USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 862 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 108 LYS NZ :NH3+ -120:sc= -1.71! (180deg=-1.95) USER MOD Set 1.2: A 124 THR OG1 : rot 15:sc= -1.64! USER MOD Set 2.1: A 94 THR OG1 : rot -144:sc= -1.35! USER MOD Set 2.2: A 96 TYR OH : rot -85:sc= 0.438 USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 74 ASN : amide:sc= 0 K(o=0,f=-0.81!) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= -0.0374 (180deg=-0.362) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -170:sc= -0.426 USER MOD Single : A 10 THR OG1 : rot -30:sc= 0.297 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 107:sc= 0.681 USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.178 USER MOD Single : A 17 SER OG : rot -23:sc= 0.194 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.0373 (180deg=-0.425) USER MOD Single : A 43 HIS : no HD1:sc= 0.0528 K(o=0.053,f=-1.9!) USER MOD Single : A 45 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -22:sc= 0.191 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 56 TYR OH : rot -127:sc= 0.00401 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.5) USER MOD Single : A 69 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.1!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.376 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00459 K(o=-0.0046,f=-1.7!) USER MOD Single : A 79 ASN : amide:sc= -2.43! C(o=-2.4!,f=-4.9!) USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= 1.32 (180deg=0.117) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -9.49! C(o=-9.5!,f=-1.8!) USER MOD Single : A 88 MET CE :methyl 133:sc= -0.0961 (180deg=-0.781) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.324 K(o=-0.32,f=-3.4!) USER MOD Single : A 93 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.5!) USER MOD Single : A 97 SER OG : rot 32:sc= -2.33 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= -4.53! (180deg=-5.28!) USER MOD Single : A 117 ASN : amide:sc= -0.349 K(o=-0.35,f=-3!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.560 12.030 -5.061 1.00 0.00 N ATOM 19 CA LYS A 2 116.174 10.640 -4.688 1.00 0.00 C ATOM 20 C LYS A 2 116.437 10.423 -3.194 1.00 0.00 C ATOM 21 O LYS A 2 117.300 11.047 -2.609 1.00 0.00 O ATOM 22 CB LYS A 2 116.993 9.642 -5.511 1.00 0.00 C ATOM 23 CG LYS A 2 116.564 9.722 -6.980 1.00 0.00 C ATOM 24 CD LYS A 2 117.382 8.729 -7.811 1.00 0.00 C ATOM 25 CE LYS A 2 116.882 8.739 -9.258 1.00 0.00 C ATOM 26 NZ LYS A 2 117.130 10.078 -9.863 1.00 0.00 N ATOM 0 HA LYS A 2 115.114 10.487 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.056 9.863 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 2 116.844 8.631 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.501 9.499 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 2 116.710 10.734 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 2 118.439 8.995 -7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.293 7.727 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.392 7.968 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 2 115.817 8.507 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 117.048 10.012 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 116.429 10.757 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.086 10.401 -9.611 1.00 0.00 H new ATOM 40 N VAL A 3 115.692 9.552 -2.571 1.00 0.00 N ATOM 41 CA VAL A 3 115.884 9.299 -1.114 1.00 0.00 C ATOM 42 C VAL A 3 116.973 8.243 -0.904 1.00 0.00 C ATOM 43 O VAL A 3 117.011 7.233 -1.577 1.00 0.00 O ATOM 44 CB VAL A 3 114.573 8.786 -0.516 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.798 8.379 0.942 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.516 9.892 -0.581 1.00 0.00 C ATOM 0 H VAL A 3 114.954 9.001 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 3 116.182 10.227 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 3 114.230 7.921 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.863 8.014 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.550 7.591 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.142 9.242 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.581 9.527 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.860 10.757 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.354 10.179 -1.620 1.00 0.00 H new ATOM 56 N LYS A 4 117.859 8.469 0.028 1.00 0.00 N ATOM 57 CA LYS A 4 118.930 7.463 0.275 1.00 0.00 C ATOM 58 C LYS A 4 118.301 6.233 0.930 1.00 0.00 C ATOM 59 O LYS A 4 117.574 6.332 1.907 1.00 0.00 O ATOM 60 CB LYS A 4 119.997 8.048 1.206 1.00 0.00 C ATOM 61 CG LYS A 4 120.597 9.312 0.586 1.00 0.00 C ATOM 62 CD LYS A 4 121.341 8.957 -0.703 1.00 0.00 C ATOM 63 CE LYS A 4 122.279 10.101 -1.084 1.00 0.00 C ATOM 64 NZ LYS A 4 123.047 9.725 -2.305 1.00 0.00 N ATOM 0 H LYS A 4 117.888 9.297 0.623 1.00 0.00 H new ATOM 0 HA LYS A 4 119.401 7.189 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.557 8.282 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.781 7.312 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.808 10.033 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.280 9.785 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.910 8.037 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.629 8.774 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.706 11.010 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.963 10.315 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 123.686 10.503 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.604 8.868 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.387 9.542 -3.088 1.00 0.00 H new ATOM 78 N GLY A 5 118.570 5.071 0.400 1.00 0.00 N ATOM 79 CA GLY A 5 117.982 3.846 0.994 1.00 0.00 C ATOM 80 C GLY A 5 118.186 2.662 0.055 1.00 0.00 C ATOM 81 O GLY A 5 119.003 2.707 -0.841 1.00 0.00 O ATOM 0 H GLY A 5 119.168 4.921 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 5 118.447 3.640 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.918 3.996 1.178 1.00 0.00 H new ATOM 85 N CYS A 6 117.452 1.598 0.257 1.00 0.00 N ATOM 86 CA CYS A 6 117.607 0.400 -0.622 1.00 0.00 C ATOM 87 C CYS A 6 116.242 -0.038 -1.143 1.00 0.00 C ATOM 88 O CYS A 6 115.281 -0.120 -0.406 1.00 0.00 O ATOM 89 CB CYS A 6 118.220 -0.736 0.192 1.00 0.00 C ATOM 90 SG CYS A 6 119.032 -1.909 -0.922 1.00 0.00 S ATOM 0 H CYS A 6 116.752 1.507 0.993 1.00 0.00 H new ATOM 0 HA CYS A 6 118.252 0.648 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.941 -0.338 0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.446 -1.242 0.769 1.00 0.00 H new ATOM 95 N ASP A 7 116.155 -0.336 -2.413 1.00 0.00 N ATOM 96 CA ASP A 7 114.857 -0.791 -2.995 1.00 0.00 C ATOM 97 C ASP A 7 114.992 -2.243 -3.459 1.00 0.00 C ATOM 98 O ASP A 7 115.662 -2.535 -4.429 1.00 0.00 O ATOM 99 CB ASP A 7 114.495 0.096 -4.186 1.00 0.00 C ATOM 100 CG ASP A 7 113.030 -0.130 -4.563 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.507 -1.180 -4.224 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.458 0.750 -5.182 1.00 0.00 O ATOM 0 H ASP A 7 116.930 -0.284 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 7 114.073 -0.721 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.660 1.144 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.140 -0.135 -5.034 1.00 0.00 H new ATOM 107 N PHE A 8 114.358 -3.158 -2.775 1.00 0.00 N ATOM 108 CA PHE A 8 114.449 -4.589 -3.181 1.00 0.00 C ATOM 109 C PHE A 8 113.331 -4.890 -4.181 1.00 0.00 C ATOM 110 O PHE A 8 113.141 -6.016 -4.599 1.00 0.00 O ATOM 111 CB PHE A 8 114.283 -5.484 -1.950 1.00 0.00 C ATOM 112 CG PHE A 8 115.382 -5.196 -0.957 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.667 -5.714 -1.160 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.115 -4.412 0.174 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.684 -5.449 -0.235 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.133 -4.148 1.099 1.00 0.00 C ATOM 117 CZ PHE A 8 117.417 -4.666 0.894 1.00 0.00 C ATOM 0 H PHE A 8 113.782 -2.976 -1.953 1.00 0.00 H new ATOM 0 HA PHE A 8 115.420 -4.782 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.310 -5.309 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.312 -6.533 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.874 -6.318 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.124 -4.012 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.675 -5.849 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.927 -3.545 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.202 -4.461 1.607 1.00 0.00 H new ATOM 127 N THR A 9 112.572 -3.892 -4.545 1.00 0.00 N ATOM 128 CA THR A 9 111.448 -4.114 -5.495 1.00 0.00 C ATOM 129 C THR A 9 111.863 -3.732 -6.919 1.00 0.00 C ATOM 130 O THR A 9 111.254 -4.158 -7.881 1.00 0.00 O ATOM 131 CB THR A 9 110.261 -3.246 -5.066 1.00 0.00 C ATOM 132 OG1 THR A 9 109.938 -3.526 -3.710 1.00 0.00 O ATOM 133 CG2 THR A 9 109.054 -3.550 -5.952 1.00 0.00 C ATOM 0 H THR A 9 112.683 -2.930 -4.224 1.00 0.00 H new ATOM 0 HA THR A 9 111.173 -5.169 -5.483 1.00 0.00 H new ATOM 0 HB THR A 9 110.526 -2.194 -5.169 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.089 -3.095 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.211 -2.931 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.302 -3.334 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.786 -4.602 -5.854 1.00 0.00 H new ATOM 141 N THR A 10 112.878 -2.926 -7.072 1.00 0.00 N ATOM 142 CA THR A 10 113.293 -2.528 -8.448 1.00 0.00 C ATOM 143 C THR A 10 114.763 -2.097 -8.455 1.00 0.00 C ATOM 144 O THR A 10 115.171 -1.241 -7.696 1.00 0.00 O ATOM 145 CB THR A 10 112.422 -1.360 -8.919 1.00 0.00 C ATOM 146 OG1 THR A 10 111.057 -1.667 -8.682 1.00 0.00 O ATOM 147 CG2 THR A 10 112.641 -1.124 -10.415 1.00 0.00 C ATOM 0 H THR A 10 113.433 -2.529 -6.313 1.00 0.00 H new ATOM 0 HA THR A 10 113.170 -3.380 -9.117 1.00 0.00 H new ATOM 0 HB THR A 10 112.695 -0.459 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 10 110.923 -2.636 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.020 -0.292 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.690 -0.889 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.370 -2.023 -10.969 1.00 0.00 H new ATOM 155 N SER A 11 115.557 -2.681 -9.315 1.00 0.00 N ATOM 156 CA SER A 11 116.994 -2.294 -9.375 1.00 0.00 C ATOM 157 C SER A 11 117.091 -0.803 -9.690 1.00 0.00 C ATOM 158 O SER A 11 118.003 -0.125 -9.260 1.00 0.00 O ATOM 159 CB SER A 11 117.694 -3.095 -10.470 1.00 0.00 C ATOM 160 OG SER A 11 119.093 -3.117 -10.218 1.00 0.00 O ATOM 0 H SER A 11 115.272 -3.405 -9.974 1.00 0.00 H new ATOM 0 HA SER A 11 117.474 -2.502 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.302 -4.112 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.496 -2.649 -11.445 1.00 0.00 H new ATOM 0 HG SER A 11 119.544 -3.632 -10.919 1.00 0.00 H new ATOM 166 N GLU A 12 116.152 -0.293 -10.441 1.00 0.00 N ATOM 167 CA GLU A 12 116.171 1.156 -10.794 1.00 0.00 C ATOM 168 C GLU A 12 114.985 1.844 -10.114 1.00 0.00 C ATOM 169 O GLU A 12 114.004 2.181 -10.747 1.00 0.00 O ATOM 170 CB GLU A 12 116.046 1.308 -12.309 1.00 0.00 C ATOM 171 CG GLU A 12 117.304 0.761 -12.986 1.00 0.00 C ATOM 172 CD GLU A 12 117.143 0.850 -14.505 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.116 1.338 -14.945 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.051 0.429 -15.202 1.00 0.00 O ATOM 0 H GLU A 12 115.369 -0.820 -10.827 1.00 0.00 H new ATOM 0 HA GLU A 12 117.104 1.610 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.166 0.773 -12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.908 2.358 -12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 12 118.178 1.329 -12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.471 -0.274 -12.687 1.00 0.00 H new ATOM 181 N SER A 13 115.063 2.042 -8.828 1.00 0.00 N ATOM 182 CA SER A 13 113.934 2.694 -8.107 1.00 0.00 C ATOM 183 C SER A 13 113.789 4.148 -8.554 1.00 0.00 C ATOM 184 O SER A 13 114.752 4.812 -8.879 1.00 0.00 O ATOM 185 CB SER A 13 114.203 2.656 -6.602 1.00 0.00 C ATOM 186 OG SER A 13 113.121 3.276 -5.917 1.00 0.00 O ATOM 0 H SER A 13 115.858 1.781 -8.245 1.00 0.00 H new ATOM 0 HA SER A 13 113.013 2.157 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 13 114.318 1.625 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 13 115.136 3.171 -6.374 1.00 0.00 H new ATOM 0 HG SER A 13 112.581 2.591 -5.470 1.00 0.00 H new ATOM 192 N THR A 14 112.587 4.648 -8.546 1.00 0.00 N ATOM 193 CA THR A 14 112.361 6.064 -8.945 1.00 0.00 C ATOM 194 C THR A 14 112.262 6.912 -7.678 1.00 0.00 C ATOM 195 O THR A 14 112.074 8.111 -7.732 1.00 0.00 O ATOM 196 CB THR A 14 111.053 6.172 -9.734 1.00 0.00 C ATOM 197 OG1 THR A 14 110.979 7.448 -10.355 1.00 0.00 O ATOM 198 CG2 THR A 14 109.864 5.996 -8.785 1.00 0.00 C ATOM 0 H THR A 14 111.747 4.135 -8.279 1.00 0.00 H new ATOM 0 HA THR A 14 113.183 6.413 -9.569 1.00 0.00 H new ATOM 0 HB THR A 14 111.025 5.394 -10.496 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.275 8.137 -9.