USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 974 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 41 ASN : amide:sc= -0.217 X(o=-0.075,f=-0.16) USER MOD Set 1.2: A 43 SER OG : rot 73:sc= 0.141 USER MOD Set 2.1: A 27 ASN : amide:sc= -0.223 X(o=-0.48,f=-0.00032) USER MOD Set 2.2: A 36 GLN : amide:sc= -0.257 X(o=-0.48,f=-0.00032) USER MOD Set 3.1: A 17 ASN : amide:sc= 0.389 K(o=1.5,f=-7!) USER MOD Set 3.2: A 19 SER OG : rot -89:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -110:sc= -0.203 (180deg=-2.01!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 9 SER OG : rot -112:sc= -1.19! USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -141:sc= 0.0803 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0436 K(o=-0.044,f=-2.3!) USER MOD Single : A 16 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.821 USER MOD Single : A 30 SER OG : rot 180:sc=-0.00332 USER MOD Single : A 31 SER OG : rot -41:sc= -0.596 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.95 (180deg=-0.997) USER MOD Single : A 46 SER OG : rot 31:sc= 0.873 USER MOD Single : A 49 THR OG1 : rot -81:sc= -0.0289 USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0697) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 1.03 (180deg=-0.186) USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0686) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0475) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -140:sc=-0.00125 USER MOD Single : A 73 SER OG : rot -52:sc= 0.0169 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.04 K(o=-1,f=-5.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 122:sc= 1.36 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00391) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00713) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 25:sc= 0.0404 USER MOD Single : A 104 ASN : amide:sc=-0.00622 K(o=-0.0062,f=-0.74) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 154:sc= -0.0185 (180deg=-0.0927) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00462) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 120.604 13.720 -10.177 1.00 0.00 N ATOM 2 CA GLY A -3 121.523 13.614 -9.008 1.00 0.00 C ATOM 3 C GLY A -3 120.931 12.650 -7.978 1.00 0.00 C ATOM 4 O GLY A -3 120.106 11.816 -8.302 1.00 0.00 O ATOM 0 H1 GLY A -3 121.161 13.764 -11.054 1.00 0.00 H new ATOM 0 H2 GLY A -3 119.980 12.888 -10.205 1.00 0.00 H new ATOM 0 H3 GLY A -3 120.028 14.582 -10.089 1.00 0.00 H new ATOM 0 HA2 GLY A -3 122.502 13.260 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A -3 121.672 14.596 -8.559 1.00 0.00 H new ATOM 10 N ALA A -2 121.348 12.761 -6.740 1.00 0.00 N ATOM 11 CA ALA A -2 120.815 11.854 -5.676 1.00 0.00 C ATOM 12 C ALA A -2 119.557 12.461 -5.048 1.00 0.00 C ATOM 13 O ALA A -2 119.619 13.470 -4.369 1.00 0.00 O ATOM 14 CB ALA A -2 121.935 11.748 -4.640 1.00 0.00 C ATOM 0 H ALA A -2 122.036 13.442 -6.420 1.00 0.00 H new ATOM 0 HA ALA A -2 120.535 10.877 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A -2 121.617 11.097 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A -2 122.827 11.333 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A -2 122.160 12.739 -4.245 1.00 0.00 H new ATOM 20 N MET A -1 118.418 11.850 -5.270 1.00 0.00 N ATOM 21 CA MET A -1 117.142 12.384 -4.690 1.00 0.00 C ATOM 22 C MET A -1 117.159 12.261 -3.163 1.00 0.00 C ATOM 23 O MET A -1 116.655 13.118 -2.460 1.00 0.00 O ATOM 24 CB MET A -1 116.028 11.518 -5.284 1.00 0.00 C ATOM 25 CG MET A -1 115.925 11.776 -6.788 1.00 0.00 C ATOM 26 SD MET A -1 114.519 10.857 -7.463 1.00 0.00 S ATOM 27 CE MET A -1 114.759 11.319 -9.196 1.00 0.00 C ATOM 0 H MET A -1 118.315 11.003 -5.829 1.00 0.00 H new ATOM 0 HA MET A -1 117.001 13.439 -4.924 1.00 0.00 H new ATOM 0 HB2 MET A -1 116.235 10.464 -5.099 1.00 0.00 H new ATOM 0 HB3 MET A -1 115.079 11.746 -4.800 1.00 0.00 H new ATOM 0 HG2 MET A -1 115.801 12.842 -6.977 1.00 0.00 H new ATOM 0 HG3 MET A -1 116.846 11.469 -7.284 1.00 0.00 H new ATOM 0 HE1 MET A -1 113.986 10.853 -9.807 1.00 0.00 H new ATOM 0 HE2 MET A -1 114.697 12.403 -9.296 1.00 0.00 H new ATOM 0 HE3 MET A -1 115.739 10.980 -9.531 1.00 0.00 H new ATOM 37 N GLY A 0 117.736 11.202 -2.650 1.00 0.00 N ATOM 38 CA GLY A 0 117.790 11.009 -1.171 1.00 0.00 C ATOM 39 C GLY A 0 116.414 10.573 -0.663 1.00 0.00 C ATOM 40 O GLY A 0 115.962 11.015 0.378 1.00 0.00 O ATOM 0 H GLY A 0 118.174 10.460 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 0 118.538 10.257 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.093 11.936 -0.683 1.00 0.00 H new ATOM 44 N MET A 1 115.750 9.709 -1.392 1.00 0.00 N ATOM 45 CA MET A 1 114.390 9.253 -0.974 1.00 0.00 C ATOM 46 C MET A 1 114.471 7.871 -0.317 1.00 0.00 C ATOM 47 O MET A 1 115.461 7.174 -0.443 1.00 0.00 O ATOM 48 CB MET A 1 113.580 9.183 -2.269 1.00 0.00 C ATOM 49 CG MET A 1 113.356 10.597 -2.807 1.00 0.00 C ATOM 50 SD MET A 1 112.302 10.524 -4.276 1.00 0.00 S ATOM 51 CE MET A 1 112.398 12.278 -4.712 1.00 0.00 C ATOM 0 H MET A 1 116.094 9.300 -2.261 1.00 0.00 H new ATOM 0 HA MET A 1 113.937 9.924 -0.245 1.00 0.00 H new ATOM 0 HB2 MET A 1 114.108 8.580 -3.008 1.00 0.00 H new ATOM 0 HB3 MET A 1 112.622 8.696 -2.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 112.890 11.219 -2.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 114.312 11.059 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 111.433 12.752 -4.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 113.162 12.763 -4.104 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.657 12.377 -5.766 1.00 0.00 H new ATOM 61 N SER A 2 113.435 7.477 0.384 1.00 0.00 N ATOM 62 CA SER A 2 113.438 6.149 1.066 1.00 0.00 C ATOM 63 C SER A 2 112.436 5.206 0.392 1.00 0.00 C ATOM 64 O SER A 2 111.543 5.640 -0.312 1.00 0.00 O ATOM 65 CB SER A 2 113.014 6.441 2.504 1.00 0.00 C ATOM 66 OG SER A 2 113.944 7.341 3.093 1.00 0.00 O ATOM 0 H SER A 2 112.583 8.023 0.512 1.00 0.00 H new ATOM 0 HA SER A 2 114.413 5.663 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.013 6.872 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.972 5.516 3.078 1.00 0.00 H new ATOM 0 HG SER A 2 113.675 7.532 4.016 1.00 0.00 H new ATOM 72 N VAL A 3 112.580 3.919 0.606 1.00 0.00 N ATOM 73 CA VAL A 3 111.644 2.928 -0.027 1.00 0.00 C ATOM 74 C VAL A 3 110.209 3.158 0.475 1.00 0.00 C ATOM 75 O VAL A 3 109.251 2.912 -0.234 1.00 0.00 O ATOM 76 CB VAL A 3 112.155 1.540 0.399 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.271 0.446 -0.213 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.595 1.346 -0.087 1.00 0.00 C ATOM 0 H VAL A 3 113.307 3.509 1.193 1.00 0.00 H new ATOM 0 HA VAL A 3 111.621 3.026 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 3 112.120 1.472 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.639 -0.533 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.245 0.572 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.300 0.521 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.952 0.362 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.626 1.423 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.233 2.114 0.350 1.00 0.00 H new ATOM 88 N ALA A 4 110.061 3.628 1.693 1.00 0.00 N ATOM 89 CA ALA A 4 108.690 3.881 2.251 1.00 0.00 C ATOM 90 C ALA A 4 107.950 4.926 1.406 1.00 0.00 C ATOM 91 O ALA A 4 106.738 4.893 1.288 1.00 0.00 O ATOM 92 CB ALA A 4 108.918 4.409 3.670 1.00 0.00 C ATOM 0 H ALA A 4 110.830 3.848 2.326 1.00 0.00 H new ATOM 0 HA ALA A 4 108.080 2.978 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.957 4.616 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.454 3.661 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.506 5.326 3.627 1.00 0.00 H new ATOM 98 N ASP A 5 108.674 5.850 0.819 1.00 0.00 N ATOM 99 CA ASP A 5 108.027 6.878 -0.062 1.00 0.00 C ATOM 100 C ASP A 5 107.421 6.209 -1.301 1.00 0.00 C ATOM 101 O ASP A 5 106.353 6.579 -1.754 1.00 0.00 O ATOM 102 CB ASP A 5 109.152 7.836 -0.469 1.00 0.00 C ATOM 103 CG ASP A 5 109.601 8.649 0.748 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.745 8.064 1.809 1.00 0.00 O ATOM 105 OD2 ASP A 5 109.795 9.844 0.597 1.00 0.00 O ATOM 0 H ASP A 5 109.686 5.938 0.911 1.00 0.00 H new ATOM 0 HA ASP A 5 107.218 7.400 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.993 7.274 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.807 8.504 -1.258 1.00 0.00 H new ATOM 110 N PHE A 6 108.099 5.227 -1.848 1.00 0.00 N ATOM 111 CA PHE A 6 107.556 4.504 -3.044 1.00 0.00 C ATOM 112 C PHE A 6 106.325 3.680 -2.651 1.00 0.00 C ATOM 113 O PHE A 6 105.422 3.491 -3.444 1.00 0.00 O ATOM 114 CB PHE A 6 108.687 3.591 -3.520 1.00 0.00 C ATOM 115 CG PHE A 6 109.856 4.341 -4.114 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.925 4.757 -3.283 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.884 4.627 -5.501 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.021 5.461 -3.840 1.00 0.00 C ATOM 119 CE2 PHE A 6 110.981 5.330 -6.057 1.00 0.00 C ATOM 120 CZ PHE A 6 112.050 5.747 -5.226 1.00 0.00 C ATOM 0 H PHE A 6 109.005 4.895 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 6 107.241 5.193 -3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.039 2.993 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.295 2.897 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.905 4.538 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.069 4.309 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.835 5.780 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.002 5.548 -7.115 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.887 6.283 -5.650 1.00 0.00 H new ATOM 130 N TYR A 7 106.287 3.189 -1.434 1.00 0.00 N ATOM 131 CA TYR A 7 105.083 2.430 -0.959 1.00 0.00 C ATOM 132 C TYR A 7 103.863 3.357 -0.902 1.00 0.00 C ATOM 133 O TYR A 7 103.903 4.411 -0.293 1.00 0.00 O ATOM 134 CB TYR A 7 105.443 1.928 0.447 1.00 0.00 C ATOM 135 CG TYR A 7 106.032 0.532 0.480 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.903 0.091 -0.550 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.718 -0.335 1.555 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.458 -1.211 -0.500 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.271 -1.637 1.602 1.00 0.00 C ATOM 140 CZ TYR A 7 107.141 -2.074 0.575 1.00 0.00 C ATOM 141 OH TYR A 7 107.684 -3.341 0.628 1.00 0.00 O ATOM 0 H TYR A 7 107.037 3.281 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 7 104.830 1.607 -1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.155 2.621 0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.547 1.946 1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.143 0.749 -1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.055 -0.002 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.123 -1.545 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.029 -2.297 2.422 1.00 0.00 H new ATOM 0 HH TYR A 7 107.364 -3.801 1.432 1.00 0.00 H new ATOM 151 N GLY A 8 102.784 2.968 -1.534 1.00 0.00 N ATOM 152 CA GLY A 8 101.564 3.830 -1.553 1.00 0.00 C ATOM 153 C GLY A 8 101.587 4.777 -2.766 1.00 0.00 C ATOM 154 O GLY A 8 100.685 5.577 -2.940 1.00 0.00 O ATOM 0 H GLY A 8 102.696 2.086 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.672 3.205 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.509 4.411 -0.632 1.00 0.00 H new ATOM 158 N SER A 9 102.602 4.700 -3.603 1.00 0.00 N ATOM 159 CA SER A 9 102.647 5.581 -4.813 1.00 0.00 C ATOM 160 C SER A 9 101.902 4.918 -5.975 1.00 0.00 C ATOM 161 O SER A 9 101.850 3.706 -6.074 1.00 0.00 O ATOM 162 CB SER A 9 104.133 5.738 -5.143 1.00 0.00 C ATOM 163 OG SER A 9 104.641 4.507 -5.643 1.00 0.00 O ATOM 0 H SER A 9 103.395 4.067 -3.498 1.00 0.00 H new ATOM 0 HA SER A 9 102.170 6.545 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.271 6.527 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.685 