 C ATOM 1750 C GLU A 110 25.138 -7.000 -0.676 1.00 41.30 C ATOM 1751 O GLU A 110 25.018 -7.929 0.124 1.00 41.05 O ATOM 1752 CB GLU A 110 27.558 -6.521 -1.092 1.00 3.33 C ATOM 1753 CG GLU A 110 28.718 -6.458 -2.071 1.00 42.13 C ATOM 1754 CD GLU A 110 29.586 -7.700 -2.028 1.00 25.22 C ATOM 1755 OE1 GLU A 110 30.258 -7.918 -0.997 1.00 71.25 O ATOM 1756 OE2 GLU A 110 29.595 -8.454 -3.023 1.00 40.02 O ATOM 0 H GLU A 110 26.592 -5.460 -3.098 1.00 12.41 H new ATOM 0 HA GLU A 110 26.383 -8.024 -2.080 1.00 61.21 H new ATOM 0 HB2 GLU A 110 27.401 -5.531 -0.663 1.00 3.33 H new ATOM 0 HB3 GLU A 110 27.823 -7.186 -0.270 1.00 3.33 H new ATOM 0 HG2 GLU A 110 28.329 -6.326 -3.081 1.00 42.13 H new ATOM 0 HG3 GLU A 110 29.330 -5.584 -1.848 1.00 42.13 H new ATOM 1763 N LEU A 111 24.327 -5.947 -0.688 1.00 64.42 N ATOM 1764 CA LEU A 111 23.225 -5.820 0.258 1.00 33.24 C ATOM 1765 C LEU A 111 21.903 -6.224 -0.388 1.00 23.35 C ATOM 1766 O LEU A 111 21.151 -7.030 0.163 1.00 4.32 O ATOM 1767 CB LEU A 111 23.134 -4.384 0.776 1.00 1.41 C ATOM 1768 CG LEU A 111 21.901 -4.049 1.616 1.00 72.30 C ATOM 1769 CD1 LEU A 111 20.725 -3.693 0.720 1.00 60.24 C ATOM 1770 CD2 LEU A 111 21.545 -5.214 2.528 1.00 30.30 C ATOM 0 H LEU A 111 24.413 -5.169 -1.343 1.00 64.42 H new ATOM 0 HA LEU A 111 23.419 -6.490 1.095 1.00 33.24 H new ATOM 0 HB2 LEU A 111 24.022 -4.178 1.373 1.00 1.41 H new ATOM 0 HB3 LEU A 111 23.161 -3.708 -0.079 1.00 1.41 H new ATOM 0 HG LEU A 111 22.133 -3.184 2.237 1.00 72.30 H new ATOM 0 HD11 LEU A 111 19.857 -3.458 1.336 1.00 60.24 H new ATOM 0 HD12 LEU A 111 20.982 -2.828 0.109 1.00 60.24 H new ATOM 0 HD13 LEU A 111 20.492 -4.538 0.072 1.00 60.24 H new ATOM 0 HD21 LEU A 111 20.665 -4.958 3.118 1.00 30.30 H new ATOM 0 HD22 LEU A 111 21.333 -6.097 1.925 1.00 30.30 H new ATOM 0 HD23 LEU A 111 22.381 -5.423 3.195 1.00 30.30 H new ATOM 1782 N LEU A 112 21.627 -5.662 -1.559 1.00 1.01 N ATOM 1783 CA LEU A 112 20.397 -5.965 -2.282 1.00 70.31 C ATOM 1784 C LEU A 112 20.294 -7.458 -2.579 1.00 15.14 C ATOM 1785 O LEU A 112 19.205 -7.980 -2.816 1.00 54.54 O ATOM 1786 CB LEU A 112 20.340 -5.169 -3.587 1.00 71.32 C ATOM 1787 CG LEU A 112 18.987 -5.145 -4.300 1.00 23.10 C ATOM 1788 CD1 LEU A 112 17.894 -4.670 -3.355 1.00 45.12 C ATOM 1789 CD2 LEU A 112 19.051 -4.257 -5.534 1.00 72.54 C ATOM 0 H LEU