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 108.934 6.073 -9.349 1.00 0.00 H new ATOM 0 HG22 THR A 14 109.920 5.017 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.891 6.773 -8.021 1.00 0.00 H new ATOM 206 N ILE A 15 112.396 6.289 -6.536 1.00 0.00 N ATOM 207 CA ILE A 15 112.316 7.038 -5.249 1.00 0.00 C ATOM 208 C ILE A 15 113.586 6.811 -4.424 1.00 0.00 C ATOM 209 O ILE A 15 113.895 7.582 -3.539 1.00 0.00 O ATOM 210 CB ILE A 15 111.095 6.560 -4.463 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.010 5.034 -4.536 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.828 7.168 -5.064 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.085 4.520 -3.432 1.00 0.00 C ATOM 0 H ILE A 15 112.558 5.287 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 15 112.223 8.104 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 15 111.188 6.872 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.634 4.727 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.003 4.598 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 15 108.959 6.826 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 15 109.887 8.255 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.733 6.857 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.025 3.433 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.480 4.815 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.090 4.945 -3.564 1.00 0.00 H new ATOM 225 N PHE A 16 114.316 5.756 -4.694 1.00 0.00 N ATOM 226 CA PHE A 16 115.560 5.481 -3.904 1.00 0.00 C ATOM 227 C PHE A 16 116.777 5.471 -4.831 1.00 0.00 C ATOM 228 O PHE A 16 116.736 4.944 -5.925 1.00 0.00 O ATOM 229 CB PHE A 16 115.438 4.123 -3.207 1.00 0.00 C ATOM 230 CG PHE A 16 114.479 4.233 -2.044 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.849 4.942 -0.894 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.219 3.629 -2.117 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.958 5.045 0.182 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.330 3.732 -1.040 1.00 0.00 C ATOM 235 CZ PHE A 16 112.700 4.439 0.109 1.00 0.00 C ATOM 0 H PHE A 16 114.106 5.075 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 16 115.686 6.264 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.084 3.371 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.416 3.795 -2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.821 5.409 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.932 3.083 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.243 5.593 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.358 3.265 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 16 112.014 4.517 0.940 1.00 0.00 H new ATOM 245 N SER A 17 117.853 6.067 -4.399 1.00 0.00 N ATOM 246 CA SER A 17 119.083 6.119 -5.243 1.00 0.00 C ATOM 247 C SER A 17 119.667 4.717 -5.441 1.00 0.00 C ATOM 248 O SER A 17 120.480 4.506 -6.317 1.00 0.00 O ATOM 249 CB SER A 17 120.127 7.000 -4.560 1.00 0.00 C ATOM 250 OG SER A 17 121.276 7.095 -5.391 1.00 0.00 O ATOM 0 H SER A 17 117.935 6.524 -3.491 1.00 0.00 H new ATOM 0 HA SER A 17 118.818 6.531 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.716 7.992 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.398 6.579 -3.592 1.00 0.00 H new ATOM 0 HG SER A 17 121.303 6.328 -6.001 1.00 0.00 H new ATOM 256 N LYS A 18 119.279 3.761 -4.636 1.00 0.00 N ATOM 257 CA LYS A 18 119.846 2.383 -4.796 1.00 0.00 C ATOM 258 C LYS A 18 118.734 1.336 -4.772 1.00 0.00 C ATOM 259 O LYS A 18 117.765 1.455 -4.055 1.00 0.00 O ATOM 260 CB LYS A 18 120.824 2.111 -3.652 1.00 0.00 C ATOM 261 CG LYS A 18 121.991 3.101 -3.720 1.00 0.00 C ATOM 262 CD LYS A 18 122.879 2.772 -4.924 1.00 0.00 C ATOM 263 CE LYS A 18 124.262 3.387 -4.722 1.00 0.00 C ATOM 264 NZ LYS A 18 125.098 2.465 -3.902 1.00 0.00 N ATOM 0 H LYS A 18 118.601 3.870 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 18 120.360 2.321 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.312 2.203 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.198 1.089 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.612 4.120 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.575 3.053 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.964 1.692 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.428 3.158 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.737 3.566 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.174 4.354 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.041 2.882 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 124.646 2.316 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.192 1.553 -4.392 1.00 0.00 H new ATOM 278 N GLY A 19 118.880 0.299 -5.554 1.00 0.00 N ATOM 279 CA GLY A 19 117.841 -0.770 -5.581 1.00 0.00 C ATOM 280 C GLY A 19 118.446 -2.061 -6.138 1.00 0.00 C ATOM 281 O GLY A 19 119.560 -2.076 -6.618 1.00 0.00 O ATOM 0 H GLY A 19 119.675 0.147 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.455 -0.941 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 19 116.998 -0.456 -6.197 1.00 0.00 H new ATOM 285 N TYR A 20 117.717 -3.144 -6.076 1.00 0.00 N ATOM 286 CA TYR A 20 118.239 -4.441 -6.600 1.00 0.00 C ATOM 287 C TYR A 20 117.199 -5.080 -7.523 1.00 0.00 C ATOM 288 O TYR A 20 116.046 -4.698 -7.536 1.00 0.00 O ATOM 289 CB TYR A 20 118.520 -5.388 -5.431 1.00 0.00 C ATOM 290 CG TYR A 20 119.784 -4.968 -4.721 1.00 0.00 C ATOM 291 CD1 TYR A 20 119.773 -3.862 -3.865 1.00 0.00 C ATOM 292 CD2 TYR A 20 120.968 -5.691 -4.917 1.00 0.00 C ATOM 293 CE1 TYR A 20 120.944 -3.480 -3.202 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.139 -5.306 -4.254 1.00 0.00 C ATOM 295 CZ TYR A 20 122.128 -4.200 -3.398 1.00 0.00 C ATOM 296 OH TYR A 20 123.281 -3.822 -2.741 1.00 0.00 O ATOM 0 H TYR A 20 116.777 -3.186 -5.683 1.00 0.00 H new ATOM 0 HA TYR A 20 119.158 -4.259 -7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.681 -5.379 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.620 -6.410 -5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 20 118.861 -3.303 -3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 20 120.977 -6.544 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 20 120.934 -2.628 -2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.052 -5.863 -4.404 1.00 0.00 H new ATOM 0 HH TYR A 20 124.011 -4.427 -2.987 1.00 0.00 H new ATOM 527 N ILE A 36 121.029 -10.368 2.151 1.00 0.00 N ATOM 528 CA ILE A 36 121.382 -9.160 1.356 1.00 0.00 C ATOM 529 C ILE A 36 121.378 -7.949 2.281 1.00 0.00 C ATOM 530 O ILE A 36 120.379 -7.642 2.898 1.00 0.00 O ATOM 531 CB ILE A 36 120.352 -8.954 0.244 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.291 -10.205 -0.639 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.750 -7.747 -0.607 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.690 -10.530 -1.172 1.00 0.00 C ATOM 0 HA ILE A 36 122.368 -9.287 0.909 1.00 0.00 H new ATOM 0 HB ILE A 36 119.373 -8.777 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.905 -11.048 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.604 -10.043 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.015 -7.602 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.788 -6.856 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.731 -7.921 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.643 -11.420 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.059 -9.690 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.365 -10.711 -0.336 1.00 0.00 H new ATOM 546 N VAL A 37 122.488 -7.266 2.395 1.00 0.00 N ATOM 547 CA VAL A 37 122.547 -6.082 3.302 1.00 0.00 C ATOM 548 C VAL A 37 122.805 -4.814 2.494 1.00 0.00 C ATOM 549 O VAL A 37 123.741 -4.733 1.722 1.00 0.00 O ATOM 550 CB VAL A 37 123.679 -6.272 4.310 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.922 -4.956 5.053 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.289 -7.361 5.316 1.00 0.00 C ATOM 0 H VAL A 37 123.354 -7.477 1.900 1.00 0.00 H new ATOM 0 HA VAL A 37 121.595 -5.987 3.824 1.00 0.00 H new ATOM 0 HB VAL A 37 124.588 -6.569 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.729 -5.088 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.197 -4.180 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 37 123.013 -4.661 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.096 -7.497 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.381 -7.063 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.112 -8.298 4.788 1.00 0.00 H new ATOM 562 N CYS A 38 121.994 -3.810 2.686 1.00 0.00 N ATOM 563 CA CYS A 38 122.210 -2.534 1.952 1.00 0.00 C ATOM 564 C CYS A 38 122.867 -1.533 2.905 1.00 0.00 C ATOM 565 O CYS A 38 122.213 -0.950 3.748 1.00 0.00 O ATOM 566 CB CYS A 38 120.868 -1.973 1.485 1.00 0.00 C ATOM 567 SG CYS A 38 120.096 -3.111 0.307 1.00 0.00 S ATOM 0 H CYS A 38 121.193 -3.819 3.318 1.00 0.00 H new ATOM 0 HA CYS A 38 122.846 -2.709 1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.210 -1.822 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 38 121.014 -0.999 1.019 1.00 0.00 H new ATOM 572 N THR A 39 124.151 -1.333 2.786 1.00 0.00 N ATOM 573 CA THR A 39 124.834 -0.377 3.697 1.00 0.00 C ATOM 574 C THR A 39 124.897 1.000 3.043 1.00 0.00 C ATOM 575 O THR A 39 125.483 1.176 1.991 1.00 0.00 O ATOM 576 CB THR A 39 126.256 -0.875 3.981 1.00 0.00 C ATOM 577 OG1 THR A 39 126.194 -2.108 4.686 1.00 0.00 O ATOM 578 CG2 THR A 39 127.003 0.160 4.825 1.00 0.00 C ATOM 0 H THR A 39 124.753 -1.789 2.100 1.00 0.00 H new ATOM 0 HA THR A 39 124.278 -0.306 4.632 1.00 0.00 H new ATOM 0 HB THR A 39 126.784 -1.021 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.103 -2.428 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 39 128.014 -0.195 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.052 1.105 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.477 0.309 5.768 1.00 0.00 H new ATOM 586 N VAL A 40 124.308 1.982 3.669 1.00 0.00 N ATOM 587 CA VAL A 40 124.343 3.360 3.094 1.00 0.00 C ATOM 588 C VAL A 40 124.520 4.371 4.227 1.00 0.00 C ATOM 589 O VAL A 40 124.139 4.125 5.354 1.00 0.00 O ATOM 590 CB VAL A 40 123.033 3.638 2.352 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.933 2.720 1.131 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.851 3.370 3.285 1.00 0.00 C ATOM 0 H VAL A 40 123.805 1.892 4.552 1.00 0.00 H new ATOM 0 HA VAL A 40 125.175 3.447 2.395 1.00 0.00 H new ATOM 0 HB VAL A 40 123.014 4.679 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.000 2.918 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.775 2.908 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.953 1.680 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.918 3.568 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.871 2.329 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.920 4.022 4.156 1.00 0.00 H new ATOM 602 N LYS A 41 125.081 5.514 3.942 1.00 0.00 N ATOM 603 CA LYS A 41 125.267 6.536 5.010 1.00 0.00 C ATOM 604 C LYS A 41 124.160 7.587 4.909 1.00 0.00 C ATOM 605 O LYS A 41 123.834 8.061 3.838 1.00 0.00 O ATOM 606 CB LYS A 41 126.629 7.207 4.842 1.00 0.00 C ATOM 607 CG LYS A 41 127.736 6.192 5.129 1.00 0.00 C ATOM 608 CD LYS A 41 129.101 6.859 4.954 1.00 0.00 C ATOM 609 CE LYS A 41 130.205 5.869 5.329 1.00 0.00 C ATOM 610 NZ LYS A 41 130.163 4.704 4.400 1.00 0.00 N ATOM 0 H LYS A 41 125.418 5.784 3.018 1.00 0.00 H new ATOM 0 HA LYS A 41 125.220 6.054 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.732 7.597 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.714 8.056 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.636 5.806 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.647 5.341 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.227 7.187 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.166 7.748 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 41 131.179 6.356 5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.073 5.533 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 131.061 4.182 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 129.380 4.075 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 130.019 5.041 3.427 1.00 0.00 H new ATOM 624 N ALA A 42 123.577 7.951 6.017 1.00 0.00 N ATOM 625 CA ALA A 42 122.485 8.968 5.984 1.00 0.00 C ATOM 626 C ALA A 42 123.061 10.348 6.305 1.00 0.00 C ATOM 627 O ALA A 42 124.121 10.467 6.886 1.00 0.00 O ATOM 628 CB ALA A 42 121.423 8.604 7.019 1.00 0.00 C ATOM 0 H ALA A 42 123.808 7.590 6.943 1.00 0.00 H new ATOM 0 HA ALA A 42 122.035 8.987 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.624 9.345 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.012 7.621 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.873 8.585 8.011 1.00 0.00 H new ATOM 634 N HIS A 43 122.370 11.395 5.932 1.00 0.00 N ATOM 635 CA HIS A 43 122.880 12.768 6.216 1.00 0.00 C ATOM 636 C HIS A 43 121.752 13.619 6.804 1.00 0.00 C ATOM 637 O HIS A 43 120.587 13.404 6.533 1.00 0.00 O ATOM 638 CB HIS A 43 123.380 13.406 4.916 1.00 0.00 C ATOM 639 CG HIS A 43 124.346 14.510 5.240 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.939 15.829 5.389 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.703 14.509 5.443 1.00 0.00 C ATOM 642 CE1 HIS A 43 125.034 16.561 5.670 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.132 15.803 5.713 1.00 0.00 N ATOM 0 H HIS A 43 121.475 11.357 5.443 1.00 0.00 H new ATOM 0 HA HIS A 43 123.701 12.711 6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.865 12.655 4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.539 13.800 4.345 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.339 13.637 5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 43 125.025 17.628 5.839 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.086 16.109 5.904 1.00 0.00 H new ATOM 652 N ALA A 44 122.091 14.578 7.620 1.00 0.00 N ATOM 653 CA ALA A 44 121.045 15.440 8.246 1.00 0.00 C ATOM 654 C ALA A 44 120.122 16.002 7.165 1.00 0.00 C ATOM 655 O ALA A 44 118.993 16.366 7.431 1.00 0.00 O ATOM 656 CB ALA A 44 121.723 16.594 8.989 1.00 0.00 C ATOM 0 H ALA A 44 123.050 14.804 7.882 1.00 0.00 H new ATOM 0 HA ALA A 44 120.456 14.846 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.964 17.227 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.378 16.194 