6.036 -4.252 1.00 0.00 H new ATOM 0 HG SER A 9 105.277 4.130 -4.999 1.00 0.00 H new ATOM 169 N ASN A 10 101.326 5.705 -6.852 1.00 0.00 N ATOM 170 CA ASN A 10 100.612 5.127 -8.030 1.00 0.00 C ATOM 171 C ASN A 10 101.532 5.128 -9.252 1.00 0.00 C ATOM 172 O ASN A 10 101.920 6.171 -9.747 1.00 0.00 O ATOM 173 CB ASN A 10 99.415 6.050 -8.264 1.00 0.00 C ATOM 174 CG ASN A 10 98.348 5.312 -9.076 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.664 4.516 -9.938 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.087 5.544 -8.834 1.00 0.00 N ATOM 0 H ASN A 10 101.321 6.724 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 10 100.303 4.096 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.000 6.374 -7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.733 6.948 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.367 5.057 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.821 6.212 -8.111 1.00 0.00 H new ATOM 183 N VAL A 11 101.880 3.963 -9.735 1.00 0.00 N ATOM 184 CA VAL A 11 102.743 3.870 -10.953 1.00 0.00 C ATOM 185 C VAL A 11 102.104 2.915 -11.963 1.00 0.00 C ATOM 186 O VAL A 11 101.222 2.149 -11.624 1.00 0.00 O ATOM 187 CB VAL A 11 104.098 3.325 -10.466 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.733 4.321 -9.493 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.908 1.978 -9.754 1.00 0.00 C ATOM 0 H VAL A 11 101.602 3.066 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 11 102.864 4.834 -11.448 1.00 0.00 H new ATOM 0 HB VAL A 11 104.748 3.184 -11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.692 3.933 -9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.887 5.275 -9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.073 4.465 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.875 1.606 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.249 2.110 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.465 1.261 -10.445 1.00 0.00 H new ATOM 199 N GLU A 12 102.539 2.956 -13.198 1.00 0.00 N ATOM 200 CA GLU A 12 102.073 1.945 -14.191 1.00 0.00 C ATOM 201 C GLU A 12 103.275 1.145 -14.698 1.00 0.00 C ATOM 202 O GLU A 12 104.366 1.665 -14.817 1.00 0.00 O ATOM 203 CB GLU A 12 101.439 2.763 -15.322 1.00 0.00 C ATOM 204 CG GLU A 12 100.886 1.826 -16.403 1.00 0.00 C ATOM 205 CD GLU A 12 100.292 2.652 -17.545 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.600 3.616 -17.258 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.539 2.309 -18.690 1.00 0.00 O ATOM 0 H GLU A 12 103.197 3.647 -13.560 1.00 0.00 H new ATOM 0 HA GLU A 12 101.363 1.231 -13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.638 3.387 -14.925 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.180 3.434 -15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.680 1.183 -16.781 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.123 1.174 -15.978 1.00 0.00 H new ATOM 214 N VAL A 13 103.081 -0.115 -14.987 1.00 0.00 N ATOM 215 CA VAL A 13 104.195 -0.939 -15.542 1.00 0.00 C ATOM 216 C VAL A 13 103.682 -1.780 -16.710 1.00 0.00 C ATOM 217 O VAL A 13 102.579 -2.294 -16.666 1.00 0.00 O ATOM 218 CB VAL A 13 104.657 -1.828 -14.373 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.568 -2.842 -13.999 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.921 -2.582 -14.781 1.00 0.00 C ATOM 0 H VAL A 13 102.198 -0.610 -14.862 1.00 0.00 H new ATOM 0 HA VAL A 13 105.016 -0.334 -15.927 1.00 0.00 H new ATOM 0 HB VAL A 13 104.858 -1.192 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.915 -3.460 -13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.664 -2.311 -13.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.351 -3.476 -14.859 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.251 -3.213 -13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.709 -3.204 -15.650 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.707 -1.868 -15.029 1.00 0.00 H new ATOM 230 N LEU A 14 104.463 -1.927 -17.751 1.00 0.00 N ATOM 231 CA LEU A 14 104.071 -2.892 -18.822 1.00 0.00 C ATOM 232 C LEU A 14 104.758 -4.229 -18.585 1.00 0.00 C ATOM 233 O LEU A 14 105.934 -4.284 -18.272 1.00 0.00 O ATOM 234 CB LEU A 14 104.526 -2.319 -20.175 1.00 0.00 C ATOM 235 CG LEU A 14 104.115 -0.844 -20.387 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.902 -0.619 -21.887 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.821 -0.488 -19.637 1.00 0.00 C ATOM 0 H LEU A 14 105.340 -1.430 -17.904 1.00 0.00 H new ATOM 0 HA LEU A 14 102.991 -3.042 -18.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.610 -2.400 -20.249 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.105 -2.925 -20.978 1.00 0.00 H new ATOM 0 HG LEU A 14 104.907 -0.206 -19.994 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.611 0.417 -22.062 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.828 -0.831 -22.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.116 -1.283 -22.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.573 0.558 -19.816 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.008 -1.120 -19.994 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.964 -0.649 -18.568 1.00 0.00 H new ATOM 249 N LEU A 15 104.032 -5.303 -18.729 1.00 0.00 N ATOM 250 CA LEU A 15 104.654 -6.649 -18.563 1.00 0.00 C ATOM 251 C LEU A 15 105.335 -7.076 -19.867 1.00 0.00 C ATOM 252 O LEU A 15 105.284 -6.377 -20.863 1.00 0.00 O ATOM 253 CB LEU A 15 103.500 -7.598 -18.218 1.00 0.00 C ATOM 254 CG LEU A 15 102.871 -7.189 -16.882 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.576 -7.975 -16.667 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.844 -7.495 -15.742 1.00 0.00 C ATOM 0 H LEU A 15 103.037 -5.308 -18.954 1.00 0.00 H new ATOM 0 HA LEU A 15 105.418 -6.654 -17.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.748 -7.572 -19.007 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.866 -8.623 -18.159 1.00 0.00 H new ATOM 0 HG LEU A 15 102.653 -6.121 -16.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.128 -7.685 -15.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.880 -7.759 -17.478 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.796 -9.042 -16.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.395 -7.203 -14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.063 -8.563 -15.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.768 -6.937 -15.893 1.00 0.00 H new ATOM 268 N ASN A 16 105.970 -8.223 -19.862 1.00 0.00 N ATOM 269 CA ASN A 16 106.723 -8.698 -21.077 1.00 0.00 C ATOM 270 C ASN A 16 105.800 -8.819 -22.302 1.00 0.00 C ATOM 271 O ASN A 16 106.258 -8.804 -23.430 1.00 0.00 O ATOM 272 CB ASN A 16 107.299 -10.073 -20.695 1.00 0.00 C ATOM 273 CG ASN A 16 106.171 -11.038 -20.305 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.289 -11.311 -21.094 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.164 -11.566 -19.112 1.00 0.00 N ATOM 0 H ASN A 16 106.002 -8.859 -19.065 1.00 0.00 H new ATOM 0 HA ASN A 16 107.504 -7.991 -21.356 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.863 -10.483 -21.533 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.996 -9.964 -19.864 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.418 -12.208 -18.843 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.904 -11.337 -18.449 1.00 0.00 H new ATOM 282 N ASN A 17 104.512 -8.939 -22.089 1.00 0.00 N ATOM 283 CA ASN A 17 103.573 -9.152 -23.235 1.00 0.00 C ATOM 284 C ASN A 17 102.895 -7.833 -23.650 1.00 0.00 C ATOM 285 O ASN A 17 101.820 -7.845 -24.219 1.00 0.00 O ATOM 286 CB ASN A 17 102.538 -10.169 -22.724 1.00 0.00 C ATOM 287 CG ASN A 17 101.748 -9.602 -21.533 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.145 -8.627 -20.928 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.636 -10.183 -21.172 1.00 0.00 N ATOM 0 H ASN A 17 104.070 -8.899 -21.171 1.00 0.00 H new ATOM 0 HA ASN A 17 104.093 -9.514 -24.122 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.851 -10.430 -23.529 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.043 -11.088 -22.426 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.103 -9.818 -20.383 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.301 -11.002 -21.679 1.00 0.00 H new ATOM 296 N ASP A 18 103.510 -6.695 -23.365 1.00 0.00 N ATOM 297 CA ASP A 18 102.953 -5.374 -23.822 1.00 0.00 C ATOM 298 C ASP A 18 101.531 -5.167 -23.283 1.00 0.00 C ATOM 299 O ASP A 18 100.741 -4.447 -23.865 1.00 0.00 O ATOM 300 CB ASP A 18 102.950 -5.415 -25.359 1.00 0.00 C ATOM 301 CG ASP A 18 104.388 -5.526 -25.876 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.246 -4.846 -25.337 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.605 -6.290 -26.803 1.00 0.00 O ATOM 0 H ASP A 18 104.378 -6.630 -22.833 1.00 0.00 H new ATOM 0 HA ASP A 18 103.555 -4.545 -23.450 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.361 -6.263 -25.709 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.479 -4.515 -25.755 1.00 0.00 H new ATOM 308 N SER A 19 101.202 -5.796 -22.176 1.00 0.00 N ATOM 309 CA SER A 19 99.924 -5.472 -21.479 1.00 0.00 C ATOM 310 C SER A 19 100.214 -4.483 -20.350 1.00 0.00 C ATOM 311 O SER A 19 101.137 -4.671 -19.579 1.00 0.00 O ATOM 312 CB SER A 19 99.418 -6.804 -20.923 1.00 0.00 C ATOM 313 OG SER A 19 100.247 -7.216 -19.842 1.00 0.00 O ATOM 0 H SER A 19 101.767 -6.519 -21.730 1.00 0.00 H new ATOM 0 HA SER A 19 99.183 -5.016 -22.136 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.387 -6.700 -20.585 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.422 -7.562 -21.707 1.00 0.00 H new ATOM 0 HG SER A 19 100.988 -7.757 -20.186 1.00 0.00 H new ATOM 319 N LYS A 20 99.436 -3.438 -20.246 1.00 0.00 N ATOM 320 CA LYS A 20 99.784 -2.339 -19.293 1.00 0.00 C ATOM 321 C LYS A 20 98.807 -2.323 -18.113 1.00 0.00 C ATOM 322 O LYS A 20 97.615 -2.505 -18.281 1.00 0.00 O ATOM 323 CB LYS A 20 99.657 -1.030 -20.096 1.00 0.00 C ATOM 324 CG LYS A 20 100.316 -1.165 -21.480 1.00 0.00 C ATOM 325 CD LYS A 20 100.365 0.206 -22.159 1.00 0.00 C ATOM 326 CE LYS A 20 100.928 0.055 -23.574 1.00 0.00 C ATOM 327 NZ LYS A 20 101.007 1.444 -24.105 1.00 0.00 N ATOM 0 H LYS A 20 98.577 -3.297 -20.777 1.00 0.00 H new ATOM 0 HA LYS A 20 100.786 -2.471 -18.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.604 -0.773 -20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.125 -0.214 -19.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.324 -1.568 -21.377 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.754 -1.867 -22.095 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.366 0.640 -22.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.987 0.889 -21.580 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.909 -0.419 -23.560 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.282 -0.568 -24.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.385 1.424 -25.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.057 1.867 -24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 101.634 2.012 -23.500 1.00 0.00 H new ATOM 341 N ALA A 21 99.312 -2.106 -16.922 1.00 0.00 N ATOM 342 CA ALA A 21 98.424 -1.993 -15.724 1.00 0.00 C ATOM 343 C ALA A 21 98.955 -0.913 -14.777 1.00 0.00 C ATOM 344 O ALA A 21 100.148 -0.690 -14.691 1.00 0.00 O ATOM 345 CB ALA A 21 98.483 -3.369 -15.058 1.00 0.00 C ATOM 0 H ALA A 21 100.308 -2.002 -16.728 1.00 0.00 H new ATOM 0 HA ALA A 21 97.404 -1.712 -15.987 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.855 -3.369 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.124 -4.126 -15.755 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.512 -3.593 -14.777 1.00 0.00 H new ATOM 351 N ARG A 22 98.076 -0.244 -14.067 1.00 0.00 N ATOM 352 CA ARG A 22 98.521 0.857 -13.154 1.00 0.00 C ATOM 353 C ARG A 22 97.738 0.809 -11.839 1.00 0.00 C ATOM 354 O ARG A 22 96.583 0.429 -11.812 1.00 0.00 O ATOM 355 CB ARG A 22 98.237 2.165 -13.913 1.00 0.00 C ATOM 356 CG ARG A 22 96.742 2.280 -14.253 1.00 0.00 C ATOM 357 CD ARG A 22 96.529 3.422 -15.252 1.00 0.00 C ATOM 358 NE ARG A 22 96.394 4.661 -14.418 1.00 0.00 N ATOM 359 CZ ARG A 22 96.500 5.863 -14.952 1.00 0.00 C ATOM 360 NH1 ARG A 22 96.729 6.030 -16.235 1.00 0.00 N ATOM 361 NH2 ARG A 22 96.373 6.912 -14.187 1.00 0.00 N ATOM 0 H ARG A 22 97.070 -0.413 -14.081 1.00 0.00 H new ATOM 0 HA ARG A 22 99.576 0.768 -12.895 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.544 3.017 -13.307 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.827 2.196 -14.829 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.381 1.342 -14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.166 2.464 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.369 3.502 -15.