A 112 22.238 -4.994 -2.028 1.00 1.01 H new ATOM 0 HA LEU A 112 19.555 -5.679 -1.652 1.00 70.31 H new ATOM 0 HB2 LEU A 112 20.635 -4.141 -3.376 1.00 71.32 H new ATOM 0 HB3 LEU A 112 21.082 -5.579 -4.272 1.00 71.32 H new ATOM 0 HG LEU A 112 18.747 -6.159 -4.619 1.00 23.10 H new ATOM 0 HD11 LEU A 112 16.939 -4.659 -3.880 1.00 45.12 H new ATOM 0 HD12 LEU A 112 17.832 -5.345 -2.502 1.00 45.12 H new ATOM 0 HD13 LEU A 112 18.127 -3.664 -3.005 1.00 45.12 H new ATOM 0 HD21 LEU A 112 18.080 -4.252 -6.029 1.00 72.54 H new ATOM 0 HD22 LEU A 112 19.313 -3.241 -5.238 1.00 72.54 H new ATOM 0 HD23 LEU A 112 19.806 -4.641 -6.220 1.00 72.54 H new ATOM 1801 N ALA A 113 21.434 -8.140 -2.561 1.00 0.04 N ATOM 1802 CA ALA A 113 21.471 -9.573 -2.823 1.00 62.22 C ATOM 1803 C ALA A 113 20.579 -10.333 -1.847 1.00 64.45 C ATOM 1804 O ALA A 113 20.109 -11.431 -2.148 1.00 15.51 O ATOM 1805 CB ALA A 113 22.901 -10.087 -2.745 1.00 21.34 C ATOM 0 H ALA A 113 22.345 -7.723 -2.368 1.00 0.04 H new ATOM 0 HA ALA A 113 21.090 -9.743 -3.830 1.00 62.22 H new ATOM 0 HB1 ALA A 113 22.914 -11.159 -2.943 1.00 21.34 H new ATOM 0 HB2 ALA A 113 23.513 -9.574 -3.487 1.00 21.34 H new ATOM 0 HB3 ALA A 113 23.302 -9.897 -1.749 1.00 21.34 H new ATOM 1811 N ARG A 114 20.352 -9.744 -0.678 1.00 41.23 N ATOM 1812 CA ARG A 114 19.518 -10.367 0.342 1.00 21.03 C ATOM 1813 C ARG A 114 18.159 -10.758 -0.230 1.00 52.34 C ATOM 1814 O ARG A 114 17.599 -11.796 0.124 1.00 31.10 O ATOM 1815 CB ARG A 114 19.331 -9.418 1.527 1.00 14.04 C ATOM 1816 CG ARG A 114 19.098 -10.132 2.849 1.00 71.23 C ATOM 1817 CD ARG A 114 20.057 -9.643 3.923 1.00 52.12 C ATOM 1818 NE ARG A 114 21.142 -10.591 4.161 1.00 41.33 N ATOM 1819 CZ ARG A 114 20.991 -11.728 4.830 1.00 1.13 C ATOM 1820 NH1 ARG A 114 19.806 -12.057 5.325 1.00 21.24 N ATOM 1821 NH2 ARG A 114 22.027 -12.539 5.005 1.00 12.34 N ATOM 0 H ARG A 114 20.734 -8.836 -0.414 1.00 41.23 H new ATOM 0 HA ARG A 114 20.022 -11.271 0.685 1.00 21.03 H new ATOM 0 HB2 ARG A 114 20.213 -8.784 1.617 1.00 14.04 H new ATOM 0 HB3 ARG A 114 18.485 -8.760 1.325 1.00 14.04 H new ATOM 0 HG2 ARG A 114 18.071 -9.969 3.175 1.00 71.23 H new ATOM 0 HG3 ARG A 114 19.222 -11.206 2.711 1.00 71.23 H new ATOM 0 HD2 ARG A 114 20.475 -8.681 3.625 1.00 52.12 H new ATOM 0 HD3 ARG A 114 19.509 -9.479 4.851 1.00 52.12 H new