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.311 17.184 8.286 1.00 0.00 H new ATOM 662 N ASN A 45 120.592 16.090 5.953 1.00 0.00 N ATOM 663 CA ASN A 45 119.741 16.637 4.859 1.00 0.00 C ATOM 664 C ASN A 45 119.236 15.494 3.977 1.00 0.00 C ATOM 665 O ASN A 45 118.218 15.604 3.324 1.00 0.00 O ATOM 666 CB ASN A 45 120.567 17.605 4.009 1.00 0.00 C ATOM 667 CG ASN A 45 120.863 18.871 4.815 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.219 19.138 5.809 1.00 0.00 O ATOM 669 ND2 ASN A 45 121.816 19.673 4.420 1.00 0.00 N ATOM 0 H ASN A 45 121.530 15.806 5.671 1.00 0.00 H new ATOM 0 HA ASN A 45 118.890 17.162 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.499 17.131 3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.024 17.860 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.018 20.523 4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.357 19.449 3.585 1.00 0.00 H new ATOM 676 N ASP A 46 119.956 14.405 3.934 1.00 0.00 N ATOM 677 CA ASP A 46 119.535 13.265 3.074 1.00 0.00 C ATOM 678 C ASP A 46 118.325 12.562 3.694 1.00 0.00 C ATOM 679 O ASP A 46 118.301 12.274 4.874 1.00 0.00 O ATOM 680 CB ASP A 46 120.690 12.269 2.962 1.00 0.00 C ATOM 681 CG ASP A 46 121.735 12.801 1.978 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.469 13.811 1.347 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.786 12.189 1.871 1.00 0.00 O ATOM 0 H ASP A 46 120.818 14.257 4.458 1.00 0.00 H new ATOM 0 HA ASP A 46 119.266 13.640 2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.144 12.112 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.318 11.302 2.625 1.00 0.00 H new ATOM 688 N LEU A 47 117.331 12.259 2.903 1.00 0.00 N ATOM 689 CA LEU A 47 116.138 11.550 3.445 1.00 0.00 C ATOM 690 C LEU A 47 116.465 10.065 3.549 1.00 0.00 C ATOM 691 O LEU A 47 117.218 9.539 2.753 1.00 0.00 O ATOM 692 CB LEU A 47 114.946 11.745 2.505 1.00 0.00 C ATOM 693 CG LEU A 47 114.499 13.210 2.529 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.512 13.457 1.387 1.00 0.00 C ATOM 695 CD2 LEU A 47 113.817 13.520 3.864 1.00 0.00 C ATOM 0 H LEU A 47 117.294 12.472 1.906 1.00 0.00 H new ATOM 0 HA LEU A 47 115.883 11.950 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.220 11.456 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.122 11.099 2.809 1.00 0.00 H new ATOM 0 HG LEU A 47 115.369 13.855 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.192 14.499 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.995 13.239 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.644 12.809 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.500 14.563 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 47 112.947 12.875 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.517 13.343 4.680 1.00 0.00 H new ATOM 707 N ILE A 48 115.908 9.375 4.517 1.00 0.00 N ATOM 708 CA ILE A 48 116.203 7.914 4.652 1.00 0.00 C ATOM 709 C ILE A 48 114.910 7.103 4.539 1.00 0.00 C ATOM 710 O ILE A 48 113.862 7.497 5.016 1.00 0.00 O ATOM 711 CB ILE A 48 116.846 7.658 6.018 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.904 8.130 7.130 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.166 8.426 6.114 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.449 7.688 8.487 1.00 0.00 C ATOM 0 H ILE A 48 115.268 9.757 5.213 1.00 0.00 H new ATOM 0 HA ILE A 48 116.883 7.609 3.856 1.00 0.00 H new ATOM 0 HB ILE A 48 117.034 6.590 6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.807 9.215 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.907 7.717 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.623 8.243 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.841 8.090 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 48 117.976 9.493 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.777 8.025 9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.523 6.601 8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.437 8.122 8.641 1.00 0.00 H new ATOM 726 N GLY A 49 114.986 5.966 3.904 1.00 0.00 N ATOM 727 CA GLY A 49 113.764 5.112 3.758 1.00 0.00 C ATOM 728 C GLY A 49 114.106 3.875 2.929 1.00 0.00 C ATOM 729 O GLY A 49 115.249 3.635 2.610 1.00 0.00 O ATOM 0 H GLY A 49 115.834 5.589 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.395 4.815 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.967 5.678 3.276 1.00 0.00 H new ATOM 733 N PHE A 50 113.130 3.086 2.573 1.00 0.00 N ATOM 734 CA PHE A 50 113.418 1.870 1.756 1.00 0.00 C ATOM 735 C PHE A 50 112.106 1.223 1.314 1.00 0.00 C ATOM 736 O PHE A 50 111.037 1.609 1.742 1.00 0.00 O ATOM 737 CB PHE A 50 114.233 0.872 2.580 1.00 0.00 C ATOM 738 CG PHE A 50 113.377 0.304 3.684 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.322 0.944 4.929 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.642 -0.865 3.464 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.529 0.412 5.953 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.851 -1.398 4.489 1.00 0.00 C ATOM 743 CZ PHE A 50 111.793 -0.760 5.732 1.00 0.00 C ATOM 0 H PHE A 50 112.148 3.229 2.811 1.00 0.00 H new ATOM 0 HA PHE A 50 113.991 2.159 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.597 0.069 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.109 1.364 3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.890 1.846 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.684 -1.357 2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.485 0.905 6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.285 -2.302 4.320 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.181 -1.170 6.522 1.00 0.00 H new ATOM 753 N LYS A 51 112.177 0.237 0.458 1.00 0.00 N ATOM 754 CA LYS A 51 110.931 -0.436 -0.012 1.00 0.00 C ATOM 755 C LYS A 51 111.203 -1.922 -0.256 1.00 0.00 C ATOM 756 O LYS A 51 112.270 -2.302 -0.694 1.00 0.00 O ATOM 757 CB LYS A 51 110.463 0.218 -1.312 1.00 0.00 C ATOM 758 CG LYS A 51 109.156 -0.427 -1.776 1.00 0.00 C ATOM 759 CD LYS A 51 108.668 0.270 -3.048 1.00 0.00 C ATOM 760 CE LYS A 51 107.352 -0.363 -3.506 1.00 0.00 C ATOM 761 NZ LYS A 51 106.876 0.321 -4.741 1.00 0.00 N ATOM 0 H LYS A 51 113.043 -0.131 0.065 1.00 0.00 H new ATOM 0 HA LYS A 51 110.157 -0.335 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.317 1.287 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.227 0.107 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.309 -1.489 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.401 -0.349 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.526 1.334 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.418 0.183 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.495 -1.426 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.602 -0.279 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 105.982 -0.109 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.724 1.331 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.589 0.219 -5.491 1.00 0.00 H new ATOM 775 N CYS A 52 110.239 -2.764 0.019 1.00 0.00 N ATOM 776 CA CYS A 52 110.417 -4.227 -0.197 1.00 0.00 C ATOM 777 C CYS A 52 109.310 -4.726 -1.140 1.00 0.00 C ATOM 778 O CYS A 52 108.231 -4.167 -1.176 1.00 0.00 O ATOM 779 CB CYS A 52 110.302 -4.951 1.151 1.00 0.00 C ATOM 780 SG CYS A 52 111.710 -4.516 2.202 1.00 0.00 S ATOM 0 H CYS A 52 109.327 -2.494 0.388 1.00 0.00 H new ATOM 0 HA CYS A 52 111.395 -4.426 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.370 -4.676 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.273 -6.029 0.994 1.00 0.00 H new ATOM 785 N PRO A 53 109.562 -5.770 -1.891 1.00 0.00 N ATOM 786 CA PRO A 53 108.553 -6.336 -2.834 1.00 0.00 C ATOM 787 C PRO A 53 107.209 -6.600 -2.144 1.00 0.00 C ATOM 788 O PRO A 53 107.149 -6.924 -0.975 1.00 0.00 O ATOM 789 CB PRO A 53 109.189 -7.650 -3.331 1.00 0.00 C ATOM 790 CG PRO A 53 110.384 -7.884 -2.459 1.00 0.00 C ATOM 791 CD PRO A 53 110.820 -6.523 -1.938 1.00 0.00 C ATOM 0 HA PRO A 53 108.326 -5.646 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.484 -8.478 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.479 -7.571 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.136 -8.552 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.187 -8.358 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.283 -6.597 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.548 -6.052 -2.599 1.00 0.00 H new ATOM 799 N SER A 54 106.134 -6.447 -2.863 1.00 0.00 N ATOM 800 CA SER A 54 104.784 -6.669 -2.265 1.00 0.00 C ATOM 801 C SER A 54 104.569 -8.150 -1.940 1.00 0.00 C ATOM 802 O SER A 54 103.636 -8.510 -1.250 1.00 0.00 O ATOM 803 CB SER A 54 103.713 -6.209 -3.253 1.00 0.00 C ATOM 804 OG SER A 54 102.430 -6.374 -2.664 1.00 0.00 O ATOM 0 H SER A 54 106.130 -6.176 -3.846 1.00 0.00 H new ATOM 0 HA SER A 54 104.714 -6.096 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.872 -5.164 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.780 -6.787 -4.175 1.00 0.00 H new ATOM 0 HG SER A 54 102.481 -7.046 -1.953 1.00 0.00 H new ATOM 810 N ASN A 55 105.406 -9.015 -2.439 1.00 0.00 N ATOM 811 CA ASN A 55 105.221 -10.469 -2.161 1.00 0.00 C ATOM 812 C ASN A 55 106.001 -10.874 -0.909 1.00 0.00 C ATOM 813 O ASN A 55 105.963 -12.011 -0.494 1.00 0.00 O ATOM 814 CB ASN A 55 105.732 -11.280 -3.354 1.00 0.00 C ATOM 815 CG ASN A 55 104.874 -10.980 -4.584 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.665 -11.077 -4.534 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.455 -10.615 -5.694 1.00 0.00 N ATOM 0 H ASN A 55 106.207 -8.781 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 55 104.161 -10.666 -2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.774 -11.032 -3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.697 -12.345 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.893 -10.411 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.471 -10.534 -5.735 1.00 0.00 H new ATOM 824 N TYR A 56 106.705 -9.958 -0.307 1.00 0.00 N ATOM 825 CA TYR A 56 107.490 -10.290 0.922 1.00 0.00 C ATOM 826 C TYR A 56 106.848 -9.651 2.154 1.00 0.00 C ATOM 827 O TYR A 56 106.022 -8.765 2.046 1.00 0.00 O ATOM 828 CB TYR A 56 108.919 -9.781 0.758 1.00 0.00 C ATOM 829 CG TYR A 56 109.710 -10.762 -0.078 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.419 -10.921 -1.439 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.738 -11.506 0.508 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.158 -11.824 -2.212 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.478 -12.410 -0.265 1.00 0.00 C ATOM 834 CZ TYR A 56 111.188 -12.569 -1.624 1.00 0.00 C ATOM 835 OH TYR A 56 111.916 -13.460 -2.386 1.00 0.00 O ATOM 0 H TYR A 56 106.773 -8.987 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 56 107.499 -11.371 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.915 -8.801 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.387 -9.658 1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.624 -10.347 -1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.962 -11.384 1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.934 -11.946 -3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.272 -12.984 0.188 1.00 0.00 H new ATOM 0 HH TYR A 56 111.906 -14.341 -1.958 1.00 0.00 H new ATOM 845 N SER A 57 107.222 -10.095 3.329 1.00 0.00 N ATOM 846 CA SER A 57 106.635 -9.510 4.571 1.00 0.00 C ATOM 847 C SER A 57 107.668 -8.588 5.224 1.00 0.00 C ATOM 848 O SER A 57 108.830 -8.926 5.338 1.00 0.00 O ATOM 849 CB SER A 57 106.271 -10.635 5.539 1.00 0.00 C ATOM 850 OG SER A 57 105.808 -10.072 6.759 1.00 0.00 O ATOM 0 H SER A 57 107.907 -10.836 3.480 1.00 0.00 H new ATOM 0 HA SER A 57 105.738 -8.942 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.501 -11.271 5.103 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.140 -11.267 5.723 1.00 0.00 H new ATOM 0 HG SER A 57 105.572 -10.791 7.382 1.00 0.00 H new ATOM 856 N VAL A 58 107.263 -7.422 5.649 1.00 0.00 N ATOM 857 CA VAL A 58 108.238 -6.489 6.282 1.00 0.00 C ATOM 858 C VAL A 58 108.286 -6.720 7.795 1.00 0.00 C ATOM 859 O VAL A 58 107.291 -6.628 8.488 1.00 0.00 O ATOM 860 CB VAL A 58 107.828 -5.041 5.995 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.409 -4.910 4.529 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.657 -4.643 6.896 1.00 0.00 C ATOM 0 H VAL A 58 106.305 -7.077 5.586 1.00 0.00 H new ATOM 0 HA VAL A 58 109.227 -6.676 5.864 1.00 0.00 H new ATOM 0 HB VAL A 58 108.674 -4.383 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.117 -3.880 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.245 -5.185 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.566 -5.572 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.371 -3.612 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.810 -5.301 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.955 -4.732 7.941 1.00 0.00 H new ATOM 872 N GLU A 59 109.454 -7.002 8.306 1.00 0.00 N ATOM 873 CA GLU A 59 109.612 -7.227 9.770 1.00 0.00 C ATOM 874 C GLU A 59 110.743 -6.319 10.271 1.00 0.00 C ATOM 875 O GLU A 59 111.834 -6.348 9.735 1.00 0.00 O ATOM 876 CB GLU A 59 109.994 -8.687 10.036 1.00 0.00 C ATOM 877 CG GLU A 59 108.741 -9.568 10.002 1.00 0.00 C ATOM 878 CD GLU A 59 109.125 -10.985 9.568 1.00 0.00 C ATOM 879 OE1 GLU A 59 110.281 -11.341 9.732 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.257 -11.691 9.082 1.00 0.00 O ATOM 0 H GLU A 59 110.314 -7.087 7.765 1.00 0.00 H new ATOM 0 HA GLU A 59 108.677 -7.004 10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.709 -9.027 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.484 -8.773 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.273 -9.592 10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 