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.636 3.255 -15.855 1.00 0.00 H new ATOM 0 HE ARG A 22 96.217 4.573 -13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.829 5.219 -16.845 1.00 0.00 H new ATOM 0 HH12 ARG A 22 96.806 6.971 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.194 6.797 -13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 96.453 7.847 -14.586 1.00 0.00 H new ATOM 375 N GLY A 23 98.365 1.192 -10.752 1.00 0.00 N ATOM 376 CA GLY A 23 97.666 1.175 -9.432 1.00 0.00 C ATOM 377 C GLY A 23 98.632 1.640 -8.340 1.00 0.00 C ATOM 378 O GLY A 23 99.737 2.065 -8.625 1.00 0.00 O ATOM 0 H GLY A 23 99.332 1.516 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.793 1.827 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.307 0.170 -9.211 1.00 0.00 H new ATOM 382 N VAL A 24 98.227 1.560 -7.095 1.00 0.00 N ATOM 383 CA VAL A 24 99.097 2.050 -5.981 1.00 0.00 C ATOM 384 C VAL A 24 99.948 0.894 -5.441 1.00 0.00 C ATOM 385 O VAL A 24 99.488 -0.225 -5.334 1.00 0.00 O ATOM 386 CB VAL A 24 98.134 2.571 -4.901 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.934 3.160 -3.735 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.234 3.665 -5.488 1.00 0.00 C ATOM 0 H VAL A 24 97.329 1.175 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 24 99.784 2.831 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 24 97.521 1.742 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.248 3.528 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.574 2.389 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.551 3.983 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.555 4.029 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.850 4.489 -5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.657 3.255 -6.317 1.00 0.00 H new ATOM 398 N ILE A 25 101.184 1.162 -5.102 1.00 0.00 N ATOM 399 CA ILE A 25 102.084 0.078 -4.587 1.00 0.00 C ATOM 400 C ILE A 25 101.802 -0.177 -3.101 1.00 0.00 C ATOM 401 O ILE A 25 101.590 0.746 -2.336 1.00 0.00 O ATOM 402 CB ILE A 25 103.515 0.609 -4.799 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.780 0.770 -6.302 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.546 -0.363 -4.199 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.079 1.551 -6.516 1.00 0.00 C ATOM 0 H ILE A 25 101.612 2.086 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 25 101.931 -0.871 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 25 103.610 1.573 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.851 -0.209 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.948 1.293 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.551 0.028 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.364 -0.472 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.454 -1.335 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.264 1.663 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.991 2.536 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.908 1.011 -6.059 1.00 0.00 H new ATOM 417 N THR A 26 101.801 -1.426 -2.694 1.00 0.00 N ATOM 418 CA THR A 26 101.532 -1.751 -1.259 1.00 0.00 C ATOM 419 C THR A 26 102.659 -2.601 -0.654 1.00 0.00 C ATOM 420 O THR A 26 102.996 -2.437 0.505 1.00 0.00 O ATOM 421 CB THR A 26 100.218 -2.534 -1.265 1.00 0.00 C ATOM 422 OG1 THR A 26 100.317 -3.618 -2.177 1.00 0.00 O ATOM 423 CG2 THR A 26 99.071 -1.612 -1.684 1.00 0.00 C ATOM 0 H THR A 26 101.975 -2.232 -3.294 1.00 0.00 H new ATOM 0 HA THR A 26 101.474 -0.847 -0.652 1.00 0.00 H new ATOM 0 HB THR A 26 100.021 -2.919 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.425 -3.271 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.136 -2.173 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.995 -0.783 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.264 -1.222 -2.684 1.00 0.00 H new ATOM 431 N ASN A 27 103.246 -3.504 -1.413 1.00 0.00 N ATOM 432 CA ASN A 27 104.240 -4.445 -0.806 1.00 0.00 C ATOM 433 C ASN A 27 105.438 -4.655 -1.736 1.00 0.00 C ATOM 434 O ASN A 27 105.319 -4.578 -2.943 1.00 0.00 O ATOM 435 CB ASN A 27 103.476 -5.757 -0.616 1.00 0.00 C ATOM 436 CG ASN A 27 104.306 -6.711 0.245 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.875 -7.660 -0.256 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.398 -6.499 1.529 1.00 0.00 N ATOM 0 H ASN A 27 103.081 -3.626 -2.412 1.00 0.00 H new ATOM 0 HA ASN A 27 104.641 -4.059 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.514 -5.564 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.267 -6.212 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.948 -7.130 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.920 -5.702 1.950 1.00 0.00 H new ATOM 445 N PHE A 28 106.589 -4.916 -1.167 1.00 0.00 N ATOM 446 CA PHE A 28 107.789 -5.264 -1.986 1.00 0.00 C ATOM 447 C PHE A 28 108.691 -6.215 -1.196 1.00 0.00 C ATOM 448 O PHE A 28 108.971 -5.992 -0.032 1.00 0.00 O ATOM 449 CB PHE A 28 108.497 -3.935 -2.244 1.00 0.00 C ATOM 450 CG PHE A 28 109.627 -4.040 -3.239 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.348 -4.327 -4.598 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.965 -3.848 -2.815 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.408 -4.423 -5.533 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.024 -3.945 -3.751 1.00 0.00 C ATOM 455 CZ PHE A 28 111.746 -4.232 -5.109 1.00 0.00 C ATOM 0 H PHE A 28 106.749 -4.902 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 28 107.529 -5.765 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.770 -3.209 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.887 -3.551 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.328 -4.473 -4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.178 -3.628 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.196 -4.642 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.044 -3.800 -3.428 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.554 -4.305 -5.822 1.00 0.00 H new ATOM 465 N ASP A 29 109.144 -7.271 -1.822 1.00 0.00 N ATOM 466 CA ASP A 29 109.961 -8.292 -1.099 1.00 0.00 C ATOM 467 C ASP A 29 111.321 -8.447 -1.780 1.00 0.00 C ATOM 468 O ASP A 29 111.396 -8.739 -2.956 1.00 0.00 O ATOM 469 CB ASP A 29 109.154 -9.588 -1.203 1.00 0.00 C ATOM 470 CG ASP A 29 109.783 -10.665 -0.313 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.202 -10.332 0.784 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.832 -11.804 -0.745 1.00 0.00 O ATOM 0 H ASP A 29 108.982 -7.471 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 29 110.153 -8.016 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.122 -9.410 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.128 -9.929 -2.238 1.00 0.00 H new ATOM 477 N SER A 30 112.390 -8.252 -1.048 1.00 0.00 N ATOM 478 CA SER A 30 113.755 -8.333 -1.664 1.00 0.00 C ATOM 479 C SER A 30 114.154 -9.793 -1.909 1.00 0.00 C ATOM 480 O SER A 30 114.888 -10.092 -2.833 1.00 0.00 O ATOM 481 CB SER A 30 114.696 -7.686 -0.647 1.00 0.00 C ATOM 482 OG SER A 30 114.768 -8.503 0.515 1.00 0.00 O ATOM 0 H SER A 30 112.379 -8.040 -0.050 1.00 0.00 H new ATOM 0 HA SER A 30 113.791 -7.831 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.688 -7.562 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.337 -6.691 -0.384 1.00 0.00 H new ATOM 0 HG SER A 30 115.372 -8.091 1.168 1.00 0.00 H new ATOM 488 N SER A 31 113.678 -10.701 -1.089 1.00 0.00 N ATOM 489 CA SER A 31 114.095 -12.135 -1.223 1.00 0.00 C ATOM 490 C SER A 31 113.568 -12.733 -2.533 1.00 0.00 C ATOM 491 O SER A 31 114.250 -13.499 -3.188 1.00 0.00 O ATOM 492 CB SER A 31 113.478 -12.854 -0.022 1.00 0.00 C ATOM 493 OG SER A 31 112.064 -12.881 -0.164 1.00 0.00 O ATOM 0 H SER A 31 113.019 -10.512 -0.333 1.00 0.00 H new ATOM 0 HA SER A 31 115.180 -12.237 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.867 -13.870 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.752 -12.344 0.902 1.00 0.00 H new ATOM 0 HG SER A 31 111.753 -12.017 -0.506 1.00 0.00 H new ATOM 499 N ASN A 32 112.362 -12.387 -2.915 1.00 0.00 N ATOM 500 CA ASN A 32 111.772 -12.954 -4.172 1.00 0.00 C ATOM 501 C ASN A 32 111.337 -11.841 -5.143 1.00 0.00 C ATOM 502 O ASN A 32 110.793 -12.118 -6.195 1.00 0.00 O ATOM 503 CB ASN A 32 110.556 -13.757 -3.709 1.00 0.00 C ATOM 504 CG ASN A 32 111.016 -14.961 -2.881 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.044 -15.548 -3.158 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.291 -15.358 -1.872 1.00 0.00 N ATOM 0 H ASN A 32 111.759 -11.736 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 32 112.497 -13.563 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.896 -13.125 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.982 -14.095 -4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.587 -16.160 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.428 -14.866 -1.639 1.00 0.00 H new ATOM 513 N SER A 33 111.570 -10.586 -4.803 1.00 0.00 N ATOM 514 CA SER A 33 111.144 -9.444 -5.689 1.00 0.00 C ATOM 515 C SER A 33 109.657 -9.565 -6.065 1.00 0.00 C ATOM 516 O SER A 33 109.309 -9.786 -7.212 1.00 0.00 O ATOM 517 CB SER A 33 112.036 -9.537 -6.933 1.00 0.00 C ATOM 518 OG SER A 33 113.387 -9.731 -6.530 1.00 0.00 O ATOM 0 H SER A 33 112.041 -10.304 -3.943 1.00 0.00 H new ATOM 0 HA SER A 33 111.253 -8.482 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.711 -10.363 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.949 -8.627 -7.526 1.00 0.00 H new ATOM 0 HG SER A 33 113.959 -9.793 -7.323 1.00 0.00 H new ATOM 524 N ILE A 34 108.784 -9.420 -5.097 1.00 0.00 N ATOM 525 CA ILE A 34 107.315 -9.525 -5.377 1.00 0.00 C ATOM 526 C ILE A 34 106.626 -8.203 -5.018 1.00 0.00 C ATOM 527 O ILE A 34 106.858 -7.641 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.800 -10.670 -4.486 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.611 -11.963 -4.735 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.319 -10.931 -4.783 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.495 -12.428 -6.199 1.00 0.00 C ATOM 0 H ILE A 34 109.025 -9.233 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 34 107.109 -9.723 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 34 106.920 -10.377 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.659 -11.790 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.254 -12.751 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.958 -11.742 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.743 -10.028 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.201 -11.208 -5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.077 -13.339 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.450 -12.625 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.876 -11.649 -6.859 1.00 0.00 H new ATOM 543 N LEU A 35 105.781 -7.709 -5.890 1.00 0.00 N ATOM 544 CA LEU A 35 105.155 -6.368 -5.671 1.00 0.00 C ATOM 545 C LEU A 35 103.630 -6.482 -5.730 1.00 0.00 C ATOM 546 O LEU A 35 103.074 -6.965 -6.699 1.00 0.00 O ATOM 547 