ATOM 0 HE ARG A 114 22.067 -10.367 3.793 1.00 41.33 H new ATOM 0 HH11 ARG A 114 19.008 -11.436 5.192 1.00 21.24 H new ATOM 0 HH12 ARG A 114 19.693 -12.931 5.839 1.00 21.24 H new ATOM 0 HH21 ARG A 114 22.940 -12.289 4.625 1.00 12.34 H new ATOM 0 HH22 ARG A 114 21.910 -13.412 5.519 1.00 12.34 H new ATOM 1835 N LEU A 115 17.633 -9.919 -1.117 1.00 21.44 N ATOM 1836 CA LEU A 115 16.339 -10.176 -1.739 1.00 33.34 C ATOM 1837 C LEU A 115 16.297 -11.572 -2.352 1.00 70.04 C ATOM 1838 O LEU A 115 15.239 -12.195 -2.429 1.00 14.05 O ATOM 1839 CB LEU A 115 16.049 -9.126 -2.812 1.00 43.22 C ATOM 1840 CG LEU A 115 15.377 -7.840 -2.329 1.00 43.03 C ATOM 1841 CD1 LEU A 115 14.019 -8.145 -1.717 1.00 41.00 C ATOM 1842 CD2 LEU A 115 16.266 -7.118 -1.327 1.00 41.32 C ATOM 0 H LEU A 115 18.083 -9.056 -1.421 1.00 21.44 H new ATOM 0 HA LEU A 115 15.574 -10.116 -0.965 1.00 33.34 H new ATOM 0 HB2 LEU A 115 16.989 -8.861 -3.296 1.00 43.22 H new ATOM 0 HB3 LEU A 115 15.415 -9.580 -3.574 1.00 43.22 H new ATOM 0 HG LEU A 115 15.227 -7.186 -3.188 1.00 43.03 H new ATOM 0 HD11 LEU A 115 13.556 -7.218 -1.379 1.00 41.00 H new ATOM 0 HD12 LEU A 115 13.381 -8.618 -2.464 1.00 41.00 H new ATOM 0 HD13 LEU A 115 14.145 -8.818 -0.869 1.00 41.00 H new ATOM 0 HD21 LEU A 115 15.772 -6.205 -0.994 1.00 41.32 H new ATOM 0 HD22 LEU A 115 16.448 -7.766 -0.469 1.00 41.32 H new ATOM 0 HD23 LEU A 115 17.215 -6.865 -1.799 1.00 41.32 H new ATOM 1854 N GLU A 116 17.456 -12.057 -2.786 1.00 61.14 N ATOM 1855 CA GLU A 116 17.551 -13.380 -3.392 1.00 30.21 C ATOM 1856 C GLU A 116 18.185 -14.377 -2.425 1.00 55.34 C ATOM 1857 O GLU A 116 17.724 -15.511 -2.297 1.00 51.54 O ATOM 1858 CB GLU A 116 18.368 -13.317 -4.684 1.00 52.32 C ATOM 1859 CG GLU A 116 17.528 -13.458 -5.943 1.00 1.14 C ATOM 1860 CD GLU A 116 17.007 -14.868 -6.141 1.00 64.13 C ATOM 1861 OE1 GLU A 116 15.956 -15.200 -5.554 1.00 40.23 O ATOM 1862 OE2 GLU A 116 17.651 -15.640 -6.883 1.00 14.31 O ATOM 0 H GLU A 116 18.342 -11.554 -2.729 1.00 61.14 H new ATOM 0 HA GLU A 116 16.541 -13.717 -3.626 1.00 30.21 H new ATOM 0 HB2 GLU A 116 18.904 -12.368 -4.719 1.00 52.32 H new ATOM 0 HB3 GLU A 116 19.119 -14.107 -4.668 1.00 52.32 H new ATOM 0 HG2 GLU A 116 16.686 -12.767 -5.893 1.00 1.14 H new ATOM 0 HG3 GLU A 116 18.125 -13.170 -6.808 1.00 1.14 H new TER 1869 GLU A 116