59 108.009 -9.151 9.311 1.00 0.00 H new ATOM 887 N PRO A 60 110.506 -5.513 11.275 1.00 0.00 N ATOM 888 CA PRO A 60 111.552 -4.601 11.808 1.00 0.00 C ATOM 889 C PRO A 60 112.552 -5.331 12.700 1.00 0.00 C ATOM 890 O PRO A 60 112.211 -5.803 13.760 1.00 0.00 O ATOM 891 CB PRO A 60 110.749 -3.593 12.630 1.00 0.00 C ATOM 892 CG PRO A 60 109.548 -4.344 13.094 1.00 0.00 C ATOM 893 CD PRO A 60 109.237 -5.374 12.010 1.00 0.00 C ATOM 0 HA PRO A 60 112.148 -4.151 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.330 -3.218 13.473 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.466 -2.729 12.029 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.741 -4.832 14.049 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.704 -3.671 13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.919 -6.323 12.441 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.433 -5.036 11.357 1.00 0.00 H new ATOM 901 N HIS A 61 113.785 -5.414 12.287 1.00 0.00 N ATOM 902 CA HIS A 61 114.806 -6.098 13.129 1.00 0.00 C ATOM 903 C HIS A 61 115.489 -5.044 13.997 1.00 0.00 C ATOM 904 O HIS A 61 116.007 -5.329 15.058 1.00 0.00 O ATOM 905 CB HIS A 61 115.837 -6.787 12.233 1.00 0.00 C ATOM 906 CG HIS A 61 116.541 -7.863 13.014 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.373 -8.794 12.410 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.546 -8.169 14.353 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.840 -9.608 13.376 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.367 -9.269 14.574 1.00 0.00 N ATOM 0 H HIS A 61 114.130 -5.038 11.404 1.00 0.00 H new ATOM 0 HA HIS A 61 114.335 -6.853 13.758 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.346 -7.218 11.361 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.559 -6.058 11.865 1.00 0.00 H new ATOM 0 HD2 HIS A 61 115.997 -7.637 15.116 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.514 -10.433 13.201 1.00 0.00 H new ATOM 0 HE2 HIS A 61 117.565 -9.721 15.466 1.00 0.00 H new ATOM 919 N ASP A 62 115.477 -3.822 13.546 1.00 0.00 N ATOM 920 CA ASP A 62 116.102 -2.715 14.317 1.00 0.00 C ATOM 921 C ASP A 62 115.715 -1.390 13.661 1.00 0.00 C ATOM 922 O ASP A 62 116.514 -0.484 13.543 1.00 0.00 O ATOM 923 CB ASP A 62 117.625 -2.875 14.314 1.00 0.00 C ATOM 924 CG ASP A 62 118.256 -1.774 15.171 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.532 -0.881 15.580 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.450 -1.845 15.406 1.00 0.00 O ATOM 0 H ASP A 62 115.054 -3.540 12.662 1.00 0.00 H new ATOM 0 HA ASP A 62 115.753 -2.734 15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.899 -3.856 14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 62 118.005 -2.819 13.294 1.00 0.00 H new ATOM 931 N CYS A 63 114.488 -1.279 13.222 1.00 0.00 N ATOM 932 CA CYS A 63 114.028 -0.023 12.559 1.00 0.00 C ATOM 933 C CYS A 63 114.097 1.140 13.551 1.00 0.00 C ATOM 934 O CYS A 63 114.890 1.124 14.471 1.00 0.00 O ATOM 935 CB CYS A 63 112.593 -0.207 12.060 1.00 0.00 C ATOM 936 SG CYS A 63 112.570 -1.458 10.752 1.00 0.00 S ATOM 0 H CYS A 63 113.780 -2.010 13.295 1.00 0.00 H new ATOM 0 HA CYS A 63 114.675 0.200 11.711 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.946 -0.512 12.882 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.203 0.738 11.682 1.00 0.00 H new ATOM 941 N PHE A 64 113.288 2.159 13.366 1.00 0.00 N ATOM 942 CA PHE A 64 113.337 3.328 14.299 1.00 0.00 C ATOM 943 C PHE A 64 112.066 3.412 15.158 1.00 0.00 C ATOM 944 O PHE A 64 112.137 3.426 16.372 1.00 0.00 O ATOM 945 CB PHE A 64 113.510 4.618 13.497 1.00 0.00 C ATOM 946 CG PHE A 64 112.690 4.556 12.233 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.208 3.932 11.092 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.414 5.127 12.200 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.449 3.879 9.917 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.655 5.074 11.025 1.00 0.00 C ATOM 951 CZ PHE A 64 111.172 4.450 9.884 1.00 0.00 C ATOM 0 H PHE A 64 112.602 2.230 12.615 1.00 0.00 H new ATOM 0 HA PHE A 64 114.186 3.195 14.969 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.202 5.473 14.098 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.562 4.764 13.251 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.194 3.491 11.118 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.014 5.608 13.080 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.849 3.398 9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.670 5.515 10.999 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.585 4.409 8.978 1.00 0.00 H new ATOM 961 N VAL A 65 110.903 3.476 14.563 1.00 0.00 N ATOM 962 CA VAL A 65 109.663 3.571 15.395 1.00 0.00 C ATOM 963 C VAL A 65 109.717 2.500 16.487 1.00 0.00 C ATOM 964 O VAL A 65 109.919 2.791 17.649 1.00 0.00 O ATOM 965 CB VAL A 65 108.419 3.351 14.523 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.225 3.003 15.417 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.105 4.630 13.746 1.00 0.00 C ATOM 0 H VAL A 65 110.757 3.467 13.554 1.00 0.00 H new ATOM 0 HA VAL A 65 109.604 4.562 15.844 1.00 0.00 H new ATOM 0 HB VAL A 65 108.608 2.535 13.825 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.341 2.847 14.799 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.442 2.093 15.976 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.041 3.821 16.113 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.222 4.472 13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.917 5.444 14.446 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.952 4.887 13.110 1.00 0.00 H new ATOM 977 N SER A 66 109.548 1.263 16.115 1.00 0.00 N ATOM 978 CA SER A 66 109.603 0.161 17.117 1.00 0.00 C ATOM 979 C SER A 66 110.372 -1.005 16.499 1.00 0.00 C ATOM 980 O SER A 66 110.111 -1.400 15.381 1.00 0.00 O ATOM 981 CB SER A 66 108.183 -0.287 17.471 1.00 0.00 C ATOM 982 OG SER A 66 108.245 -1.279 18.489 1.00 0.00 O ATOM 0 H SER A 66 109.373 0.965 15.155 1.00 0.00 H new ATOM 0 HA SER A 66 110.099 0.502 18.026 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.595 0.565 17.812 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.684 -0.686 16.588 1.00 0.00 H new ATOM 0 HG SER A 66 107.337 -1.568 18.720 1.00 0.00 H new ATOM 988 N ALA A 67 111.326 -1.555 17.201 1.00 0.00 N ATOM 989 CA ALA A 67 112.105 -2.682 16.616 1.00 0.00 C ATOM 990 C ALA A 67 113.052 -3.277 17.660 1.00 0.00 C ATOM 991 O ALA A 67 113.095 -2.850 18.796 1.00 0.00 O ATOM 992 CB ALA A 67 112.927 -2.156 15.441 1.00 0.00 C ATOM 0 H ALA A 67 111.597 -1.276 18.144 1.00 0.00 H new ATOM 0 HA ALA A 67 111.415 -3.457 16.283 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.502 -2.973 15.005 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.259 -1.739 14.687 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.608 -1.380 15.792 1.00 0.00 H new ATOM 998 N PHE A 68 113.803 -4.267 17.273 1.00 0.00 N ATOM 999 CA PHE A 68 114.750 -4.913 18.229 1.00 0.00 C ATOM 1000 C PHE A 68 116.119 -4.239 18.085 1.00 0.00 C ATOM 1001 O PHE A 68 116.646 -4.117 16.999 1.00 0.00 O ATOM 1002 CB PHE A 68 114.888 -6.402 17.897 1.00 0.00 C ATOM 1003 CG PHE A 68 113.524 -7.003 17.641 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.871 -6.756 16.429 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.920 -7.817 18.606 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.612 -7.320 16.181 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.661 -8.381 18.359 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.008 -8.129 17.142 1.00 0.00 C ATOM 0 H PHE A 68 113.804 -4.661 16.332 1.00 0.00 H new ATOM 0 HA PHE A 68 114.376 -4.806 19.247 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.522 -6.530 17.019 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.375 -6.923 18.721 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.338 -6.130 15.683 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.424 -8.011 19.541 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.110 -7.128 15.245 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.194 -9.008 19.104 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.037 -8.562 16.950 1.00 0.00 H new ATOM 1018 N ASN A 69 116.692 -3.788 19.167 1.00 0.00 N ATOM 1019 CA ASN A 69 118.019 -3.111 19.075 1.00 0.00 C ATOM 1020 C ASN A 69 119.112 -4.152 18.821 1.00 0.00 C ATOM 1021 O ASN A 69 118.837 -5.312 18.593 1.00 0.00 O ATOM 1022 CB ASN A 69 118.312 -2.380 20.387 1.00 0.00 C ATOM 1023 CG ASN A 69 117.393 -1.163 20.508 1.00 0.00 C ATOM 1024 OD1 ASN A 69 116.857 -0.693 19.524 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.186 -0.631 21.681 1.00 0.00 N ATOM 0 H ASN A 69 116.302 -3.858 20.107 1.00 0.00 H new ATOM 0 HA ASN A 69 118.001 -2.395 18.253 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.158 -3.051 21.232 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.355 -2.066 20.416 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.574 0.180 21.772 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.636 -1.026 22.507 1.00 0.00 H new ATOM 1032 N LEU A 70 120.349 -3.746 18.866 1.00 0.00 N ATOM 1033 CA LEU A 70 121.461 -4.710 18.635 1.00 0.00 C ATOM 1034 C LEU A 70 121.447 -5.764 19.740 1.00 0.00 C ATOM 1035 O LEU A 70 121.951 -6.858 19.574 1.00 0.00 O ATOM 1036 CB LEU A 70 122.798 -3.961 18.652 1.00 0.00 C ATOM 1037 CG LEU A 70 122.909 -3.077 17.405 1.00 0.00 C ATOM 1038 CD1 LEU A 70 123.998 -2.023 17.620 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.281 -3.938 16.190 1.00 0.00 C ATOM 0 H LEU A 70 120.639 -2.786 19.053 1.00 0.00 H new ATOM 0 HA LEU A 70 121.334 -5.195 17.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 122.872 -3.349 19.551 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.624 -4.672 18.681 1.00 0.00 H new ATOM 0 HG LEU A 70 121.951 -2.589 17.228 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.076 -1.395 16.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 123.742 -1.405 18.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 124.953 -2.518 17.800 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.359 -3.305 15.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.238 -4.428 16.371 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.511 -4.693 16.029 1.00 0.00 H new ATOM 1051 N SER A 71 120.863 -5.448 20.863 1.00 0.00 N ATOM 1052 CA SER A 71 120.800 -6.435 21.977 1.00 0.00 C ATOM 1053 C SER A 71 119.626 -7.383 21.732 1.00 0.00 C ATOM 1054 O SER A 71 119.446 -8.362 22.430 1.00 0.00 O ATOM 1055 CB SER A 71 120.587 -5.698 23.299 1.00 0.00 C ATOM 1056 OG SER A 71 119.322 -5.050 23.278 1.00 0.00 O ATOM 0 H SER A 71 120.426 -4.547 21.057 1.00 0.00 H new ATOM 0 HA SER A 71 121.731 -7.000 22.023 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.635 -6.400 24.132 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.380 -4.967 23.453 1.00 0.00 H new ATOM 0 HG SER A 71 119.182 -4.578 24.125 1.00 0.00 H new ATOM 1062 N GLY A 72 118.826 -7.099 20.739 1.00 0.00 N ATOM 1063 CA GLY A 72 117.663 -7.974 20.435 1.00 0.00 C ATOM 1064 C GLY A 72 116.501 -7.617 21.364 1.00 0.00 C ATOM 1065 O GLY A 72 115.577 -8.385 21.540 1.00 0.00 O ATOM 0 H GLY A 72 118.931 -6.293 20.123 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.363 -7.850 19.395 1.00 0.00 H new ATOM 0 HA3 GLY A 72 117.938 -9.021 20.564 1.00 0.00 H new ATOM 1069 N LYS A 73 116.539 -6.455 21.959 1.00 0.00 N ATOM 1070 CA LYS A 73 115.435 -6.045 22.875 1.00 0.00 C ATOM 1071 C LYS A 73 114.510 -5.076 22.137 1.00 0.00 C ATOM 1072 O LYS A 73 114.955 -4.239 21.380 1.00 0.00 O ATOM 1073 CB LYS A 73 116.031 -5.353 24.104 1.00 0.00 C ATOM 1074 CG LYS A 73 117.064 -6.269 24.771 1.00 0.00 C ATOM 1075 CD LYS A 73 116.349 -7.389 25.534 1.00 0.00 C ATOM 1076 CE LYS A 73 117.381 -8.254 26.257 1.00 0.00 C ATOM 1077 NZ LYS A 73 116.680 -9.338 27.003 1.00 0.00 N ATOM 0 H LYS A 73 117.288 -5.771 21.850 1.00 0.00 H new ATOM 0 HA LYS A 73 114.869 -6.921 23.192 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.501 -4.414 23.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.240 -5.106 24.812 1.00 0.00 H new ATOM 0 HG2 LYS A 73 117.726 -6.695 24.017 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.688 -5.692 25.454 1.00 0.00 H new ATOM 0 HD2 LYS A 73 115.648 -6.964 26.252 1.00 0.00 H new ATOM 0 HD3 LYS A 73 115.767 -7.999 24.844 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.079 -8.684 25.539 1.00 0.00 H new ATOM 0 HE3 LYS A 73 117.966 -7.644 26.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 117.380 -9.929 27.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 116.031 -8.917 27.