CB LEU A 35 105.675 -5.511 -6.828 1.00 0.00 C ATOM 548 CG LEU A 35 105.215 -4.060 -6.655 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.204 -3.307 -5.764 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.147 -3.384 -8.026 1.00 0.00 C ATOM 0 H LEU A 35 105.497 -8.180 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 35 105.402 -5.943 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.764 -5.554 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.310 -5.906 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 35 104.230 -4.046 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.873 -2.275 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.253 -3.788 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.192 -3.320 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.820 -2.351 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.133 -3.401 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.439 -3.918 -8.660 1.00 0.00 H new ATOM 562 N GLN A 36 102.957 -6.040 -4.697 1.00 0.00 N ATOM 563 CA GLN A 36 101.466 -6.009 -4.727 1.00 0.00 C ATOM 564 C GLN A 36 100.983 -4.599 -5.069 1.00 0.00 C ATOM 565 O GLN A 36 101.406 -3.629 -4.466 1.00 0.00 O ATOM 566 CB GLN A 36 101.027 -6.400 -3.315 1.00 0.00 C ATOM 567 CG GLN A 36 101.309 -7.886 -3.087 1.00 0.00 C ATOM 568 CD GLN A 36 100.820 -8.291 -1.696 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.637 -8.478 -1.486 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.685 -8.436 -0.730 1.00 0.00 N ATOM 0 H GLN A 36 103.379 -5.699 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 36 101.052 -6.682 -5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.560 -5.800 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.964 -6.196 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.807 -8.483 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.377 -8.083 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.677 -8.279 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.369 -8.706 0.201 1.00 0.00 H new ATOM 579 N LEU A 37 100.103 -4.485 -6.035 1.00 0.00 N ATOM 580 CA LEU A 37 99.550 -3.147 -6.401 1.00 0.00 C ATOM 581 C LEU A 37 98.075 -3.068 -6.006 1.00 0.00 C ATOM 582 O LEU A 37 97.259 -3.843 -6.471 1.00 0.00 O ATOM 583 CB LEU A 37 99.694 -3.045 -7.924 1.00 0.00 C ATOM 584 CG LEU A 37 101.175 -3.080 -8.324 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.284 -3.141 -9.851 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.880 -1.817 -7.818 1.00 0.00 C ATOM 0 H LEU A 37 99.744 -5.265 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 37 100.071 -2.337 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.162 -3.868 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.237 -2.121 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 37 101.647 -3.958 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.335 -3.166 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.786 -4.039 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.809 -2.261 -10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.931 -1.847 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.409 -0.937 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.802 -1.767 -6.732 1.00 0.00 H new ATOM 598 N ARG A 38 97.732 -2.138 -5.150 1.00 0.00 N ATOM 599 CA ARG A 38 96.297 -1.954 -4.771 1.00 0.00 C ATOM 600 C ARG A 38 95.680 -0.831 -5.610 1.00 0.00 C ATOM 601 O ARG A 38 96.180 0.278 -5.638 1.00 0.00 O ATOM 602 CB ARG A 38 96.318 -1.580 -3.288 1.00 0.00 C ATOM 603 CG ARG A 38 94.886 -1.517 -2.750 1.00 0.00 C ATOM 604 CD ARG A 38 94.909 -1.073 -1.285 1.00 0.00 C ATOM 605 NE ARG A 38 93.487 -1.167 -0.828 1.00 0.00 N ATOM 606 CZ ARG A 38 92.925 -2.328 -0.548 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.580 -3.459 -0.675 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.684 -2.353 -0.142 1.00 0.00 N ATOM 0 H ARG A 38 98.384 -1.498 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 38 95.700 -2.849 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.896 -2.314 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.810 -0.617 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.294 -0.820 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.410 -2.494 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.558 -1.714 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.288 -0.056 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 38 92.938 -0.313 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.548 -3.454 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.121 -4.342 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.162 -1.482 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.237 -3.243 0.078 1.00 0.00 H new ATOM 622 N LEU A 39 94.598 -1.115 -6.289 1.00 0.00 N ATOM 623 CA LEU A 39 94.007 -0.114 -7.228 1.00 0.00 C ATOM 624 C LEU A 39 92.787 0.567 -6.599 1.00 0.00 C ATOM 625 O LEU A 39 92.090 -0.010 -5.782 1.00 0.00 O ATOM 626 CB LEU A 39 93.610 -0.928 -8.464 1.00 0.00 C ATOM 627 CG LEU A 39 93.244 0.004 -9.629 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.437 0.890 -9.998 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.875 -0.847 -10.844 1.00 0.00 C ATOM 0 H LEU A 39 94.096 -2.001 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 39 94.705 0.686 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.433 -1.580 -8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.763 -1.572 -8.226 1.00 0.00 H new ATOM 0 HG LEU A 39 92.407 0.635 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.162 1.545 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.722 1.494 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.278 0.263 -10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.613 -0.196 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.724 -1.470 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.024 -1.482 -10.598 1.00 0.00 H new ATOM 641 N ALA A 40 92.528 1.796 -6.989 1.00 0.00 N ATOM 642 CA ALA A 40 91.449 2.606 -6.328 1.00 0.00 C ATOM 643 C ALA A 40 90.054 1.994 -6.548 1.00 0.00 C ATOM 644 O ALA A 40 89.087 2.437 -5.954 1.00 0.00 O ATOM 645 CB ALA A 40 91.526 3.988 -6.980 1.00 0.00 C ATOM 0 H ALA A 40 93.021 2.276 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 40 91.596 2.642 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.765 4.638 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.512 4.418 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.355 3.894 -8.052 1.00 0.00 H new ATOM 651 N ASN A 41 89.934 0.989 -7.387 1.00 0.00 N ATOM 652 CA ASN A 41 88.613 0.304 -7.565 1.00 0.00 C ATOM 653 C ASN A 41 88.418 -0.805 -6.512 1.00 0.00 C ATOM 654 O ASN A 41 87.747 -1.787 -6.768 1.00 0.00 O ATOM 655 CB ASN A 41 88.669 -0.305 -8.968 1.00 0.00 C ATOM 656 CG ASN A 41 87.256 -0.683 -9.418 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.409 0.173 -9.582 1.00 0.00 O ATOM 658 ND2 ASN A 41 86.964 -1.938 -9.625 1.00 0.00 N ATOM 0 H ASN A 41 90.694 0.615 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 41 87.781 0.998 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.107 0.407 -9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.310 -1.187 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.025 -2.200 -9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.675 -2.656 -9.487 1.00 0.00 H new ATOM 665 N ASP A 42 88.997 -0.665 -5.327 1.00 0.00 N ATOM 666 CA ASP A 42 88.804 -1.686 -4.239 1.00 0.00 C ATOM 667 C ASP A 42 89.319 -3.059 -4.693 1.00 0.00 C ATOM 668 O ASP A 42 88.845 -4.083 -4.233 1.00 0.00 O ATOM 669 CB ASP A 42 87.293 -1.741 -3.972 1.00 0.00 C ATOM 670 CG ASP A 42 87.038 -2.418 -2.625 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.107 -1.733 -1.617 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.777 -3.610 -2.623 1.00 0.00 O ATOM 0 H ASP A 42 89.597 0.119 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 42 89.358 -1.418 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.876 -0.734 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.792 -2.291 -4.768 1.00 0.00 H new ATOM 677 N SER A 43 90.283 -3.091 -5.590 1.00 0.00 N ATOM 678 CA SER A 43 90.839 -4.400 -6.052 1.00 0.00 C ATOM 679 C SER A 43 92.344 -4.459 -5.778 1.00 0.00 C ATOM 680 O SER A 43 93.047 -3.477 -5.926 1.00 0.00 O ATOM 681 CB SER A 43 90.563 -4.440 -7.554 1.00 0.00 C ATOM 682 OG SER A 43 89.160 -4.403 -7.775 1.00 0.00 O ATOM 0 H SER A 43 90.705 -2.267 -6.018 1.00 0.00 H new ATOM 0 HA SER A 43 90.389 -5.247 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.043 -3.594 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.988 -5.345 -7.989 1.00 0.00 H new ATOM 0 HG SER A 43 88.822 -3.504 -7.582 1.00 0.00 H new ATOM 688 N THR A 44 92.839 -5.606 -5.380 1.00 0.00 N ATOM 689 CA THR A 44 94.302 -5.746 -5.098 1.00 0.00 C ATOM 690 C THR A 44 94.867 -6.969 -5.829 1.00 0.00 C ATOM 691 O THR A 44 94.205 -7.983 -5.959 1.00 0.00 O ATOM 692 CB THR A 44 94.412 -5.913 -3.573 1.00 0.00 C ATOM 693 OG1 THR A 44 95.779 -6.053 -3.215 1.00 0.00 O ATOM 694 CG2 THR A 44 93.633 -7.151 -3.108 1.00 0.00 C ATOM 0 H THR A 44 92.291 -6.454 -5.238 1.00 0.00 H new ATOM 0 HA THR A 44 94.872 -4.884 -5.444 1.00 0.00 H new ATOM 0 HB THR A 44 93.988 -5.032 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.854 -6.158 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.723 -7.252 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.582 -7.042 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.040 -8.040 -3.591 1.00 0.00 H new ATOM 702 N LYS A 45 96.086 -6.878 -6.304 1.00 0.00 N ATOM 703 CA LYS A 45 96.692 -8.021 -7.054 1.00 0.00 C ATOM 704 C LYS A 45 98.189 -8.126 -6.745 1.00 0.00 C ATOM 705 O LYS A 45 98.885 -7.130 -6.674 1.00 0.00 O ATOM 706 CB LYS A 45 96.470 -7.687 -8.530 1.00 0.00 C ATOM 707 CG LYS A 45 96.834 -8.899 -9.389 1.00 0.00 C ATOM 708 CD LYS A 45 96.645 -8.554 -10.867 1.00 0.00 C ATOM 709 CE LYS A 45 96.781 -9.823 -11.711 1.00 0.00 C ATOM 710 NZ LYS A 45 98.247 -10.066 -11.807 1.00 0.00 N ATOM 0 H LYS A 45 96.687 -6.060 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 45 96.246 -8.977 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.430 -7.408 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.080 -6.830 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.867 -9.193 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.207 -9.749 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.665 -8.104 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.387 -7.818 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.271 -10.665 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.337 -9.690 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 98.430 -10.815 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 98.725 -9.191 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 98.611 -10.362 -10.879 1.00 0.00 H new ATOM 724 N SER A 46 98.682 -9.327 -6.564 1.00 0.00 N ATOM 725 CA SER A 46 100.142 -9.515 -6.306 1.00 0.00 C ATOM 726 C SER A 46 100.853 -9.928 -7.598 1.00 0.00 C ATOM 727 O SER A 46 100.506 -10.920 -8.213 1.00 0.00 O ATOM 728 CB SER A 46 100.220 -10.633 -5.268 1.00 0.00 C ATOM 729 OG SER A 46 99.775 -11.850 -5.853 1.00 0.00 O ATOM 0 H SER A 46 98.134 -10.187 -6.584 1.00 0.00 H new ATOM 0 HA SER A 46 100.623 -8.602 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.244 -10.741 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.604 -10.385 -4.403 1.00 0.00 H new ATOM 0 HG SER A 46 99.993 -11.853 -6.808 1.00 0.00 H new ATOM 735 N ILE A 47 101.844 -9.174 -8.010 1.00 0.00 N ATOM 736 CA ILE A 47 102.575 -9.506 -9.272 1.00 0.00 C ATOM 737 C ILE A 47 104.082 -9.528 -8.998 1.00 0.00 C ATOM 738 O ILE A 47 104.622 -8.616 -8.400 1.00 0.00 O ATOM 739 CB ILE A 47 102.212 -8.386 -10.263 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.694 -8.361 -10.488 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.910 -8.633 -11.605 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.305 -7.079 -11.227 1.00 0.00 C ATOM 0 H ILE A 47 102.178 -8.341 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 47 102.304 -10.485 -9.668 1.00 0.00 H new ATOM 0 HB ILE A 47 102.538 -7.432 -9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.388 -9.233 -11.066 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.174 -8.413 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.649 -7.837 -12.303 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.990 -8.646 -11.457 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.588 -9.592 -12.012 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.227 -7.063 -11.386 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.597 -6.213 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.814 -7.046 -12.190 1.00 0.00 H new ATOM 754 N VAL A 48 104.760 -10.561 -9.433 1.00 0.00 N ATOM 755 CA VAL A 48 106.240 -10.630 -9.223 1.00 0.00 C ATOM 756 C VAL A 48 106.933 -9.671 -10.197 1.00 0.00 C ATOM 757 O VAL A 48 106.593 -9.605 -11.360 1.00 0.00 O ATOM 758 CB VAL A 48 106.648 -12.088 -9.503 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.139 -12.277 -9.187 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.807 -13.052 -8.645 1.00 0.00 C ATOM 0 H VAL A 48 104.354 -11.358 -9.923 1.00 0.00 H new ATOM 0 HA VAL A 48 106.527 -10.340 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 48 106.470 -12.309 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.425 -13.310 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.731 -11.609 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.321 -12.046 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.106 -14.079 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.968 -12.834 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.751 -12.926 -8.885 1.00 0.00 H new ATOM 770 N THR A 49 107.901 -8.931 -9.723 1.00 0.00 N ATOM 771 CA THR A 49 108.522 -7.855 -10.565 1.00 0.00 C ATOM 772 C THR A 49 109.240 -8.442 -11.786 1.00 0.00 C ATOM 773 O THR A 49 109.413 -7.771 -12.785 1.00 0.00 O ATOM 774 CB THR A 49 109.519 -7.132 -9.652 1.00 0.00 C ATOM 775 OG1 THR A 49 110.463 -8.068 -9.152 1.00 0.00 O ATOM 776 CG2 THR A 49 108.775 -6.478 -8.484 1.00 0.00 C ATOM 0 H THR A 49 108.293 -9.023 -8.786 1.00 0.00 H new ATOM 0 HA THR A 49 107.762 -7.177 -10.954 1.00 0.00 H new ATOM 0 HB THR A 49 110.036 -6.360 -10.222 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.077 -8.545 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.489 -5.966 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.053 -5.758 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.253 -7.244 -7.911 1.00 0.00 H new ATOM 784 N LYS A 50 109.661 -9.683 -11.718 1.00 0.00 N ATOM 785 CA LYS A 50 110.461 -10.274 -12.845 1.00 0.00 C ATOM 786 C LYS A 50 109.678 -10.208 -14.163 1.00 0.00 C ATOM 787 O LYS A 50 110.260 -10.204 -15.233 1.00 0.00 O ATOM 788 CB LYS A 50 110.725 -11.738 -12.457 1.00 0.00 C ATOM 789 CG LYS A 50 111.584 -11.816 -11.184 1.00 0.00 C ATOM 790 CD LYS A 50 111.711 -13.278 -10.742 1.00 0.00 C ATOM 791 CE LYS A 50 112.690 -14.006 -11.665 1.00 0.00 C ATOM 792 NZ LYS A 50 114.038 -13.701 -11.112 1.00 0.00 N ATOM 0 H LYS A 50 109.487 -10.313 -10.935 1.00 0.00 H new ATOM 0 HA LYS A 50 111.389 -9.724 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.778 -12.253 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.231 -12.251 -13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.572 -11.395 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.131 -11.223 -10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.061 -13.328 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.736 -13.764 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.500 -15.079 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.597 -13.657 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.714 -13.579 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.994 -12.825 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.349 -14.485 -10.504 1.00 0.00 H new ATOM 806 N ASP A 51 108.369 -10.157 -14.095 1.00 0.00 N ATOM 807 CA ASP A 51 107.562 -9.999 -15.349 1.00 0.00 C ATOM 808 C ASP A 51 107.375 -8.513 -15.713 1.00 0.00 C ATOM 809 O ASP A 51 106.607 -8.186 -16.600 1.00 0.00 O ATOM 810 CB ASP A 51 106.207 -10.679 -15.073 1.00 0.00 C ATOM 811 CG ASP A 51 105.498 -10.039 -13.871 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.407 -8.824 -13.830 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.055 -10.783 -13.012 1.00 0.00 O ATOM 0 H ASP A 51 107.827 -10.217 -13.233 1.00 0.00 H new ATOM 0 HA ASP A 51 108.067 -10.455 -16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.572 -10.602 -15.956 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.362 -11.741 -14.883 1.00 0.00 H new ATOM 818 N ILE A 52 108.067 -7.611 -15.043 1.00 0.00 N ATOM 819 CA ILE A 52 108.012 -6.167 -15.448 1.00 0.00 C ATOM 820 C ILE A 52 108.884 -5.942 -16.688 1.00 0.00 C ATOM 821 O ILE A 52 110.095 -6.058 -16.633 1.00 0.00 O ATOM 822 CB ILE A 52 108.559 -5.376 -14.245 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.607 -5.544 -13.048 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.685 -3.883 -14.609 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.205 -4.875 -11.803 1.00 0.00 C ATOM 0 H ILE A 52 108.662 -7.814 -14.240 1.00 0.00 H new ATOM 0 HA ILE A 52 107.001 -5.849 -15.703 1.00 0.00 H new ATOM 0 HB ILE A 52 109.545 -5.758 -13.981 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.638 -5.101 -13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.436 -6.603 -12.855 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.072 -3.331 -13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.367 -3.770 -15.452 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.705 -3.491 -14.880 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.524 -4.999 -10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.163 -5.338 -11.566 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.353 -3.813 -11.996 1.00 0.00 H new ATOM 837 N LYS A 53 108.271 -5.622 -17.800 1.00 0.00 N ATOM 838 CA LYS A 53 109.063 -5.203 -18.999 1.00 0.00 C ATOM 839 C LYS A 53 109.435 -3.723 -18.896 1.00 0.00 C ATOM 840 O LYS A 53 110.535 -3.328 -19.239 1.00 0.00 O ATOM 841 CB LYS A 53 108.148 -5.438 -20.201 1.00 0.00 C ATOM 842 CG LYS A 53 108.942 -5.245 -21.496 1.00 0.00 C ATOM 843 CD LYS A 53 108.013 -5.430 -22.698 1.00 0.00 C ATOM 844 CE LYS A 53 108.837 -5.400 -23.988 1.00 0.00 C ATOM 845 NZ LYS A 53 107.885 -4.951 -25.042 1.00 0.00 N ATOM 0 H LYS A 53 107.259 -5.632 -17.930 1.00 0.00 H new ATOM 0 HA LYS A 53 109.993 -5.765 -19.085 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.733 -6.445 -20.164 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.307 -4.745 -20.172 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.387 -4.250 -21.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.762 -5.962 -21.543 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.479 -6.377 -22.617 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.261 -4.641 -22.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.681 -4.716 -23.901 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.246 -6.384 -24.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.042 -5.503 -25.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 106.909 -5.094 -24.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.039 -3.942 -25.241 1.00 0.00 H new ATOM 859 N ASP A 54 108.526 -2.903 -18.425 1.00 0.00 N ATOM 860 CA ASP A 54 108.771 -1.421 -18.435 1.00 0.00 C ATOM 861 C ASP A 54 108.030 -0.739 -17.283 1.00 0.00 C ATOM 862 O ASP A 54 106.928 -1.116 -16.940 1.00 0.00 O ATOM 863 CB ASP A 54 108.224 -0.929 -19.777 1.00 0.00 C ATOM 864 CG ASP A 54 109.093 -1.462 -20.918 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.303 -1.344 -20.819 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.533 -1.979 -21.871 1.00 0.00 O ATOM 0 H ASP A 54 107.629 -3.191 -18.035 1.00 0.00 H new ATOM 0 HA ASP A 54 109.829 -1.190 -18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.194 -1.263 -19.905 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.210 0.161 -19.797 1.00 0.00 H new ATOM 871 N LEU A 55 108.631 0.268 -16.691 1.00 0.00 N ATOM 872 CA LEU A 55 108.005 0.940 -15.510 1.00 0.00 C ATOM 873 C LEU A 55 107.833 2.444 -15.764 1.00 0.00 C ATOM 874 O LEU A 55 108.659 3.070 -16.403 1.00 0.00 O ATOM 875 CB LEU A 55 108.990 0.723 -14.359 1.00 0.00 C ATOM 876 CG LEU A 55 108.898 -0.720 -13.859 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.229 -1.129 -13.224 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.785 -0.828 -12.812 1.00 0.00 C ATOM 0 H LEU A 55 109.531 0.653 -16.978 1.00 0.00 H new ATOM 0 HA LEU A 55 107.015 0.535 -15.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 110.005 0.937 -14.693 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.769 1.414 -13.545 1.00 0.00 H new ATOM 0 HG LEU A 55 108.677 -1.379 -14.699 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.162 -2.157 -12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 55 111.024 -1.053 -13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.450 -0.469 -12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.719 -1.856 -12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 55 108.008 -0.167 -11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.835 -0.538 -13.260 1.00 0.00 H new ATOM 890 N ARG A 56 106.764 3.019 -15.268 1.00 0.00 N ATOM 891 CA ARG A 56 106.620 4.508 -15.293 1.00 0.00 C ATOM 892 C ARG A 56 105.828 4.980 -14.065 1.00 0.00 C ATOM 893 O ARG A 56 105.103 4.215 -13.456 1.00 0.00 O ATOM 894 CB ARG A 56 105.868 4.827 -16.596 1.00 0.00 C ATOM 895 CG ARG A 56 104.452 4.237 -16.557 1.00 0.00 C ATOM 896 CD ARG A 56 103.727 4.550 -17.870 1.00 0.00 C ATOM 897 NE ARG A 56 104.472 3.795 -18.929 1.00 0.00 N ATOM 898 CZ ARG A 56 104.335 4.088 -20.208 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.535 5.048 -20.614 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.008 3.405 -21.092 1.00 0.00 N ATOM 0 H ARG A 56 105.982 2.519 -14.845 1.00 0.00 H new ATOM 0 HA ARG A 56 107.583 5.017 -15.260 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.815 5.906 -16.737 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.414 4.421 -17.447 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.501 3.159 -16.405 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.897 4.653 -15.716 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.684 4.238 -17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.731 5.621 -18.075 1.00 0.00 H new ATOM 0 HE ARG A 56 105.099 3.038 -18.655 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.000 5.588 -19.934 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.449 5.253 -21.609 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.631 2.655 -20.791 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.912 3.621 -22.084 1.00 0.00 H new ATOM 914 N ILE A 57 105.964 6.232 -13.703 1.00 0.00 N ATOM 915 CA ILE A 57 105.160 6.785 -12.565 1.00 0.00 C ATOM 916 C ILE A 57 104.179 7.835 -13.099 1.00 0.00 C ATOM 917 O ILE A 57 104.558 8.732 -13.829 1.00 0.00 O ATOM 918 CB ILE A 57 106.183 7.420 -11.607 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.182 6.354 -11.133 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.454 8.002 -10.389 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.336 7.022 -10.380 1.00 0.00 C ATOM 0 H ILE A 57 106.598 6.897 -14.146 1.00 0.00 H new ATOM 0 HA ILE A 57 104.572 6.021 -12.057 1.00 0.00 H new ATOM 0 HB ILE A 57 106.717 8.213 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.681 