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 116.140 -9.925 26.336 1.00 0.00 H new ATOM 1091 N ASN A 74 113.224 -5.192 22.341 1.00 0.00 N ATOM 1092 CA ASN A 74 112.273 -4.285 21.633 1.00 0.00 C ATOM 1093 C ASN A 74 112.204 -2.933 22.347 1.00 0.00 C ATOM 1094 O ASN A 74 111.777 -2.838 23.481 1.00 0.00 O ATOM 1095 CB ASN A 74 110.881 -4.920 21.609 1.00 0.00 C ATOM 1096 CG ASN A 74 109.948 -4.075 20.739 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.382 -3.460 19.785 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.677 -4.018 21.028 1.00 0.00 N ATOM 0 H ASN A 74 112.792 -5.873 22.965 1.00 0.00 H new ATOM 0 HA ASN A 74 112.623 -4.131 20.612 1.00 0.00 H new ATOM 0 HB2 ASN A 74 110.940 -5.935 21.217 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.485 -4.992 22.622 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.048 -3.457 20.453 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.312 -4.534 21.829 1.00 0.00 H new ATOM 1105 N GLU A 75 112.623 -1.883 21.688 1.00 0.00 N ATOM 1106 CA GLU A 75 112.584 -0.534 22.323 1.00 0.00 C ATOM 1107 C GLU A 75 112.453 0.547 21.239 1.00 0.00 C ATOM 1108 O GLU A 75 113.060 0.463 20.190 1.00 0.00 O ATOM 1109 CB GLU A 75 113.878 -0.305 23.108 1.00 0.00 C ATOM 1110 CG GLU A 75 113.831 1.065 23.792 1.00 0.00 C ATOM 1111 CD GLU A 75 115.108 1.274 24.609 1.00 0.00 C ATOM 1112 OE1 GLU A 75 116.037 0.503 24.428 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.136 2.201 25.403 1.00 0.00 O ATOM 0 H GLU A 75 112.991 -1.903 20.737 1.00 0.00 H new ATOM 0 HA GLU A 75 111.728 -0.478 22.996 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.007 -1.090 23.853 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.736 -0.358 22.438 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.732 1.853 23.045 1.00 0.00 H new ATOM 0 HG3 GLU A 75 112.957 1.129 24.441 1.00 0.00 H new ATOM 1120 N ASN A 76 111.654 1.554 21.487 1.00 0.00 N ATOM 1121 CA ASN A 76 111.477 2.625 20.463 1.00 0.00 C ATOM 1122 C ASN A 76 112.819 3.333 20.238 1.00 0.00 C ATOM 1123 O ASN A 76 113.628 3.441 21.132 1.00 0.00 O ATOM 1124 CB ASN A 76 110.440 3.635 20.962 1.00 0.00 C ATOM 1125 CG ASN A 76 109.027 3.079 20.747 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.862 1.950 20.331 1.00 0.00 O ATOM 1127 ND2 ASN A 76 107.992 3.839 20.997 1.00 0.00 N ATOM 0 H ASN A 76 111.121 1.680 22.348 1.00 0.00 H new ATOM 0 HA ASN A 76 111.134 2.188 19.525 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.602 3.843 22.020 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.554 4.580 20.430 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.049 3.483 20.843 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.128 4.788 21.346 1.00 0.00 H new ATOM 1134 N LEU A 77 113.058 3.809 19.045 1.00 0.00 N ATOM 1135 CA LEU A 77 114.348 4.500 18.753 1.00 0.00 C ATOM 1136 C LEU A 77 114.159 6.016 18.853 1.00 0.00 C ATOM 1137 O LEU A 77 115.030 6.787 18.502 1.00 0.00 O ATOM 1138 CB LEU A 77 114.814 4.135 17.340 1.00 0.00 C ATOM 1139 CG LEU A 77 116.320 4.390 17.195 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.102 3.418 18.093 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.733 4.178 15.738 1.00 0.00 C ATOM 0 H LEU A 77 112.413 3.749 18.257 1.00 0.00 H new ATOM 0 HA LEU A 77 115.098 4.183 19.478 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.594 3.087 17.136 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.266 4.724 16.605 1.00 0.00 H new ATOM 0 HG LEU A 77 116.542 5.414 17.495 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.171 3.604 17.986 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.810 3.568 19.132 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.881 2.392 17.798 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.803 4.359 15.633 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.507 3.154 15.441 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.184 4.870 15.100 1.00 0.00 H new ATOM 1153 N GLU A 78 113.021 6.457 19.312 1.00 0.00 N ATOM 1154 CA GLU A 78 112.778 7.927 19.415 1.00 0.00 C ATOM 1155 C GLU A 78 113.671 8.532 20.503 1.00 0.00 C ATOM 1156 O GLU A 78 114.226 9.602 20.341 1.00 0.00 O ATOM 1157 CB GLU A 78 111.306 8.190 19.744 1.00 0.00 C ATOM 1158 CG GLU A 78 110.984 7.675 21.148 1.00 0.00 C ATOM 1159 CD GLU A 78 109.490 7.845 21.421 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.927 8.815 20.940 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.932 7.001 22.101 1.00 0.00 O ATOM 0 H GLU A 78 112.249 5.866 19.620 1.00 0.00 H new ATOM 0 HA GLU A 78 113.019 8.393 18.460 1.00 0.00 H new ATOM 0 HB2 GLU A 78 111.096 9.258 19.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.667 7.697 19.011 1.00 0.00 H new ATOM 0 HG2 GLU A 78 111.264 6.625 21.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.565 8.222 21.890 1.00 0.00 H new ATOM 1168 N ASN A 79 113.828 7.853 21.607 1.00 0.00 N ATOM 1169 CA ASN A 79 114.695 8.392 22.694 1.00 0.00 C ATOM 1170 C ASN A 79 116.127 8.517 22.176 1.00 0.00 C ATOM 1171 O ASN A 79 116.857 9.421 22.536 1.00 0.00 O ATOM 1172 CB ASN A 79 114.657 7.449 23.896 1.00 0.00 C ATOM 1173 CG ASN A 79 115.534 8.016 25.014 1.00 0.00 C ATOM 1174 OD1 ASN A 79 116.382 8.852 24.772 1.00 0.00 O ATOM 1175 ND2 ASN A 79 115.363 7.597 26.238 1.00 0.00 N ATOM 0 H ASN A 79 113.395 6.951 21.803 1.00 0.00 H new ATOM 0 HA ASN A 79 114.333 9.373 23.002 1.00 0.00 H new ATOM 0 HB2 ASN A 79 113.632 7.331 24.247 1.00 0.00 H new ATOM 0 HB3 ASN A 79 115.011 6.459 23.607 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.941 7.971 26.991 1.00 0.00 H new ATOM 0 HD22 ASN A 79 114.651 6.895 26.442 1.00 0.00 H new ATOM 1182 N LYS A 80 116.531 7.621 21.319 1.00 0.00 N ATOM 1183 CA LYS A 80 117.909 7.692 20.755 1.00 0.00 C ATOM 1184 C LYS A 80 117.984 8.823 19.726 1.00 0.00 C ATOM 1185 O LYS A 80 118.880 9.644 19.750 1.00 0.00 O ATOM 1186 CB LYS A 80 118.250 6.360 20.082 1.00 0.00 C ATOM 1187 CG LYS A 80 119.594 6.463 19.346 1.00 0.00 C ATOM 1188 CD LYS A 80 120.700 6.800 20.349 1.00 0.00 C ATOM 1189 CE LYS A 80 122.062 6.514 19.720 1.00 0.00 C ATOM 1190 NZ LYS A 80 123.142 6.902 20.672 1.00 0.00 N ATOM 0 H LYS A 80 115.966 6.841 20.984 1.00 0.00 H new ATOM 0 HA LYS A 80 118.622 7.887 21.556 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.297 5.568 20.830 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.463 6.088 19.379 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.819 5.522 18.843 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.541 7.232 18.575 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.635 7.848 20.640 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.575 6.209 21.256 1.00 0.00 H new ATOM 0 HE2 LYS A 80 122.145 5.456 19.472 1.00 0.00 H new ATOM 0 HE3 LYS A 80 122.168 7.069 18.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.941 7.308 20.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.776 7.607 21.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 123.463 6.062 21.194 1.00 0.00 H new ATOM 1204 N LEU A 81 117.047 8.864 18.819 1.00 0.00 N ATOM 1205 CA LEU A 81 117.047 9.932 17.781 1.00 0.00 C ATOM 1206 C LEU A 81 115.614 10.417 17.560 1.00 0.00 C ATOM 1207 O LEU A 81 114.725 9.638 17.275 1.00 0.00 O ATOM 1208 CB LEU A 81 117.605 9.366 16.471 1.00 0.00 C ATOM 1209 CG LEU A 81 117.693 10.474 15.417 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.600 11.600 15.924 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.276 9.895 14.127 1.00 0.00 C ATOM 0 H LEU A 81 116.277 8.199 18.753 1.00 0.00 H new ATOM 0 HA LEU A 81 117.668 10.766 18.109 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.592 8.936 16.642 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.965 8.561 16.111 1.00 0.00 H new ATOM 0 HG LEU A 81 116.697 10.873 15.226 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.660 12.386 15.171 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.189 12.011 16.846 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.598 11.205 16.116 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.341 10.679 13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.272 9.498 14.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.631 9.095 13.763 1.00 0.00 H new ATOM 1223 N LYS A 82 115.374 11.691 17.694 1.00 0.00 N ATOM 1224 CA LYS A 82 113.990 12.206 17.494 1.00 0.00 C ATOM 1225 C LYS A 82 113.713 12.377 15.997 1.00 0.00 C ATOM 1226 O LYS A 82 113.957 13.420 15.424 1.00 0.00 O ATOM 1227 CB LYS A 82 113.839 13.556 18.205 1.00 0.00 C ATOM 1228 CG LYS A 82 112.393 13.732 18.679 1.00 0.00 C ATOM 1229 CD LYS A 82 112.281 14.996 19.534 1.00 0.00 C ATOM 1230 CE LYS A 82 112.451 16.231 18.648 1.00 0.00 C ATOM 1231 NZ LYS A 82 111.973 17.438 19.378 1.00 0.00 N ATOM 0 H LYS A 82 116.072 12.396 17.932 1.00 0.00 H new ATOM 0 HA LYS A 82 113.276 11.495 17.911 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.519 13.608 19.055 1.00 0.00 H new ATOM 0 HB3 LYS A 82 114.111 14.366 17.529 1.00 0.00 H new ATOM 0 HG2 LYS A 82 111.725 13.801 17.821 1.00 0.00 H new ATOM 0 HG3 LYS A 82 112.081 12.862 19.256 1.00 0.00 H new ATOM 0 HD2 LYS A 82 111.313 15.025 20.034 1.00 0.00 H new ATOM 0 HD3 LYS A 82 113.042 14.988 20.314 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.498 16.352 18.372 1.00 0.00 H new ATOM 0 HE3 LYS A 82 111.889 16.107 17.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 112.089 18.277 18.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 110.968 17.322 19.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 112.527 17.559 20.250 1.00 0.00 H new ATOM 1245 N LEU A 83 113.205 11.357 15.362 1.00 0.00 N ATOM 1246 CA LEU A 83 112.911 11.452 13.904 1.00 0.00 C ATOM 1247 C LEU A 83 111.652 12.287 13.679 1.00 0.00 C ATOM 1248 O LEU A 83 110.759 12.324 14.505 1.00 0.00 O ATOM 1249 CB LEU A 83 112.691 10.050 13.335 1.00 0.00 C ATOM 1250 CG LEU A 83 113.995 9.252 13.406 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.743 7.824 12.918 1.00 0.00 C ATOM 1252 CD2 LEU A 83 115.055 9.915 12.518 1.00 0.00 C ATOM 0 H LEU A 83 112.980 10.459 15.791 1.00 0.00 H new ATOM 0 HA LEU A 83 113.754 11.927 13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.909 9.538 13.896 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.350 10.116 12.302 1.00 0.00 H new ATOM 0 HG LEU A 83 114.350 9.230 14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.670 7.254 12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.992 7.351 13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.387 7.849 11.888 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.982 9.345 12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.702 9.940 11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.235 10.933 12.864 1.00 0.00 H new ATOM 1264 N THR A 84 111.577 12.964 12.560 1.00 0.00 N ATOM 1265 CA THR A 84 110.371 13.805 12.272 1.00 0.00 C ATOM 1266 C THR A 84 109.810 13.427 10.900 1.00 0.00 C ATOM 1267 O THR A 84 110.498 12.854 10.080 1.00 0.00 O ATOM 1268 CB THR A 84 110.766 15.284 12.266 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.664 15.525 11.192 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.441 15.641 13.590 1.00 0.00 C ATOM 0 H THR A 84 112.295 12.972 11.835 1.00 0.00 H new ATOM 0 HA THR A 84 109.617 13.634 13.040 1.00 0.00 H new ATOM 0 HB THR A 84 109.875 15.899 12.141 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.918 16.472 11.184 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.721 16.694 13.583 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.750 15.455 14.412 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.334 15.029 13.720 1.00 0.00 H new ATOM 1278 N ASN A 85 108.566 13.743 10.641 1.00 0.00 N ATOM 1279 CA ASN A 85 107.973 13.402 9.316 1.00 0.00 C ATOM 1280 C ASN A 85 108.113 11.902 9.053 1.00 0.00 C ATOM 1281 O ASN A 85 108.621 11.488 8.030 1.00 0.00 O ATOM 1282 CB ASN A 85 108.688 14.189 8.218 1.00 0.00 C ATOM 1283 CG ASN A 85 108.157 15.624 8.184 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.074 15.895 8.662 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.879 16.563 7.635 1.00 0.00 N ATOM 0 H ASN A 85 107.939 14.221 11.288 1.00 0.00 H new ATOM 0 HA ASN A 85 106.915 13.664 9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.763 14.193 8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.530 13.710 7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.533 17.522 7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.789 16.337 7.233 1.00 0.00 H new ATOM 1292 N ILE A 86 107.672 11.087 9.970 1.00 0.00 N ATOM 1293 CA ILE A 86 107.779 9.613 9.781 1.00 0.00 C ATOM 1294 C ILE A 86 106.627 9.112 8.905 1.00 0.00 C ATOM 1295 O ILE A 86 105.481 9.454 9.114 1.00 0.00 O ATOM 1296 CB ILE A 86 107.728 8.930 11.148 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.961 9.337 11.961 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.715 7.413 10.965 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.799 8.869 13.408 1.00 0.00 C ATOM 0 H ILE A 86 107.240 11.380 10.846 1.00 0.00 H new ATOM 0 HA ILE A 86 108.722 9.376 9.287 1.00 0.00 H new ATOM 0 HB ILE A 86 106.824 9.236 11.674 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.858 8.898 11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 86 109.088 10.419 11.930 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.679 6.929 11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.839 7.124 10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.618 7.102 10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.677 9.159 13.985 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.911 9.329 13.842 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.693 7.784 13.430 1.00 0.00 H new ATOM 1311 N ILE A 87 106.931 8.298 7.924 1.00 0.00 N ATOM 1312 CA ILE A 87 105.862 7.761 7.024 1.00 0.00 C ATOM 1313 C ILE A 87 105.889 6.231 7.067 1.00 0.00 C ATOM 1314 O ILE A 87 106.897 5.622 6.779 1.00 0.00 O ATOM 1315 CB ILE A 87 106.131 8.218 5.586 1.00 0.00 C ATOM 1316 CG1 ILE A 87 106.151 9.749 5.520 1.00 0.00 C ATOM 1317 CG2 ILE A 87 105.042 7.678 4.660 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.835 10.314 6.065 1.00 0.00 C ATOM 0 H ILE A 87 107.876 7.981 7.707 1.00 0.00 H new ATOM 0 HA ILE A 87 104.890 8.128 7.355 1.00 0.00 H new ATOM 0 HB ILE A 87 107.099 7.834 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.990 10.135 6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.298 10.075 4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.237 8.005 3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 87 105.040 6.589 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 87 104.071 8.054 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.858 11.403 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 87 104.003 9.940 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.706 10.002 7.101 1.00 0.00 H new ATOM 1330 N MET A 88 104.793 5.601 7.424 1.00 0.00 N ATOM 1331 CA MET A 88 104.774 4.105 7.479 1.00 0.00 C ATOM 1332 C MET A 88 103.675 3.567 6.558 1.00 0.00 C ATOM 1333 O MET A 88 102.508 3.587 6.891 1.00 0.00 O ATOM 1334 CB MET A 88 104.504 3.647 8.915 1.00 0.00 C ATOM 1335 CG MET A 88 105.593 4.197 9.840 1.00 0.00 C ATOM 1336 SD MET A 88 105.244 3.702 11.547 1.00 0.00 S ATOM 1337 CE MET A 88 105.642 1.945 11.370 1.00 0.00 C ATOM 0 H MET A 88 103.916 6.056 7.678 1.00 0.00 H new ATOM 0 HA MET A 88 105.740 3.722 7.150 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.524 3.996 9.241 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.487 2.558 8.964 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.569 3.821 9.534 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.633 5.284 9.766 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.279 1.631 12.197 1.00 0.00 H new ATOM 0 HE2 MET A 88 104.722 1.361 11.379 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.165 1.784 10.427 1.00 0.00 H new ATOM 1347 N ASP A 89 104.045 3.071 5.403 1.00 0.00 N ATOM 1348 CA ASP A 89 103.030 2.508 4.459 1.00 0.00 C ATOM 1349 C ASP A 89 103.230 0.990 4.356 1.00 0.00 C ATOM 1350 O ASP A 89 104.103 0.512 3.657 1.00 0.00 O ATOM 1351 CB ASP A 89 103.211 3.145 3.082 1.00 0.00 C ATOM 1352 CG ASP A 89 102.043 2.750 2.176 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.245 1.930 2.598 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.969 3.274 1.077 1.00 0.00 O ATOM 0 H ASP A 89 105.009 3.032 5.072 1.00 0.00 H new ATOM 0 HA ASP A 89 102.025 2.720 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.261 4.230 3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 89 104.153 2.820 2.641 1.00 0.00 H new ATOM 1359 N HIS A 90 102.426 0.226 5.044 1.00 0.00 N ATOM 1360 CA HIS A 90 102.575 -1.256 4.990 1.00 0.00 C ATOM 1361 C HIS A 90 102.081 -1.800 3.645 1.00 0.00 C ATOM 1362 O HIS A 90 102.615 -2.759 3.125 1.00 0.00 O ATOM 1363 CB HIS A 90 101.770 -1.889 6.125 1.00 0.00 C ATOM 1364 CG HIS A 90 102.423 -1.565 7.441 1.00 0.00 C ATOM 1365 ND1 HIS A 90 102.094 -0.431 8.172 1.00 0.00 N ATOM 1366 CD2 HIS A 90 103.390 -2.213 8.170 1.00 0.00 C ATOM 1367 CE1 HIS A 90 102.850 -0.432 9.285 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.655 -1.495 9.330 1.00 0.00 N ATOM 0 H HIS A 90 101.672 0.564 5.642 1.00 0.00 H new ATOM 0 HA HIS A 90 103.630 -1.507 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.746 -1.515 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.716 -2.969 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 90 103.870 -3.138 7.886 1.00 0.00 H new ATOM 0 HE1 HIS A 90 102.810 0.332 10.047 1.00 0.00 H new ATOM 0 HE2 HIS A 90 104.325 -1.731 10.062 1.00 0.00 H new ATOM 1377 N TYR A 91 101.061 -1.212 3.083 1.00 0.00 N ATOM 1378 CA TYR A 91 100.543 -1.722 1.779 1.00 0.00 C ATOM 1379 C TYR A 91 101.640 -1.630 0.719 1.00 0.00 C ATOM 1380 O TYR A 91 101.884 -2.566 -0.016 1.00 0.00 O ATOM 1381 CB TYR A 91 99.336 -0.890 1.341 1.00 0.00 C ATOM 1382 CG TYR A 91 98.880 -1.355 -0.022 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.129 -2.531 -0.147 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.213 -0.613 -1.161 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.712 -2.963 -1.412 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.794 -1.045 -2.424 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.044 -2.220 -2.551 1.00 0.00 C ATOM 1388 OH TYR A 91 97.632 -2.646 -3.797 1.00 0.00 O ATOM 0 H TYR A 91 100.566 -0.406 3.466 1.00 0.00 H new ATOM 0 HA TYR A 91 100.239 -2.762 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.526 -0.994 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.600 0.167 1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.872 -3.104 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.793 0.293 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.134 -3.870 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.050 -0.471 -3.302 1.00 0.00 H new ATOM 0 HH TYR A 91 97.946 -2.015 -4.479 1.00 0.00 H new ATOM 1398 N ASN A 92 102.314 -0.514 0.638 1.00 0.00 N ATOM 1399 CA ASN A 92 103.402 -0.376 -0.371 1.00 0.00 C ATOM 1400 C ASN A 92 104.714 -0.872 0.238 1.00 0.00 C ATOM 1401 O ASN A 92 105.732 -0.944 -0.423 1.00 0.00 O ATOM 1402 CB ASN A 92 103.541 1.090 -0.780 1.00 0.00 C ATOM 1403 CG ASN A 92 102.392 1.473 -1.714 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.738 0.616 -2.273 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.119 2.734 -1.910 1.00 0.00 N ATOM 0 H ASN A 92 102.158 0.305 1.225 1.00 0.00 H new ATOM 0 HA ASN A 92 103.163 -0.969 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.532 1.727 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.497 1.250 -1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.356 3.000 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.668 3.454 -1.440 1.00 0.00 H new ATOM 1412 N ASN A 93 104.690 -1.237 1.494 1.00 0.00 N ATOM 1413 CA ASN A 93 105.922 -1.756 2.148 1.00 0.00 C ATOM 1414 C ASN A 93 107.066 -0.752 1.989 1.00 0.00 C ATOM 1415 O ASN A 93 108.167 -1.115 1.630 1.00 0.00 O ATOM 1416 CB ASN A 93 106.317 -3.089 1.505 1.00 0.00 C ATOM 1417 CG ASN A 93 105.303 -4.166 1.895 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.543 -3.992 2.827 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.262 -5.286 1.222 1.00 0.00 N ATOM 0 H ASN A 93 103.866 -1.197 2.094 1.00 0.00 H new ATOM 0 HA ASN A 93 105.726 -1.904 3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.353 -2.985 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.316 -3.380 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.593 -6.012 1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.899 -5.434 0.439 1.00 0.00 H new ATOM 1426 N THR A 94 106.819 0.508 2.256 1.00 0.00 N ATOM 1427 CA THR A 94 107.899 1.530 2.123 1.00 0.00 C ATOM 1428 C THR A 94 107.917 2.414 3.371 1.00 0.00 C ATOM 1429 O THR A 94 106.886 2.799 3.887 1.00 0.00 O ATOM 1430 CB THR A 94 107.644 2.393 0.885 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.546 3.489 0.884 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.209 2.912 0.910 1.00 0.00 C ATOM 0 H THR A 94 105.915 0.871 2.560 1.00 0.00 H new ATOM 0 HA THR A 94 108.861 1.029 2.018 1.00 0.00 H new ATOM 0 HB THR A 94 107.795 1.795 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.099 4.280 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.029 3.526 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.517 2.070 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.054 3.511 1.807 1.00 0.00 H new ATOM 1440 N PHE A 95 109.087 2.725 3.870 1.00 0.00 N ATOM 1441 CA PHE A 95 109.174 3.575 5.100 1.00 0.00 C ATOM 1442 C PHE A 95 110.115 4.760 4.856 1.00 0.00 C ATOM 1443 O PHE A 95 111.150 4.623 4.238 1.00 0.00 O ATOM 1444 CB PHE A 95 109.724 2.727 6.250 1.00 0.00 C ATOM 1445 CG PHE A 95 108.798 1.560 6.501 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.908 0.400 5.727 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.832 1.636 7.511 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.051 -0.683 5.961 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.976 0.554 7.746 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.085 -0.605 6.969 1.00 0.00 C ATOM 0 H PHE A 95 109.983 2.429 3.482 1.00 0.00 H new ATOM 0 HA PHE A 95 108.182 3.953 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.723 2.366 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.816 3.333 7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.654 0.339 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.747 2.531 8.110 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.136 -1.578 5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.232 0.613 8.526 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.423 -1.439 7.148 1.00 0.00 H new ATOM 1460 N TYR A 96 109.762 5.926 5.344 1.00 0.00 N ATOM 1461 CA TYR A 96 110.637 7.123 5.148 1.00 0.00 C ATOM 1462 C TYR A 96 110.730 7.902 6.465 1.00 0.00 C ATOM 1463 O TYR A 96 109.791 7.949 7.234 1.00 0.00 O ATOM 1464 CB TYR A 96 110.034 8.048 4.086 1.00 0.00 C ATOM 1465 CG TYR A 96 109.767 7.287 2.810 1.00 0.00 C ATOM 1466 CD1 TYR A 96 108.534 6.652 2.623 1.00 0.00 C ATOM 1467 CD2 TYR A 96 110.741 7.233 1.809 1.00 0.00 C ATOM 1468 CE1 TYR A 96 108.277 5.962 1.435 1.00 0.00 C ATOM 1469 CE2 TYR A 96 110.485 6.539 0.619 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.252 5.903 0.433 1.00 0.00 C ATOM 1471 OH TYR A 96 108.996 5.223 -0.739 1.00 0.00 O ATOM 0 H TYR A 96 108.905 6.099 5.870 1.00 0.00 H new ATOM 0 HA TYR A 96 111.624 6.788 4.829 1.00 0.00 H new ATOM 0 HB2 TYR A 96 109.106 8.482 4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.715 8.875 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 96 107.781 6.695 3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 96 111.691 7.726 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 96 107.325 5.474 1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 96 111.238 6.495 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 96 109.198 4.272 -0.616 1.00 0.00 H new ATOM 1481 N SER A 97 111.850 8.518 6.729 1.00 0.00 N ATOM 1482 CA SER A 97 111.997 9.301 7.990 1.00 0.00 C ATOM 1483 C SER A 97 113.002 10.435 7.763 1.00 0.00 C ATOM 1484 O SER A 97 113.881 10.339 6.923 1.00 0.00 O ATOM 1485 CB SER A 97 112.498 8.389 9.111 1.00 0.00 C ATOM 1486 OG SER A 97 112.761 9.171 10.268 1.00 0.00 O ATOM 0 H SER A 97 112.672 8.513 6.125 1.00 0.00 H new ATOM 0 HA SER A 97 111.031 9.717 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.753 7.626 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.403 7.869 8.796 1.00 0.00 H new ATOM 0 HG SER A 97 112.141 9.929 10.298 1.00 0.00 H new ATOM 1492 N ARG A 98 112.878 11.514 8.502 1.00 0.00 N ATOM 1493 CA ARG A 98 113.829 12.654 8.325 1.00 0.00 C ATOM 1494 C ARG A 98 114.770 12.724 9.535 1.00 0.00 C ATOM 1495 O ARG A 98 114.352 12.572 10.675 1.00 0.00 O ATOM 1496 CB ARG A 98 113.046 13.966 8.207 1.00 0.00 C ATOM 1497 CG ARG A 98 112.103 13.905 7.000 1.00 0.00 C ATOM 1498 CD ARG A 98 111.436 15.269 6.797 1.00 0.00 C ATOM 1499 NE ARG A 98 112.320 16.118 5.939 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.953 17.322 5.579 1.00 0.00 C ATOM 1501 NH1 ARG A 98 110.754 17.758 5.864 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.778 18.081 4.913 1.00 0.00 N ATOM 0 H ARG A 98 112.163 11.652 9.216 1.00 0.00 H new ATOM 0 HA ARG A 98 114.413 12.502 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.474 14.141 9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.736 14.803 8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.659 13.625 6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.344 13.138 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.460 15.145 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.267 15.753 7.759 1.00 0.00 H new ATOM 0 HE ARG A 98 113.221 15.754 5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 98 110.100 17.159 6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 98 110.472 18.697 5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 98 113.708 17.736 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 98 112.494 19.019 4.632 1.00 0.00 H new ATOM 1516 N LEU A 99 116.032 12.951 9.286 1.00 0.00 N ATOM 1517 CA LEU A 99 117.018 13.034 10.402 1.00 0.00 C ATOM 1518 C LEU A 99 117.183 14.498 10.836 1.00 0.00 C ATOM 1519 O LEU A 99 117.222 15.383 10.005 1.00 0.00 O ATOM 1520 CB LEU A 99 118.377 12.512 9.933 1.00 0.00 C ATOM 1521 CG LEU A 99 118.239 11.089 9.395 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.632 10.525 9.108 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.542 10.209 10.434 1.00 0.00 C ATOM 0 H LEU A 99 116.424 13.083 8.354 1.00 0.00 H new ATOM 0 HA LEU A 99 116.656 12.433 11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.777 13.165 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.086 12.528 10.761 1.00 0.00 H new ATOM 0 HG LEU A 99 117.648 11.102 8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.541 9.509 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 99 120.132 11.150 8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.217 10.514 10.028 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.446 9.195 10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.131 10.192 11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.552 10.612 10.646 1.00 0.00 H new ATOM 1535 N PRO A 100 117.310 14.764 12.117 1.00 0.00 N ATOM 1536 CA PRO A 100 117.504 16.152 12.613 1.00 0.00 C ATOM 1537 C PRO A 100 118.570 16.887 11.798 1.00 0.00 C ATOM 1538 O PRO A 100 119.377 16.275 11.132 1.00 0.00 O ATOM 1539 CB PRO A 100 117.981 15.958 14.053 1.00 0.00 C ATOM 1540 CG PRO A 100 117.420 14.644 14.482 1.00 0.00 C ATOM 1541 CD PRO A 100 117.272 13.790 13.223 1.00 0.00 C ATOM 0 HA PRO A 100 116.597 16.751 12.535 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.070 15.958 14.110 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.628 16.765 14.696 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.080 14.159 15.202 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.456 14.778 14.973 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.078 13.061 13.139 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.336 13.231 13.229 1.00 0.00 H new ATOM 1549 N SER A 101 118.568 18.189 11.829 1.00 0.00 N ATOM 1550 