5.635 -10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.567 5.798 -11.988 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.180 8.451 -9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.745 8.762 -10.718 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.918 7.206 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.041 6.261 -10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.845 7.723 -11.042 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.944 7.558 -9.515 1.00 0.00 H new ATOM 933 N LEU A 58 102.922 7.726 -12.740 1.00 0.00 N ATOM 934 CA LEU A 58 101.890 8.648 -13.311 1.00 0.00 C ATOM 935 C LEU A 58 101.764 9.905 -12.431 1.00 0.00 C ATOM 936 O LEU A 58 101.762 9.797 -11.219 1.00 0.00 O ATOM 937 CB LEU A 58 100.579 7.853 -13.300 1.00 0.00 C ATOM 938 CG LEU A 58 100.710 6.608 -14.186 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.577 5.631 -13.865 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.632 7.014 -15.659 1.00 0.00 C ATOM 0 H LEU A 58 102.566 7.038 -12.076 1.00 0.00 H new ATOM 0 HA LEU A 58 102.149 8.981 -14.316 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.332 7.559 -12.280 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.762 8.479 -13.658 1.00 0.00 H new ATOM 0 HG LEU A 58 101.670 6.128 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.670 4.746 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.635 5.338 -12.817 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.617 6.112 -14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.725 6.127 -16.286 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.674 7.497 -15.853 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.441 7.708 -15.889 1.00 0.00 H new ATOM 952 N PRO A 59 101.660 11.065 -13.059 1.00 0.00 N ATOM 953 CA PRO A 59 101.546 12.331 -12.285 1.00 0.00 C ATOM 954 C PRO A 59 100.185 12.405 -11.584 1.00 0.00 C ATOM 955 O PRO A 59 99.152 12.224 -12.200 1.00 0.00 O ATOM 956 CB PRO A 59 101.675 13.426 -13.343 1.00 0.00 C ATOM 957 CG PRO A 59 101.302 12.775 -14.635 1.00 0.00 C ATOM 958 CD PRO A 59 101.638 11.312 -14.512 1.00 0.00 C ATOM 0 HA PRO A 59 102.299 12.420 -11.502 1.00 0.00 H new ATOM 0 HB2 PRO A 59 101.016 14.266 -13.122 1.00 0.00 H new ATOM 0 HB3 PRO A 59 102.691 13.819 -13.380 1.00 0.00 H new ATOM 0 HG2 PRO A 59 100.240 12.910 -14.841 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.847 13.226 -15.464 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.895 10.690 -15.010 1.00 0.00 H new ATOM 0 HD3 PRO A 59 102.601 11.085 -14.969 1.00 0.00 H new ATOM 966 N LYS A 60 100.182 12.673 -10.294 1.00 0.00 N ATOM 967 CA LYS A 60 98.897 12.777 -9.516 1.00 0.00 C ATOM 968 C LYS A 60 98.021 11.530 -9.718 1.00 0.00 C ATOM 969 O LYS A 60 98.399 10.599 -10.405 1.00 0.00 O ATOM 970 CB LYS A 60 98.188 14.025 -10.054 1.00 0.00 C ATOM 971 CG LYS A 60 99.000 15.270 -9.691 1.00 0.00 C ATOM 972 CD LYS A 60 98.293 16.517 -10.230 1.00 0.00 C ATOM 973 CE LYS A 60 97.094 16.852 -9.337 1.00 0.00 C ATOM 974 NZ LYS A 60 97.666 17.637 -8.207 1.00 0.00 N ATOM 0 H LYS A 60 101.025 12.826 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 60 99.089 12.848 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 60 98.075 13.954 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 60 97.185 14.096 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 60 99.112 15.341 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.003 15.198 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 60 98.986 17.358 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 60 97.961 16.345 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 60 96.346 17.429 -9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 60 96.602 15.947 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 97.160 17.401 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 98.674 17.406 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 97.563 18.653 -8.403 1.00 0.00 H new ATOM 988 N ASN A 61 96.855 11.514 -9.119 1.00 0.00 N ATOM 989 CA ASN A 61 95.938 10.340 -9.277 1.00 0.00 C ATOM 990 C ASN A 61 95.270 10.372 -10.654 1.00 0.00 C ATOM 991 O ASN A 61 95.068 9.345 -11.277 1.00 0.00 O ATOM 992 CB ASN A 61 94.889 10.487 -8.170 1.00 0.00 C ATOM 993 CG ASN A 61 95.558 10.327 -6.802 1.00 0.00 C ATOM 994 OD1 ASN A 61 96.456 9.524 -6.642 1.00 0.00 O ATOM 995 ND2 ASN A 61 95.156 11.063 -5.803 1.00 0.00 N ATOM 0 H ASN A 61 96.498 12.264 -8.527 1.00 0.00 H new ATOM 0 HA ASN A 61 96.473 9.393 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 61 94.408 11.463 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 61 94.108 9.737 -8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 61 95.595 10.965 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 61 94.402 11.737 -5.937 1.00 0.00 H new ATOM 1002 N GLU A 62 94.926 11.545 -11.130 1.00 0.00 N ATOM 1003 CA GLU A 62 94.254 11.659 -12.463 1.00 0.00 C ATOM 1004 C GLU A 62 95.099 12.515 -13.410 1.00 0.00 C ATOM 1005 O GLU A 62 95.799 13.417 -12.986 1.00 0.00 O ATOM 1006 CB GLU A 62 92.914 12.340 -12.177 1.00 0.00 C ATOM 1007 CG GLU A 62 92.032 11.408 -11.340 1.00 0.00 C ATOM 1008 CD GLU A 62 90.652 12.041 -11.137 1.00 0.00 C ATOM 1009 OE1 GLU A 62 90.589 13.251 -10.978 1.00 0.00 O ATOM 1010 OE2 GLU A 62 89.679 11.305 -11.144 1.00 0.00 O ATOM 0 H GLU A 62 95.083 12.432 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 62 94.123 10.689 -12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 62 93.077 13.277 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 62 92.413 12.588 -13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 62 91.930 10.444 -11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 62 92.501 11.219 -10.374 1.00 0.00 H new ATOM 1017 N ILE A 63 95.036 12.237 -14.690 1.00 0.00 N ATOM 1018 CA ILE A 63 95.826 13.033 -15.683 1.00 0.00 C ATOM 1019 C ILE A 63 94.875 13.688 -16.694 1.00 0.00 C ATOM 1020 O ILE A 63 93.958 13.059 -17.190 1.00 0.00 O ATOM 1021 CB ILE A 63 96.750 12.016 -16.378 1.00 0.00 C ATOM 1022 CG1 ILE A 63 97.657 11.341 -15.340 1.00 0.00 C ATOM 1023 CG2 ILE A 63 97.626 12.735 -17.412 1.00 0.00 C ATOM 1024 CD1 ILE A 63 98.363 10.141 -15.978 1.00 0.00 C ATOM 0 H ILE A 63 94.469 11.490 -15.092 1.00 0.00 H new ATOM 0 HA ILE A 63 96.398 13.834 -15.215 1.00 0.00 H new ATOM 0 HB ILE A 63 96.137 11.263 -16.873 1.00 0.00 H new ATOM 0 HG12 ILE A 63 98.393 12.053 -14.968 1.00 0.00 H new ATOM 0 HG13 ILE A 63 97.067 11.015 -14.483 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.278 12.012 -17.902 1.00 0.00 H new ATOM 0 HG22 ILE A 63 96.991 13.214 -18.157 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.232 13.491 -16.913 1.00 0.00 H new ATOM 0 HD11 ILE A 63 99.007 9.663 -15.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 97.619 9.426 -16.329 1.00 0.00 H new ATOM 0 HD13 ILE A 63 98.966 10.479 -16.820 1.00 0.00 H new ATOM 1036 N MET A 64 95.093 14.944 -16.999 1.00 0.00 N ATOM 1037 CA MET A 64 94.218 15.649 -17.985 1.00 0.00 C ATOM 1038 C MET A 64 95.026 16.023 -19.239 1.00 0.00 C ATOM 1039 O MET A 64 96.231 16.171 -19.164 1.00 0.00 O ATOM 1040 CB MET A 64 93.739 16.909 -17.261 1.00 0.00 C ATOM 1041 CG MET A 64 92.654 16.535 -16.249 1.00 0.00 C ATOM 1042 SD MET A 64 91.085 16.279 -17.115 1.00 0.00 S ATOM 1043 CE MET A 64 89.996 16.835 -15.780 1.00 0.00 C ATOM 0 H MET A 64 95.843 15.513 -16.605 1.00 0.00 H new ATOM 0 HA MET A 64 93.386 15.028 -18.316 1.00 0.00 H new ATOM 0 HB2 MET A 64 94.575 17.389 -16.753 1.00 0.00 H new ATOM 0 HB3 MET A 64 93.348 17.628 -17.981 1.00 0.00 H new ATOM 0 HG2 MET A 64 92.938 15.629 -15.713 1.00 0.00 H new ATOM 0 HG3 MET A 64 92.547 17.325 -15.506 1.00 0.00 H new ATOM 0 HE1 MET A 64 88.958 16.760 -16.103 1.00 0.00 H new ATOM 0 HE2 MET A 64 90.149 16.209 -14.901 1.00 0.00 H new ATOM 0 HE3 MET A 64 90.225 17.871 -15.531 1.00 0.00 H new ATOM 1053 N PRO A 65 94.339 16.166 -20.358 1.00 0.00 N ATOM 1054 CA PRO A 65 95.028 16.520 -21.627 1.00 0.00 C ATOM 1055 C PRO A 65 95.565 17.955 -21.559 1.00 0.00 C ATOM 1056 O PRO A 65 94.884 18.858 -21.107 1.00 0.00 O ATOM 1057 CB PRO A 65 93.935 16.397 -22.690 1.00 0.00 C ATOM 1058 CG PRO A 65 92.643 16.515 -21.947 1.00 0.00 C ATOM 1059 CD PRO A 65 92.886 16.013 -20.548 1.00 0.00 C ATOM 0 HA PRO A 65 95.885 15.881 -21.837 1.00 0.00 H new ATOM 0 HB2 PRO A 65 94.029 17.180 -23.442 1.00 0.00 H new ATOM 0 HB3 PRO A 65 94.002 15.443 -23.213 1.00 0.00 H new ATOM 0 HG2 PRO A 65 92.302 17.550 -21.930 1.00 0.00 H new ATOM 0 HG3 PRO A 65 91.864 15.930 -22.436 1.00 0.00 H new ATOM 0 HD2 PRO A 65 92.325 16.591 -19.814 1.00 0.00 H new ATOM 0 HD3 PRO A 65 92.577 14.973 -20.438 1.00 0.00 H new ATOM 1067 N LYS A 66 96.780 18.165 -22.008 1.00 0.00 N ATOM 1068 CA LYS A 66 97.365 19.547 -21.997 1.00 0.00 C ATOM 1069 C LYS A 66 96.604 20.453 -22.971 1.00 0.00 C ATOM 1070 O LYS A 66 96.368 21.614 -22.693 1.00 0.00 O ATOM 1071 CB LYS A 66 98.819 19.379 -22.448 1.00 0.00 C ATOM 1072 CG LYS A 66 99.573 20.697 -22.253 1.00 0.00 C ATOM 1073 CD LYS A 66 101.008 20.545 -22.762 1.00 0.00 C ATOM 1074 CE LYS A 66 101.811 21.797 -22.405 1.00 0.00 C ATOM 1075 NZ LYS A 66 101.439 22.801 -23.440 1.00 0.00 N ATOM 0 H LYS A 66 97.393 17.440 -22.382 1.00 0.00 H new ATOM 0 HA LYS A 66 97.299 20.009 -21.012 1.00 0.00 H new ATOM 0 HB2 LYS A 66 99.299 18.586 -21.875 1.00 0.00 H new ATOM 0 HB3 LYS A 66 98.853 19.080 -23.496 1.00 0.00 H new ATOM 0 HG2 LYS A 66 99.068 21.500 -22.791 1.00 0.00 H new ATOM 0 HG3 LYS A 66 99.577 20.973 -21.199 1.00 0.00 H new ATOM 0 HD2 LYS A 66 101.471 19.664 -22.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 101.008 20.395 -23.842 1.00 0.00 H new ATOM 0 HE2 LYS A 66 101.565 22.152 -21.404 1.00 0.00 H new ATOM 0 HE3 LYS A 66 102.882 21.596 -22.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 102.301 23.180 -23.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 100.848 22.348 -24.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 100.908 23.577 -22.996 1.00 0.00 H new ATOM 1089 N ASN A 67 96.221 19.925 -24.109 1.00 0.00 N ATOM 1090 CA ASN A 67 95.473 20.743 -25.112 1.00 0.00 C ATOM 1091 C ASN A 67 93.998 20.330 -25.137 1.00 0.00 C ATOM 1092 O ASN A 67 93.666 19.181 -24.914 1.00 0.00 O ATOM 1093 CB ASN A 67 96.139 20.433 -26.455 1.00 0.00 C ATOM 1094 CG ASN A 67 97.570 20.979 -26.459 1.00 0.00 C ATOM 1095 OD1 ASN A 67 97.835 22.029 -25.906 1.00 0.00 O ATOM 1096 ND2 ASN A 67 98.509 20.306 -27.065 1.00 0.00 N ATOM 0 H ASN A 67 96.396 18.959 -24.386 1.00 0.00 H new ATOM 0 HA ASN A 67 95.502 21.808 -24.879 1.00 0.00 H new ATOM 0 HB2 ASN A 67 96.150 19.357 -26.627 1.00 0.00 H new ATOM 0 HB3 ASN A 67 95.566 20.880 -27.268 1.00 0.00 H new ATOM 0 HD21 ASN A 67 99.465 20.661 -27.075 1.00 0.00 H new ATOM 0 HD22 ASN A 67 98.287 19.425 -27.529 1.00 0.00 H new ATOM 1103 N GLY A 68 93.117 21.263 -25.407 1.00 0.00 N ATOM 1104 CA GLY A 68 91.659 20.942 -25.443 1.00 0.00 C ATOM 1105 C GLY A 68 91.001 21.674 -26.615 1.00 0.00 C ATOM 1106 O GLY A 68 91.641 21.968 -27.607 1.00 0.00 O ATOM 0 H GLY A 68 93.348 22.237 -25.605 1.00 0.00 H new ATOM 0 HA2 GLY A 68 91.516 19.866 -25.546 1.00 0.00 H new ATOM 0 HA3 GLY A 68 91.188 21.238 -24.506 1.00 0.00 H new ATOM 1110 N THR A 69 89.729 21.969 -26.502 1.00 0.00 N ATOM 1111 CA THR A 69 89.013 22.676 -27.608 1.00 0.00 C ATOM 1112 C THR A 69 88.868 24.166 -27.282 1.00 0.00 C ATOM 1113 O THR A 69 87.900 24.799 -27.660 1.00 0.00 O ATOM 1114 CB THR A 69 87.639 22.006 -27.683 1.00 0.00 C ATOM 1115 OG1 THR A 69 87.038 22.015 -26.396 1.00 0.00 O ATOM 1116 CG2 THR A 69 87.796 20.563 -28.167 1.00 0.00 C ATOM 0 H THR A 69 89.154 21.750 -25.688 1.00 0.00 H new ATOM 0 HA THR A 69 89.551 22.611 -28.554 1.00 0.00 H new ATOM 0 HB THR A 69 87.007 22.553 -28.383 1.00 0.00 H new ATOM 0 HG1 THR A 69 86.157 21.588 -26.