CA SER A 101 119.575 18.946 11.039 1.00 0.00 C ATOM 1551 C SER A 101 120.967 18.736 11.638 1.00 0.00 C ATOM 1552 O SER A 101 121.966 19.018 11.009 1.00 0.00 O ATOM 1553 CB SER A 101 119.230 20.435 11.067 1.00 0.00 C ATOM 1554 OG SER A 101 119.216 20.890 12.414 1.00 0.00 O ATOM 0 H SER A 101 117.915 18.760 12.365 1.00 0.00 H new ATOM 0 HA SER A 101 119.567 18.588 10.010 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.961 21.000 10.488 1.00 0.00 H new ATOM 0 HB3 SER A 101 118.258 20.603 10.604 1.00 0.00 H new ATOM 0 HG SER A 101 118.997 21.845 12.434 1.00 0.00 H new ATOM 1560 N LEU A 102 121.039 18.259 12.854 1.00 0.00 N ATOM 1561 CA LEU A 102 122.370 18.049 13.502 1.00 0.00 C ATOM 1562 C LEU A 102 122.527 16.591 13.945 1.00 0.00 C ATOM 1563 O LEU A 102 121.663 16.032 14.590 1.00 0.00 O ATOM 1564 CB LEU A 102 122.475 18.969 14.720 1.00 0.00 C ATOM 1565 CG LEU A 102 123.821 18.762 15.417 1.00 0.00 C ATOM 1566 CD1 LEU A 102 124.960 19.028 14.429 1.00 0.00 C ATOM 1567 CD2 LEU A 102 123.932 19.734 16.594 1.00 0.00 C ATOM 0 H LEU A 102 120.234 18.006 13.427 1.00 0.00 H new ATOM 0 HA LEU A 102 123.159 18.280 12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.373 20.009 14.410 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.661 18.761 15.414 1.00 0.00 H new ATOM 0 HG LEU A 102 123.890 17.736 15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 102 125.917 18.880 14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 102 124.880 18.340 13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 102 124.895 20.054 14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 102 124.890 19.591 17.095 1.00 0.00 H new ATOM 0 HD22 LEU A 102 123.863 20.758 16.228 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.122 19.546 17.299 1.00 0.00 H new ATOM 1579 N ILE A 103 123.638 15.979 13.616 1.00 0.00 N ATOM 1580 CA ILE A 103 123.873 14.567 14.038 1.00 0.00 C ATOM 1581 C ILE A 103 125.355 14.400 14.383 1.00 0.00 C ATOM 1582 O ILE A 103 126.223 14.706 13.587 1.00 0.00 O ATOM 1583 CB ILE A 103 123.505 13.613 12.899 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.050 13.842 12.487 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.668 12.164 13.370 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.701 12.931 11.306 1.00 0.00 C ATOM 0 H ILE A 103 124.392 16.399 13.073 1.00 0.00 H new ATOM 0 HA ILE A 103 123.256 14.335 14.906 1.00 0.00 H new ATOM 0 HB ILE A 103 124.162 13.801 12.049 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.387 13.636 13.327 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.900 14.886 12.211 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.406 11.486 12.558 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.703 11.992 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.012 11.982 14.221 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.664 13.095 11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 103 122.356 13.159 10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.835 11.889 11.598 1.00 0.00 H new ATOM 1598 N SER A 104 125.660 13.916 15.555 1.00 0.00 N ATOM 1599 CA SER A 104 127.093 13.734 15.939 1.00 0.00 C ATOM 1600 C SER A 104 127.265 12.409 16.685 1.00 0.00 C ATOM 1601 O SER A 104 127.798 12.366 17.775 1.00 0.00 O ATOM 1602 CB SER A 104 127.522 14.889 16.845 1.00 0.00 C ATOM 1603 OG SER A 104 127.201 16.123 16.216 1.00 0.00 O ATOM 0 H SER A 104 124.982 13.638 16.264 1.00 0.00 H new ATOM 0 HA SER A 104 127.710 13.722 15.041 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.018 14.817 17.809 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.593 14.835 17.040 1.00 0.00 H new ATOM 0 HG SER A 104 127.473 16.866 16.795 1.00 0.00 H new ATOM 1609 N ASP A 105 126.812 11.327 16.111 1.00 0.00 N ATOM 1610 CA ASP A 105 126.949 10.010 16.794 1.00 0.00 C ATOM 1611 C ASP A 105 127.170 8.904 15.760 1.00 0.00 C ATOM 1612 O ASP A 105 126.747 9.006 14.630 1.00 0.00 O ATOM 1613 CB ASP A 105 125.674 9.717 17.588 1.00 0.00 C ATOM 1614 CG ASP A 105 125.845 8.410 18.366 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.963 7.930 18.443 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.852 7.911 18.870 1.00 0.00 O ATOM 0 H ASP A 105 126.354 11.299 15.200 1.00 0.00 H new ATOM 0 HA ASP A 105 127.805 10.043 17.468 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.465 10.537 18.275 1.00 0.00 H new ATOM 0 HB3 ASP A 105 124.822 9.642 16.913 1.00 0.00 H new ATOM 1621 N ASN A 106 127.818 7.840 16.150 1.00 0.00 N ATOM 1622 CA ASN A 106 128.060 6.710 15.206 1.00 0.00 C ATOM 1623 C ASN A 106 126.916 5.700 15.337 1.00 0.00 C ATOM 1624 O ASN A 106 127.109 4.509 15.223 1.00 0.00 O ATOM 1625 CB ASN A 106 129.379 6.016 15.558 1.00 0.00 C ATOM 1626 CG ASN A 106 130.556 6.923 15.197 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.413 7.843 14.417 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.722 6.700 15.737 1.00 0.00 N ATOM 0 H ASN A 106 128.193 7.704 17.089 1.00 0.00 H new ATOM 0 HA ASN A 106 128.111 7.092 14.186 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.403 5.780 16.622 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.458 5.071 15.020 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.515 7.298 15.504 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.841 5.927 16.392 1.00 0.00 H new ATOM 1635 N TRP A 107 125.732 6.167 15.617 1.00 0.00 N ATOM 1636 CA TRP A 107 124.583 5.231 15.799 1.00 0.00 C ATOM 1637 C TRP A 107 124.276 4.499 14.491 1.00 0.00 C ATOM 1638 O TRP A 107 124.574 4.968 13.410 1.00 0.00 O ATOM 1639 CB TRP A 107 123.344 6.015 16.243 1.00 0.00 C ATOM 1640 CG TRP A 107 122.879 6.911 15.139 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.579 7.955 14.634 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.620 6.876 14.406 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.837 8.553 13.636 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.621 7.927 13.457 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.489 6.042 14.468 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.541 8.143 12.602 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.401 6.259 13.610 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.426 7.304 12.681 1.00 0.00 C ATOM 0 H TRP A 107 125.508 7.156 15.728 1.00 0.00 H new ATOM 0 HA TRP A 107 124.849 4.499 16.561 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.548 5.325 16.521 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.577 6.607 17.128 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.560 8.269 14.960 1.00 0.00 H new ATOM 0 HE1 TRP A 107 123.150 9.360 13.096 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.458 5.230 15.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.566 8.951 11.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.537 5.614 13.667 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.583 7.463 12.024 1.00 0.00 H new ATOM 1659 N LYS A 108 123.694 3.335 14.596 1.00 0.00 N ATOM 1660 CA LYS A 108 123.367 2.534 13.383 1.00 0.00 C ATOM 1661 C LYS A 108 122.061 1.778 13.627 1.00 0.00 C ATOM 1662 O LYS A 108 121.734 1.437 14.748 1.00 0.00 O ATOM 1663 CB LYS A 108 124.494 1.528 13.121 1.00 0.00 C ATOM 1664 CG LYS A 108 124.165 0.698 11.876 1.00 0.00 C ATOM 1665 CD LYS A 108 125.280 -0.321 11.630 1.00 0.00 C ATOM 1666 CE LYS A 108 124.958 -1.142 10.378 1.00 0.00 C ATOM 1667 NZ LYS A 108 124.555 -0.225 9.274 1.00 0.00 N ATOM 0 H LYS A 108 123.429 2.901 15.480 1.00 0.00 H new ATOM 0 HA LYS A 108 123.259 3.192 12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.439 2.054 12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.619 0.874 13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 108 123.213 0.185 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 108 124.057 1.350 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.234 0.191 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.382 -0.979 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 108 125.828 -1.727 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 108 124.156 -1.849 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 123.588 -0.455 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 124.586 0.758 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 125.209 -0.338 8.473 1.00 0.00 H new ATOM 1681 N PHE A 109 121.313 1.497 12.590 1.00 0.00 N ATOM 1682 CA PHE A 109 120.038 0.746 12.783 1.00 0.00 C ATOM 1683 C PHE A 109 119.689 0.031 11.475 1.00 0.00 C ATOM 1684 O PHE A 109 120.247 0.328 10.433 1.00 0.00 O ATOM 1685 CB PHE A 109 118.919 1.716 13.175 1.00 0.00 C ATOM 1686 CG PHE A 109 118.480 2.518 11.974 1.00 0.00 C ATOM 1687 CD1 PHE A 109 117.452 2.039 11.154 1.00 0.00 C ATOM 1688 CD2 PHE A 109 119.092 3.743 11.687 1.00 0.00 C ATOM 1689 CE1 PHE A 109 117.034 2.785 10.047 1.00 0.00 C ATOM 1690 CE2 PHE A 109 118.674 4.490 10.578 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.644 4.010 9.758 1.00 0.00 C ATOM 0 H PHE A 109 121.528 1.753 11.626 1.00 0.00 H new ATOM 0 HA PHE A 109 120.152 0.012 13.581 1.00 0.00 H new ATOM 0 HB2 PHE A 109 118.073 1.162 13.580 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.267 2.386 13.961 1.00 0.00 H new ATOM 0 HD1 PHE A 109 116.981 1.093 11.376 1.00 0.00 H new ATOM 0 HD2 PHE A 109 119.886 4.112 12.320 1.00 0.00 H new ATOM 0 HE1 PHE A 109 116.240 2.415 9.415 1.00 0.00 H new ATOM 0 HE2 PHE A 109 119.146 5.436 10.355 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.321 4.586 8.903 1.00 0.00 H new ATOM 1701 N PHE A 110 118.791 -0.922 11.505 1.00 0.00 N ATOM 1702 CA PHE A 110 118.458 -1.643 10.243 1.00 0.00 C ATOM 1703 C PHE A 110 117.046 -2.235 10.280 1.00 0.00 C ATOM 1704 O PHE A 110 116.474 -2.462 11.324 1.00 0.00 O ATOM 1705 CB PHE A 110 119.473 -2.774 10.043 1.00 0.00 C ATOM 1706 CG PHE A 110 119.626 -3.553 11.329 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.402 -3.036 12.372 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.992 -4.794 11.478 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.547 -3.757 13.562 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.140 -5.517 12.671 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.916 -4.997 13.712 1.00 0.00 C ATOM 0 H PHE A 110 118.283 -1.227 12.335 1.00 0.00 H new ATOM 0 HA PHE A 110 118.499 -0.930 9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.142 -3.436 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.435 -2.363 9.739 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.890 -2.079 12.258 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.390 -5.193 10.675 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.147 -3.356 14.366 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.655 -6.475 12.786 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.028 -5.552 14.631 1.00 0.00 H new ATOM 1721 N CYS A 111 116.501 -2.505 9.120 1.00 0.00 N ATOM 1722 CA CYS A 111 115.139 -3.113 9.022 1.00 0.00 C ATOM 1723 C CYS A 111 115.265 -4.410 8.221 1.00 0.00 C ATOM 1724 O CYS A 111 116.195 -4.575 7.461 1.00 0.00 O ATOM 1725 CB CYS A 111 114.191 -2.159 8.291 1.00 0.00 C ATOM 1726 SG CYS A 111 113.822 -0.731 9.342 1.00 0.00 S ATOM 0 H CYS A 111 116.951 -2.326 8.222 1.00 0.00 H new ATOM 0 HA CYS A 111 114.741 -3.307 10.018 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.644 -1.827 7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.268 -2.678 8.031 1.00 0.00 H new ATOM 1731 N VAL A 112 114.361 -5.340 8.387 1.00 0.00 N ATOM 1732 CA VAL A 112 114.480 -6.629 7.631 1.00 0.00 C ATOM 1733 C VAL A 112 113.177 -6.985 6.911 1.00 0.00 C ATOM 1734 O VAL A 112 112.093 -6.828 7.432 1.00 0.00 O ATOM 1735 CB VAL A 112 114.840 -7.750 8.603 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.671 -9.101 7.904 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.296 -7.588 9.049 1.00 0.00 C ATOM 0 H VAL A 112 113.553 -5.268 9.005 1.00 0.00 H new ATOM 0 HA VAL A 112 115.260 -6.509 6.879 1.00 0.00 H new ATOM 0 HB VAL A 112 114.185 -7.704 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.927 -9.903 8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.636 -9.217 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.329 -9.146 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.555 -8.387 9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.951 -7.637 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.420 -6.624 9.543 1.00 0.00 H new ATOM 1747 N CYS A 113 113.299 -7.513 5.718 1.00 0.00 N ATOM 1748 CA CYS A 113 112.111 -7.953 4.932 1.00 0.00 C ATOM 1749 C CYS A 113 112.307 -9.440 4.622 1.00 0.00 C ATOM 1750 O CYS A 113 113.371 -9.844 4.196 1.00 0.00 O ATOM 1751 CB CYS A 113 112.034 -7.168 3.620 1.00 0.00 C ATOM 1752 SG CYS A 113 111.373 -5.511 3.930 1.00 0.00 S ATOM 0 H CYS A 113 114.193 -7.659 5.249 1.00 0.00 H new ATOM 0 HA CYS A 113 111.191 -7.782 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 113 113.025 -7.096 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.399 -7.695 2.908 1.00 0.00 H new ATOM 1757 N SER A 114 111.323 -10.278 4.843 1.00 0.00 N ATOM 1758 CA SER A 114 111.544 -11.726 4.564 1.00 0.00 C ATOM 1759 C SER A 114 110.244 -12.529 4.690 1.00 0.00 C ATOM 1760 O SER A 114 109.190 -12.009 5.009 1.00 0.00 O ATOM 1761 CB SER A 114 112.552 -12.273 5.573 1.00 0.00 C ATOM 1762 OG SER A 114 111.976 -12.228 6.873 1.00 0.00 O ATOM 0 H SER A 114 110.399 -10.028 5.196 1.00 0.00 H new ATOM 0 HA SER A 114 111.913 -11.824 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.824 -13.297 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.469 -11.684 5.547 1.00 0.00 H new ATOM 0 HG SER A 114 112.616 -12.579 7.527 1.00 0.00 H new ATOM 1768 N LYS A 115 110.342 -13.810 4.442 1.00 0.00 N ATOM 1769 CA LYS A 115 109.169 -14.722 4.552 1.00 0.00 C ATOM 1770 C LYS A 115 109.691 -16.125 4.871 1.00 0.00 C ATOM 1771 O LYS A 115 110.869 -16.392 4.762 1.00 0.00 O ATOM 1772 CB LYS A 115 108.387 -14.772 3.236 1.00 0.00 C ATOM 1773 CG LYS A 115 107.535 -13.512 3.076 1.00 0.00 C ATOM 1774 CD LYS A 115 106.431 -13.776 2.046 1.00 0.00 C ATOM 1775 CE LYS A 115 107.040 -14.386 0.782 1.00 0.00 C ATOM 1776 NZ LYS A 115 107.183 -15.859 0.958 1.00 0.00 N ATOM 0 H LYS A 115 111.208 -14.270 4.161 1.00 0.00 H new ATOM 0 HA LYS A 115 108.502 -14.358 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.078 -14.861 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.749 -15.655 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.096 -13.232 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.157 -12.677 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.684 -14.451 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.918 -12.846 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 115 106.407 -14.172 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 115 108.013 -13.937 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 107.199 -16.320 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 108.070 -16.064 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 106.380 -16.222 1.510 1.00 0.00 H new ATOM 1790 N ASP A 116 108.836 -17.028 5.257 1.00 0.00 N ATOM 1791 CA ASP A 116 109.314 -18.407 5.562 1.00 0.00 C ATOM 1792 C ASP A 116 109.986 -18.989 4.315 1.00 0.00 C ATOM 1793 O ASP A 116 109.654 -18.631 3.204 1.00 0.00 O ATOM 1794 CB ASP A 116 108.126 -19.282 5.966 1.00 0.00 C ATOM 1795 CG ASP A 116 107.650 -18.879 7.363 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.392 -18.189 8.044 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.553 -19.265 7.730 1.00 0.00 O ATOM 0 H ASP A 116 107.834 -16.875 5.374 1.00 0.00 H new ATOM 0 HA ASP A 116 110.030 -18.377 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.315 -19.168 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.415 -20.333 5.957 1.00 0.00 H new ATOM 1802 N ASN A 117 110.920 -19.886 4.492 1.00 0.00 N ATOM 1803 CA ASN A 117 111.611 -20.494 3.312 1.00 0.00 C ATOM 1804 C ASN A 117 111.866 -19.419 2.254 1.00 0.00 C ATOM 1805 O ASN A 117 111.417 -19.537 1.135 1.00 0.00 O ATOM 1806 CB ASN A 117 110.733 -21.594 2.711 1.00 0.00 C ATOM 1807 CG ASN A 117 111.536 -22.380 1.671 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.668 -22.046 1.383 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.995 -23.418 1.097 1.00 0.00 N ATOM 0 H ASN A 117 111.235 -20.225 5.401 1.00 0.00 H new ATOM 0 HA ASN A 117 112.561 -20.921 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.382 -22.263 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.849 -21.156 2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.522 -23.951 0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 117 110.045 -23.697 1.340 1.00 0.00 H new ATOM 1816 N GLU A 118 112.602 -18.384 2.590 1.00 0.00 N ATOM 1817 CA GLU A 118 112.876 -17.302 1.596 1.00 0.00 C ATOM 1818 C GLU A 118 114.128 -16.515 1.990 1.00 0.00 C ATOM 1819 O GLU A 118 114.351 -16.230 3.147 1.00 0.00 O ATOM 1820 CB GLU A 118 111.681 -16.331 1.549 1.00 0.00 C ATOM 1821 CG GLU A 118 110.537 -16.918 0.718 1.00 0.00 C ATOM 1822 CD GLU A 118 111.029 -17.167 -0.711 1.00 0.00 C ATOM 1823 OE1 GLU A 118 112.005 -16.543 -1.093 1.00 0.00 O ATOM 1824 OE2 GLU A 118 110.435 -17.989 -1.389 1.00 0.00 O ATOM 0 H GLU A 118 113.023 -18.244 3.509 1.00 0.00 H new ATOM 0 HA GLU A 118 113.030 -17.762 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.333 -16.126 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.996 -15.379 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 118 110.189 -17.850 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.689 -16.233 0.709 1.00 0.00 H new ATOM 1831 N LYS A 119 114.948 -16.160 1.030 1.00 0.00 N ATOM 1832 CA LYS A 119 116.186 -15.393 1.353 1.00 0.00 C ATOM 1833 C LYS A 119 115.804 -14.160 2.177 1.00 0.00 C ATOM 1834 O LYS A 119 114.796 -13.529 1.930 1.00 0.00 O ATOM 1835 CB LYS A 119 116.855 -14.945 0.049 1.00 0.00 C ATOM 1836 CG LYS A 119 117.200 -16.168 -0.809 1.00 0.00 C ATOM 1837 CD LYS A 119 118.279 -16.998 -0.110 1.00 0.00 C ATOM 1838 CE LYS A 119 118.977 -17.901 -1.131 1.00 0.00 C ATOM 1839 NZ LYS A 119 120.130 -17.172 -1.730 1.00 0.00 N ATOM 0 H LYS A 119 114.812 -16.369 0.041 1.00 0.00 H new ATOM 0 HA LYS A 119 116.875 -16.018 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.189 -14.280 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.760 -14.379 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 119 116.309 -16.774 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.551 -15.849 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.006 -16.340 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 119 117.832 -17.603 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.322 -18.815 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.275 -18.197 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.605 -17.784 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 119.788 -16.312 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 120.803 -16.911 -0.981 1.00 0.00 H new ATOM 1853 N LYS A 120 116.595 -13.824 3.166 1.00 0.00 N ATOM 1854 CA LYS A 120 116.257 -12.643 4.015 1.00 0.00 C ATOM 1855 C LYS A 120 116.940 -11.382 3.475 1.00 0.00 C ATOM 1856 O LYS A 120 118.085 -11.407 3.067 1.00 0.00 O ATOM 1857 CB LYS A 120 116.709 -12.901 5.456 1.00 0.00 C ATOM 1858 CG LYS A 120 118.054 -13.631 5.458 1.00 0.00 C ATOM 1859 CD LYS A 120 118.519 -13.854 6.901 1.00 0.00 C ATOM 1860 CE LYS A 120 119.134 -12.563 7.450 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.784 -12.840 8.760 1.00 0.00 N ATOM 0 H LYS A 120 117.453 -14.313 3.420 1.00 0.00 H new ATOM 0 HA LYS A 120 115.178 -12.491 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.797 -11.957 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.961 -13.497 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.960 -14.588 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.796 -13.048 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 120 117.677 -14.160 7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 120 119.251 -14.661 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 120 119.866 -12.168 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.363 -11.802 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 120.202 -11.963 9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 119.074 -13.198 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 120.531 -13.552 8.633 1.00 0.00 H new ATOM 1875 N LEU A 121 116.238 -10.276 3.477 1.00 0.00 N ATOM 1876 CA LEU A 121 116.833 -9.001 2.972 1.00 0.00 C ATOM 1877 C LEU A 121 117.059 -8.054 4.155 1.00 0.00 C ATOM 1878 O LEU A 121 116.140 -7.735 4.879 1.00 0.00 O ATOM 1879 CB LEU A 121 115.864 -8.351 1.980 1.00 0.00 C ATOM 1880 CG LEU A 121 115.522 -9.344 0.866 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.427 -8.755 -0.026 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.768 -9.615 0.022 1.00 0.00 C ATOM 0 H LEU A 121 115.276 -10.201 3.808 1.00 0.00 H new ATOM 0 HA LEU A 121 117.782 -9.205 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.955 -8.041 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.312 -7.453 1.555 1.00 0.00 H new ATOM 0 HG LEU A 121 115.171 -10.276 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.184 -9.462 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.537 -8.560 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.779 -7.823 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.524 -10.322 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.119 -8.682 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.551 -10.034 0.654 1.00 0.00 H new ATOM 1894 N VAL A 122 118.274 -7.607 4.367 1.00 0.00 N ATOM 1895 CA VAL A 122 118.541 -6.693 5.521 1.00 0.00 C ATOM 1896 C VAL A 122 118.789 -5.261 5.030 1.00 0.00 C ATOM 1897 O VAL A 122 119.600 -5.017 4.162 1.00 0.00 O ATOM 1898 CB VAL A 122 119.779 -7.184 6.277 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.241 -6.101 7.257 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.440 -8.464 7.056 1.00 0.00 C ATOM 0 H VAL A 122 119.087 -7.834 3.794 1.00 0.00 H new ATOM 0 HA VAL A 122 117.671 -6.695 6.178 1.00 0.00 H new ATOM 0 HB VAL A 122 120.574 -7.397 5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 122 121.122 -6.450 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.488 -5.193 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.442 -5.888 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.324 -8.809 7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.642 -8.256 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 122 119.113 -9.237 6.361 1.00 0.00 H new ATOM 1910 N PHE A 123 118.101 -4.315 5.606 1.00 0.00 N ATOM 1911 CA PHE A 123 118.292 -2.887 5.221 1.00 0.00 C ATOM 1912 C PHE A 123 119.048 -2.199 6.356 1.00 0.00 C ATOM 1913 O PHE A 123 118.577 -2.168 7.468 1.00 0.00 O ATOM 1914 CB PHE A 123 116.915 -2.237 5.037 1.00 0.00 C ATOM 1915 CG PHE A 123 117.039 -0.733 5.068 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.331 -0.031 3.896 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.855 -0.042 6.272 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.439 1.361 3.929 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.965 1.353 6.303 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.256 2.056 5.131 1.00 0.00 C ATOM 0 H PHE A 123 117.406 -4.472 6.336 1.00 0.00 H new ATOM 0 HA PHE A 123 118.853 -2.799 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.479 -2.554 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.240 -2.570 5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 123 117.473 -0.563 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.628 -0.586 7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 123 117.665 1.904 3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.825 1.886 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.340 3.133 5.152 1.00 0.00 H new ATOM 1930 N THR A 124 120.221 -1.668 6.104 1.00 0.00 N ATOM 1931 CA THR A 124 120.987 -1.021 7.218 1.00 0.00 C ATOM 1932 C THR A 124 121.605 0.317 6.793 1.00 0.00 C ATOM 1933 O THR A 124 122.154 0.466 5.713 1.00 0.00 O ATOM 1934 CB THR A 124 122.099 -1.974 7.670 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.597 -1.548 8.930 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.230 -1.970 6.644 1.00 0.00 C ATOM 0 H THR A 124 120.676 -1.654 5.191 1.00 0.00 H new ATOM 0 HA THR A 124 120.293 -0.817 8.033 1.00 0.00 H new ATOM 0 HB THR A 124 121.699 -2.984 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.971 -0.909 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 124 124.019 -2.649 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.846 -2.296 5.678 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.634 -0.962 6.552 1.00 0.00 H new ATOM 1944 N VAL A 125 121.563 1.279 7.683 1.00 0.00 N ATOM 1945 CA VAL A 125 122.175 2.606 7.405 1.00 0.00 C ATOM 1946 C VAL A 125 122.948 3.043 8.655 1.00 0.00 C ATOM 1947 O VAL A 125 122.666 2.592 9.753 1.00 0.00 O ATOM 1948 CB VAL A 125 121.083 3.628 7.076 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.073 3.004 6.112 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.364 4.046 8.361 1.00 0.00 C ATOM 0 H VAL A 125 121.124 1.195 8.600 1.00 0.00 H new ATOM 0 HA VAL A 125 122.848 2.541 6.550 1.00 0.00 H new ATOM 0 HB VAL A 125 121.538 4.504 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.296 3.732 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.581 2.708 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.621 2.127 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.588 4.773 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.911 3.170 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.081 4.493 9.050 1.00 0.00 H new ATOM 1960 N GLU A 126 123.919 3.912 8.509 1.00 0.00 N ATOM 1961 CA GLU A 126 124.704 4.356 9.701 1.00 0.00 C ATOM 1962 C GLU A 126 124.912 5.873 9.665 1.00 0.00 C ATOM 1963 O GLU A 126 124.889 6.493 8.618 1.00 0.00 O ATOM 1964 CB GLU A 126 126.065 3.658 9.696 1.00 0.00 C ATOM 1965 CG GLU A 126 126.860 4.076 10.934 1.00 0.00 C ATOM 1966 CD GLU A 126 128.189 3.319 10.969 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.526 2.706 9.970 1.00 0.00 O ATOM 1968 OE2 GLU A 126 128.847 3.365 11.996 1.00 0.00 O ATOM 0 H GLU A 126 124.200 4.330 7.622 1.00 0.00 H new ATOM 0 HA GLU A 126 124.155 4.096 10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 126 125.930 2.576 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.616 3.919 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.042 5.151 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.286 3.865 11.836 1.00 0.00 H new ATOM 1975 N ALA A 127 125.122 6.472 10.808 1.00 0.00 N ATOM 1976 CA ALA A 127 125.340 7.945 10.852 1.00 0.00 C ATOM 1977 C ALA A 127 125.973 8.324 12.192 1.00 0.00 C ATOM 1978 O ALA A 127 126.613 9.362 12.250 1.00 0.00 O ATOM 1979 CB ALA A 127 124.000 8.668 10.700 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.804 7.568 13.138 1.00 0.00 O ATOM 0 H ALA A 127 125.152 6.003 11.713 1.00 0.00 H new ATOM 0 HA ALA A 127 126.003 8.238 10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.162 9.745 10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.547 8.398 9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.335 8.376 11.513 1.00 0.00 H new