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 86.816 20.088 -28.219 1.00 0.00 H new ATOM 0 HG22 THR A 69 88.255 20.559 -29.156 1.00 0.00 H new ATOM 0 HG23 THR A 69 88.429 20.013 -27.471 1.00 0.00 H new ATOM 1124 N LYS A 70 89.829 24.730 -26.577 1.00 0.00 N ATOM 1125 CA LYS A 70 89.783 26.193 -26.223 1.00 0.00 C ATOM 1126 C LYS A 70 88.458 26.545 -25.526 1.00 0.00 C ATOM 1127 O LYS A 70 87.808 27.520 -25.863 1.00 0.00 O ATOM 1128 CB LYS A 70 89.922 26.948 -27.553 1.00 0.00 C ATOM 1129 CG LYS A 70 91.301 26.673 -28.159 1.00 0.00 C ATOM 1130 CD LYS A 70 91.473 27.501 -29.433 1.00 0.00 C ATOM 1131 CE LYS A 70 92.787 27.118 -30.118 1.00 0.00 C ATOM 1132 NZ LYS A 70 92.784 27.873 -31.403 1.00 0.00 N ATOM 0 H LYS A 70 90.650 24.235 -26.229 1.00 0.00 H new ATOM 0 HA LYS A 70 90.578 26.462 -25.527 1.00 0.00 H new ATOM 0 HB2 LYS A 70 89.141 26.633 -28.245 1.00 0.00 H new ATOM 0 HB3 LYS A 70 89.792 28.018 -27.391 1.00 0.00 H new ATOM 0 HG2 LYS A 70 92.082 26.924 -27.441 1.00 0.00 H new ATOM 0 HG3 LYS A 70 91.405 25.612 -28.385 1.00 0.00 H new ATOM 0 HD2 LYS A 70 90.635 27.328 -30.108 1.00 0.00 H new ATOM 0 HD3 LYS A 70 91.473 28.564 -29.191 1.00 0.00 H new ATOM 0 HE2 LYS A 70 93.646 27.387 -29.504 1.00 0.00 H new ATOM 0 HE3 LYS A 70 92.844 26.043 -30.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 93.655 27.663 -31.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 91.959 27.591 -31.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 92.736 28.893 -31.206 1.00 0.00 H new ATOM 1146 N SER A 71 88.061 25.755 -24.559 1.00 0.00 N ATOM 1147 CA SER A 71 86.774 26.022 -23.842 1.00 0.00 C ATOM 1148 C SER A 71 86.982 27.088 -22.753 1.00 0.00 C ATOM 1149 O SER A 71 88.086 27.259 -22.272 1.00 0.00 O ATOM 1150 CB SER A 71 86.376 24.686 -23.214 1.00 0.00 C ATOM 1151 OG SER A 71 87.471 24.176 -22.463 1.00 0.00 O ATOM 0 H SER A 71 88.573 24.935 -24.234 1.00 0.00 H new ATOM 0 HA SER A 71 86.003 26.399 -24.514 1.00 0.00 H new ATOM 0 HB2 SER A 71 85.508 24.819 -22.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 86.091 23.976 -23.991 1.00 0.00 H new ATOM 0 HG SER A 71 87.534 23.207 -22.593 1.00 0.00 H new ATOM 1157 N PRO A 72 85.912 27.774 -22.395 1.00 0.00 N ATOM 1158 CA PRO A 72 86.010 28.849 -21.372 1.00 0.00 C ATOM 1159 C PRO A 72 86.330 28.255 -19.996 1.00 0.00 C ATOM 1160 O PRO A 72 87.099 28.816 -19.235 1.00 0.00 O ATOM 1161 CB PRO A 72 84.624 29.496 -21.378 1.00 0.00 C ATOM 1162 CG PRO A 72 83.710 28.473 -21.973 1.00 0.00 C ATOM 1163 CD PRO A 72 84.536 27.619 -22.897 1.00 0.00 C ATOM 0 HA PRO A 72 86.804 29.564 -21.586 1.00 0.00 H new ATOM 0 HB2 PRO A 72 84.311 29.763 -20.369 1.00 0.00 H new ATOM 0 HB3 PRO A 72 84.622 30.414 -21.966 1.00 0.00 H new ATOM 0 HG2 PRO A 72 83.254 27.864 -21.192 1.00 0.00 H new ATOM 0 HG3 PRO A 72 82.897 28.954 -22.518 1.00 0.00 H new ATOM 0 HD2 PRO A 72 84.216 26.577 -22.869 1.00 0.00 H new ATOM 0 HD3 PRO A 72 84.449 27.952 -23.931 1.00 0.00 H new ATOM 1171 N SER A 73 85.744 27.127 -19.673 1.00 0.00 N ATOM 1172 CA SER A 73 85.982 26.507 -18.332 1.00 0.00 C ATOM 1173 C SER A 73 85.622 25.016 -18.361 1.00 0.00 C ATOM 1174 O SER A 73 85.039 24.491 -17.429 1.00 0.00 O ATOM 1175 CB SER A 73 85.059 27.268 -17.379 1.00 0.00 C ATOM 1176 OG SER A 73 85.506 27.080 -16.043 1.00 0.00 O ATOM 0 H SER A 73 85.110 26.609 -20.281 1.00 0.00 H new ATOM 0 HA SER A 73 87.026 26.570 -18.026 1.00 0.00 H new ATOM 0 HB2 SER A 73 85.056 28.329 -17.628 1.00 0.00 H new ATOM 0 HB3 SER A 73 84.034 26.912 -17.485 1.00 0.00 H new ATOM 0 HG SER A 73 85.614 26.122 -15.866 1.00 0.00 H new ATOM 1182 N THR A 74 85.969 24.333 -19.426 1.00 0.00 N ATOM 1183 CA THR A 74 85.677 22.869 -19.518 1.00 0.00 C ATOM 1184 C THR A 74 86.983 22.077 -19.616 1.00 0.00 C ATOM 1185 O THR A 74 87.934 22.508 -20.243 1.00 0.00 O ATOM 1186 CB THR A 74 84.853 22.706 -20.797 1.00 0.00 C ATOM 1187 OG1 THR A 74 83.786 23.645 -20.793 1.00 0.00 O ATOM 1188 CG2 THR A 74 84.287 21.288 -20.865 1.00 0.00 C ATOM 0 H THR A 74 86.443 24.729 -20.238 1.00 0.00 H new ATOM 0 HA THR A 74 85.144 22.498 -18.642 1.00 0.00 H new ATOM 0 HB THR A 74 85.489 22.881 -21.664 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.258 23.544 -21.612 1.00 0.00 H new ATOM 0 HG21 THR A 74 83.700 21.174 -21.777 1.00 0.00 H new ATOM 0 HG22 THR A 74 85.106 20.569 -20.868 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.650 21.109 -19.999 1.00 0.00 H new ATOM 1196 N ASN A 75 87.036 20.915 -18.998 1.00 0.00 N ATOM 1197 CA ASN A 75 88.282 20.070 -19.025 1.00 0.00 C ATOM 1198 C ASN A 75 89.497 20.877 -18.538 1.00 0.00 C ATOM 1199 O ASN A 75 90.570 20.813 -19.113 1.00 0.00 O ATOM 1200 CB ASN A 75 88.460 19.644 -20.488 1.00 0.00 C ATOM 1201 CG ASN A 75 89.558 18.582 -20.581 1.00 0.00 C ATOM 1202 OD1 ASN A 75 90.655 18.863 -21.020 1.00 0.00 O ATOM 1203 ND2 ASN A 75 89.308 17.365 -20.182 1.00 0.00 N ATOM 0 H ASN A 75 86.262 20.512 -18.471 1.00 0.00 H new ATOM 0 HA ASN A 75 88.198 19.207 -18.364 1.00 0.00 H new ATOM 0 HB2 ASN A 75 87.523 19.248 -20.879 1.00 0.00 H new ATOM 0 HB3 ASN A 75 88.722 20.507 -21.100 1.00 0.00 H new ATOM 0 HD21 ASN A 75 90.034 16.650 -20.239 1.00 0.00 H new ATOM 0 HD22 ASN A 75 88.387 17.128 -19.813 1.00 0.00 H new ATOM 1210 N SER A 76 89.328 21.634 -17.480 1.00 0.00 N ATOM 1211 CA SER A 76 90.458 22.454 -16.943 1.00 0.00 C ATOM 1212 C SER A 76 90.660 22.164 -15.453 1.00 0.00 C ATOM 1213 O SER A 76 89.772 21.666 -14.784 1.00 0.00 O ATOM 1214 CB SER A 76 90.027 23.904 -17.152 1.00 0.00 C ATOM 1215 OG SER A 76 88.898 24.182 -16.335 1.00 0.00 O ATOM 0 H SER A 76 88.452 21.719 -16.964 1.00 0.00 H new ATOM 0 HA SER A 76 91.402 22.233 -17.440 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.846 24.578 -16.902 1.00 0.00 H new ATOM 0 HB3 SER A 76 89.782 24.075 -18.200 1.00 0.00 H new ATOM 0 HG SER A 76 88.621 25.113 -16.466 1.00 0.00 H new ATOM 1221 N THR A 77 91.824 22.472 -14.932 1.00 0.00 N ATOM 1222 CA THR A 77 92.101 22.215 -13.485 1.00 0.00 C ATOM 1223 C THR A 77 92.186 23.540 -12.721 1.00 0.00 C ATOM 1224 O THR A 77 92.703 24.522 -13.223 1.00 0.00 O ATOM 1225 CB THR A 77 93.451 21.495 -13.464 1.00 0.00 C ATOM 1226 OG1 THR A 77 93.416 20.402 -14.371 1.00 0.00 O ATOM 1227 CG2 THR A 77 93.735 20.979 -12.053 1.00 0.00 C ATOM 0 H THR A 77 92.596 22.892 -15.450 1.00 0.00 H new ATOM 0 HA THR A 77 91.317 21.625 -13.011 1.00 0.00 H new ATOM 0 HB THR A 77 94.238 22.189 -13.759 1.00 0.00 H new ATOM 0 HG1 THR A 77 94.280 19.940 -14.360 1.00 0.00 H new ATOM 0 HG21 THR A 77 94.697 20.466 -12.040 1.00 0.00 H new ATOM 0 HG22 THR A 77 93.761 21.818 -11.357 1.00 0.00 H new ATOM 0 HG23 THR A 77 92.950 20.284 -11.755 1.00 0.00 H new ATOM 1235 N LYS A 78 91.681 23.570 -11.511 1.00 0.00 N ATOM 1236 CA LYS A 78 91.714 24.831 -10.707 1.00 0.00 C ATOM 1237 C LYS A 78 93.021 24.917 -9.913 1.00 0.00 C ATOM 1238 O LYS A 78 93.431 23.966 -9.273 1.00 0.00 O ATOM 1239 CB LYS A 78 90.516 24.734 -9.758 1.00 0.00 C ATOM 1240 CG LYS A 78 90.317 26.072 -9.044 1.00 0.00 C ATOM 1241 CD LYS A 78 89.712 27.087 -10.018 1.00 0.00 C ATOM 1242 CE LYS A 78 89.444 28.403 -9.281 1.00 0.00 C ATOM 1243 NZ LYS A 78 88.357 29.062 -10.058 1.00 0.00 N ATOM 0 H LYS A 78 91.247 22.773 -11.045 1.00 0.00 H new ATOM 0 HA LYS A 78 91.663 25.720 -11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 78 89.617 24.471 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 78 90.681 23.942 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 78 89.661 25.943 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 78 91.271 26.439 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.392 27.257 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 78 88.785 26.697 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 78 89.140 28.224 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.338 29.026 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 88.116 29.972 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 88.678 29.226 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 87.517 28.449 -10.068 1.00 0.00 H new ATOM 1257 N LEU A 79 93.674 26.054 -9.954 1.00 0.00 N ATOM 1258 CA LEU A 79 94.956 26.221 -9.204 1.00 0.00 C ATOM 1259 C LEU A 79 94.723 27.054 -7.941 1.00 0.00 C ATOM 1260 O LEU A 79 93.914 27.964 -7.932 1.00 0.00 O ATOM 1261 CB LEU A 79 95.888 26.954 -10.170 1.00 0.00 C ATOM 1262 CG LEU A 79 97.314 26.931 -9.620 1.00 0.00 C ATOM 1263 CD1 LEU A 79 97.916 25.539 -9.818 1.00 0.00 C ATOM 1264 CD2 LEU A 79 98.163 27.963 -10.365 1.00 0.00 C ATOM 0 H LEU A 79 93.372 26.876 -10.477 1.00 0.00 H new ATOM 0 HA LEU A 79 95.375 25.268 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 79 95.858 26.480 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 79 95.555 27.983 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 79 97.297 27.171 -8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 79 98.933 25.523 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 79 97.311 24.802 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 79 97.933 25.298 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 79 99.180 27.948 -9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 79 98.179 27.722 -11.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 97.735 28.956 -10.225 1.00 0.00 H new ATOM 1276 N LYS A 80 95.428 26.749 -6.877 1.00 0.00 N ATOM 1277 CA LYS A 80 95.238 27.502 -5.590 1.00 0.00 C ATOM 1278 C LYS A 80 95.571 28.988 -5.779 1.00 0.00 C ATOM 1279 O LYS A 80 94.978 29.847 -5.152 1.00 0.00 O ATOM 1280 CB LYS A 80 96.210 26.864 -4.594 1.00 0.00 C ATOM 1281 CG LYS A 80 95.777 25.425 -4.306 1.00 0.00 C ATOM 1282 CD LYS A 80 96.677 24.828 -3.222 1.00 0.00 C ATOM 1283 CE LYS A 80 96.319 23.355 -3.014 1.00 0.00 C ATOM 1284 NZ LYS A 80 96.766 23.043 -1.629 1.00 0.00 N ATOM 0 H LYS A 80 96.129 26.009 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 80 94.206 27.449 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 97.222 26.876 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.230 27.441 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 80 94.737 25.405 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 80 95.839 24.827 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 80 97.724 24.921 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 80 96.554 25.378 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 80 95.248 23.189 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 80 96.821 22.720 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 96.554 22.048 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 97.790 23.204 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 96.266 23.658 -0.956 1.00 0.00 H new ATOM 1298 N SER A 81 96.512 29.292 -6.641 1.00 0.00 N ATOM 1299 CA SER A 81 96.889 30.724 -6.888 1.00 0.00 C ATOM 1300 C SER A 81 95.703 31.497 -7.476 1.00 0.00 C ATOM 1301 O SER A 81 95.538 32.677 -7.224 1.00 0.00 O ATOM 1302 CB SER A 81 98.043 30.675 -7.892 1.00 0.00 C ATOM 1303 OG SER A 81 99.081 29.853 -7.375 1.00 0.00 O ATOM 0 H SER A 81 97.038 28.609 -7.187 1.00 0.00 H new ATOM 0 HA SER A 81 97.174 31.231 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.693 30.282 -8.846 1.00 0.00 H new ATOM 0 HB3 SER A 81 98.419 31.680 -8.080 1.00 0.00 H new ATOM 0 HG SER A 81 99.821 29.818 -8.017 1.00 0.00 H new ATOM 1309 N ALA A 82 94.879 30.838 -8.256 1.00 0.00 N ATOM 1310 CA ALA A 82 93.693 31.526 -8.864 1.00 0.00 C ATOM 1311 C ALA A 82 92.696 31.938 -7.774 1.00 0.00 C ATOM 1312 O ALA A 82 92.017 32.940 -7.893 1.00 0.00 O ATOM 1313 CB ALA A 82 93.060 30.494 -9.802 1.00 0.00 C ATOM 0 H ALA A 82 94.976 29.852 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 82 93.980 32.434 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 82 92.184 30.929 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 82 93.784 30.201 -10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 82 92.761 29.616 -9.229 1.00 0.00 H new ATOM 1319 N GLU A 83 92.610 31.170 -6.714 1.00 0.00 N ATOM 1320 CA GLU A 83 91.665 31.510 -5.606 1.00 0.00 C ATOM 1321 C GLU A 83 92.413 32.225 -4.476 1.00 0.00 C ATOM 1322 O GLU A 83 93.618 32.106 -4.347 1.00 0.00 O ATOM 1323 CB GLU A 83 91.119 30.166 -5.120 1.00 0.00 C ATOM 1324 CG GLU A 83 90.261 29.532 -6.220 1.00 0.00 C ATOM 1325 CD GLU A 83 89.623 28.239 -5.701 1.00 0.00 C ATOM 1326 OE1 GLU A 83 90.280 27.531 -4.953 1.00 0.00 O ATOM 1327 OE2 GLU A 83 88.488 27.977 -6.062 1.00 0.00 O ATOM 0 H GLU A 83 93.156 30.320 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 83 90.868 32.177 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 83 91.942 29.501 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 83 90.524 30.308 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 83 89.485 30.229 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 83 90.875 29.320 -7.095 1.00 0.00 H new ATOM 1334 N THR A 84 91.703 32.967 -3.659 1.00 0.00 N ATOM 1335 CA THR A 84 92.365 33.712 -2.536 1.00 0.00 C ATOM 1336 C THR A 84 92.977 32.728 -1.531 1.00 0.00 C ATOM 1337 O THR A 84 94.061 32.949 -1.021 1.00 0.00 O ATOM 1338 CB THR A 84 91.250 34.528 -1.875 1.00 0.00 C ATOM 1339 OG1 THR A 84 90.547 35.258 -2.871 1.00 0.00 O ATOM 1340 CG2 THR A 84 91.856 35.501 -0.861 1.00 0.00 C ATOM 0 H THR A 84 90.692 33.090 -3.720 1.00 0.00 H new ATOM 0 HA THR A 84 93.175 34.348 -2.892 1.00 0.00 H new ATOM 0 HB THR A 84 90.563 33.855 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.832 35.780 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.060 36.080 -0.392 1.00 0.00 H new ATOM 0 HG22 THR A 84 92.396 34.941 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 84 92.544 36.176 -1.370 1.00 0.00 H new ATOM 1348 N TYR A 85 92.288 31.651 -1.246 1.00 0.00 N ATOM 1349 CA TYR A 85 92.826 30.638 -0.287 1.00 0.00 C ATOM 1350 C TYR A 85 92.138 29.286 -0.502 1.00 0.00 C ATOM 1351 O TYR A 85 92.769 28.317 -0.881 1.00 0.00 O ATOM 1352 CB TYR A 85 92.505 31.197 1.100 1.00 0.00 C ATOM 1353 CG TYR A 85 93.043 30.351 2.231 1.00 0.00 C ATOM 1354 CD1 TYR A 85 94.379 30.523 2.670 1.00 0.00 C ATOM 1355 CD2 TYR A 85 92.211 29.388 2.851 1.00 0.00 C ATOM 1356 CE1 TYR A 85 94.882 29.729 3.730 1.00 0.00 C ATOM 1357 CE2 TYR A 85 92.716 28.595 3.911 1.00 0.00 C ATOM 1358 CZ TYR A 85 94.051 28.766 4.350 1.00 0.00 C ATOM 1359 OH TYR A 85 94.542 27.993 5.383 1.00 0.00 O ATOM 0 H TYR A 85 91.373 31.429 -1.638 1.00 0.00 H new ATOM 0 HA TYR A 85 93.895 30.469 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 85 92.917 32.203 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.424 31.286 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 85 95.013 31.258 2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 85 91.192 29.258 2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 85 95.900 29.859 4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 85 92.082 27.860 4.384 1.00 0.00 H new ATOM 0 HH TYR A 85 93.842 27.383 5.697 1.00 0.00 H new ATOM 1369 N SER A 86 90.850 29.217 -0.261 1.00 0.00 N ATOM 1370 CA SER A 86 90.113 27.930 -0.444 1.00 0.00 C ATOM 1371 C SER A 86 88.723 28.195 -1.029 1.00 0.00 C ATOM 1372 O SER A 86 88.088 29.185 -0.715 1.00 0.00 O ATOM 1373 CB SER A 86 90.000 27.335 0.958 1.00 0.00 C ATOM 1374 OG SER A 86 91.302 27.099 1.474 1.00 0.00 O ATOM 0 H SER A 86 90.278 30.000 0.055 1.00 0.00 H new ATOM 0 HA SER A 86 90.624 27.256 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 86 89.455 28.016 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 86 89.435 26.404 0.926 1.00 0.00 H new ATOM 0 HG SER A 86 91.417 27.596 2.311 1.00 0.00 H new ATOM 1380 N SER A 87 88.248 27.314 -1.879 1.00 0.00 N ATOM 1381 CA SER A 87 86.883 27.490 -2.473 1.00 0.00 C ATOM 1382 C SER A 87 85.811 27.329 -1.390 1.00 0.00 C ATOM 1383 O SER A 87 84.793 27.996 -1.412 1.00 0.00 O ATOM 1384 CB SER A 87 86.749 26.388 -3.525 1.00 0.00 C ATOM 1385 OG SER A 87 85.546 26.581 -4.257 1.00 0.00 O ATOM 0 H SER A 87 88.747 26.480 -2.187 1.00 0.00 H new ATOM 0 HA SER A 87 86.753 28.481 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.605 26.407 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 87 86.743 25.410 -3.045 1.00 0.00 H new ATOM 0 HG SER A 87 85.458 25.877 -4.933 1.00 0.00 H new ATOM 1391 N LYS A 88 86.037 26.447 -0.447 1.00 0.00 N ATOM 1392 CA LYS A 88 85.039 26.230 0.646 1.00 0.00 C ATOM 1393 C LYS A 88 85.536 26.862 1.948 1.00 0.00 C ATOM 1394 O LYS A 88 86.721 27.077 2.129 1.00 0.00 O ATOM 1395 CB LYS A 88 84.935 24.710 0.793 1.00 0.00 C ATOM 1396 CG LYS A 88 84.298 24.115 -0.465 1.00 0.00 C ATOM 1397 CD LYS A 88 84.096 22.611 -0.271 1.00 0.00 C ATOM 1398 CE LYS A 88 83.568 21.995 -1.569 1.00 0.00 C ATOM 1399 NZ LYS A 88 82.095 22.212 -1.526 1.00 0.00 N ATOM 0 H LYS A 88 86.873 25.866 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 88 84.074 26.684 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.925 24.281 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.337 24.459 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 88 83.342 24.598 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.935 24.299 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 88 85.038 22.140 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 88 83.393 22.430 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 88 84.012 22.473 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 88 83.809 20.934 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 81.657 21.786 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.704 21.769 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 81.895 23.232 -1.510 1.00 0.00 H new ATOM 1413 N ASN A 89 84.637 27.161 2.854 1.00 0.00 N ATOM 1414 CA ASN A 89 85.045 27.777 4.153 1.00 0.00 C ATOM 1415 C ASN A 89 85.185 26.697 5.229 1.00 0.00 C ATOM 1416 O ASN A 89 84.209 26.112 5.662 1.00 0.00 O ATOM 1417 CB ASN A 89 83.912 28.744 4.506 1.00 0.00 C ATOM 1418 CG ASN A 89 84.324 29.600 5.706 1.00 0.00 C ATOM 1419 OD1 ASN A 89 83.862 29.382 6.809 1.00 0.00 O ATOM 1420 ND2 ASN A 89 85.177 30.571 5.537 1.00 0.00 N ATOM 0 H ASN A 89 83.635 27.004 2.748 1.00 0.00 H new ATOM 0 HA ASN A 89 86.007 28.284 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 89 83.685 29.382 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 89 83.004 28.187 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 89 85.457 31.148 6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 89 85.565 30.754 4.611 1.00 0.00 H new ATOM 1427 N LYS A 90 86.394 26.431 5.660 1.00 0.00 N ATOM 1428 CA LYS A 90 86.615 25.392 6.712 1.00 0.00 C ATOM 1429 C LYS A 90 86.833 26.056 8.074 1.00 0.00 C ATOM 1430 O LYS A 90 87.375 27.143 8.162 1.00 0.00 O ATOM 1431 CB LYS A 90 87.874 24.642 6.274 1.00 0.00 C ATOM 1432 CG LYS A 90 87.587 23.867 4.986 1.00 0.00 C ATOM 1433 CD LYS A 90 88.814 23.033 4.607 1.00 0.00 C ATOM 1434 CE LYS A 90 88.569 22.348 3.260 1.00 0.00 C ATOM 1435 NZ LYS A 90 87.804 21.113 3.591 1.00 0.00 N ATOM 0 H LYS A 90 87.241 26.892 5.326 1.00 0.00 H new ATOM 0 HA LYS A 90 85.760 24.724 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 90 88.691 25.345 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 90 88.193 23.957 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 90 86.722 23.218 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 90 87.341 24.559 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 90 89.696 23.670 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 90 89.011 22.286 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 90 88.006 22.993 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 90 89.509 22.109 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 87.642 20.562 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 88.346 20.540 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 86.889 21.374 4.012 1.00 0.00 H new ATOM 1449 N TRP A 91 86.413 25.408 9.135 1.00 0.00 N ATOM 1450 CA TRP A 91 86.590 25.992 10.499 1.00 0.00 C ATOM 1451 C TRP A 91 87.724 25.274 11.238 1.00 0.00 C ATOM 1452 O TRP A 91 87.767 24.059 11.292 1.00 0.00 O ATOM 1453 CB TRP A 91 85.257 25.755 11.209 1.00 0.00 C ATOM 1454 CG TRP A 91 84.104 26.458 10.563 1.00 0.00 C ATOM 1455 CD1 TRP A 91 83.859 27.788 10.647 1.00 0.00 C ATOM 1456 CD2 TRP A 91 83.041 25.896 9.742 1.00 0.00 C ATOM 1457 NE1 TRP A 91 82.711 28.083 9.929 1.00 0.00 N ATOM 1458 CE2 TRP A 91 82.167 26.954 9.350 1.00 0.00 C ATOM 1459 CE3 TRP A 91 82.745 24.577 9.295 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 81.034 26.716 8.542 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 81.607 24.332 8.483 1.00 0.00 C ATOM 1462 CH2 TRP A 91 80.753 25.401 8.107 1.00 0.00 C ATOM 0 H TRP A 91 85.954 24.497 9.113 1.00 0.00 H new ATOM 0 HA TRP A 91 86.851 27.050 10.464 1.00 0.00 H new ATOM 0 HB2 TRP A 91 85.052 24.685 11.233 1.00 0.00 H new ATOM 0 HB3 TRP A 91 85.341 26.087 12.244 1.00 0.00 H new ATOM 0 HD1 TRP A 91 84.462 28.503 11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 91 82.316 29.019 9.839 1.00 0.00 H new ATOM 0 HE3 TRP A 91 83.390 23.758 9.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 80.387 27.533 8.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 81.390 23.328 8.150 1.00 0.00 H new ATOM 0 HH2 TRP A 91 79.888 25.210 7.489 1.00 0.00 H new ATOM 1473 N SER A 92 88.641 26.022 11.804 1.00 0.00 N ATOM 1474 CA SER A 92 89.776 25.393 12.550 1.00 0.00 C ATOM 1475 C SER A 92 89.402 25.195 14.022 1.00 0.00 C ATOM 1476 O SER A 92 89.829 24.246 14.655 1.00 0.00 O ATOM 1477 CB SER A 92 90.937 26.381 12.419 1.00 0.00 C ATOM 1478 OG SER A 92 90.629 27.565 13.141 1.00 0.00 O ATOM 0 H SER A 92 88.652 27.042 11.781 1.00 0.00 H new ATOM 0 HA SER A 92 90.032 24.410 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 92 91.854 25.935 12.803 1.00 0.00 H new ATOM 0 HB3 SER A 92 91.113 26.617 11.369 1.00 0.00 H new ATOM 0 HG SER A 92 91.371 28.200 13.061 1.00 0.00 H new ATOM 1484 N MET A 93 88.606 26.085 14.568 1.00 0.00 N ATOM 1485 CA MET A 93 88.198 25.959 16.006 1.00 0.00 C ATOM 1486 C MET A 93 87.312 24.724 16.201 1.00 0.00 C ATOM 1487 O MET A 93 87.386 24.053 17.215 1.00 0.00 O ATOM 1488 CB MET A 93 87.414 27.235 16.321 1.00 0.00 C ATOM 1489 CG MET A 93 88.356 28.439 16.273 1.00 0.00 C ATOM 1490 SD MET A 93 87.459 29.929 16.776 1.00 0.00 S ATOM 1491 CE MET A 93 88.798 31.109 16.482 1.00 0.00 C ATOM 0 H MET A 93 88.221 26.894 14.080 1.00 0.00 H new ATOM 0 HA MET A 93 89.059 25.841 16.664 1.00 0.00 H new ATOM 0 HB2 MET A 93 86.605 27.364 15.602 1.00 0.00 H new ATOM 0 HB3 MET A 93 86.955 27.158 17.307 1.00 0.00 H new ATOM 0 HG2 MET A 93 89.208 28.274 16.933 1.00 0.00 H new ATOM 0 HG3 MET A 93 88.753 28.564 15.266 1.00 0.00 H new ATOM 0 HE1 MET A 93 88.458 32.114 16.732 1.00 0.00 H new ATOM 0 HE2 MET A 93 89.654 30.850 17.105 1.00 0.00 H new ATOM 0 HE3 MET A 93 89.089 31.075 15.432 1.00 0.00 H new ATOM 1501 N ASP A 94 86.477 24.423 15.236 1.00 0.00 N ATOM 1502 CA ASP A 94 85.573 23.237 15.358 1.00 0.00 C ATOM 1503 C ASP A 94 86.277 21.980 14.838 1.00 0.00 C ATOM 1504 O ASP A 94 86.877 21.991 13.779 1.00 0.00 O ATOM 1505 CB ASP A 94 84.354 23.565 14.492 1.00 0.00 C ATOM 1506 CG ASP A 94 83.589 24.744 15.103 1.00 0.00 C ATOM 1507 OD1 ASP A 94 83.434 24.764 16.313 1.00 0.00 O ATOM 1508 OD2 ASP A 94 83.172 25.607 14.347 1.00 0.00 O ATOM 0 H ASP A 94 86.383 24.949 14.367 1.00 0.00 H new ATOM 0 HA ASP A 94 85.292 23.042 16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 94 84.671 23.811 13.479 1.00 0.00 H new ATOM 0 HB3 ASP A 94 83.702 22.694 14.420 1.00 0.00 H new ATOM 1513 N CYS A 95 86.204 20.900 15.577 1.00 0.00 N ATOM 1514 CA CYS A 95 86.856 19.629 15.132 1.00 0.00 C ATOM 1515 C CYS A 95 86.062 18.417 15.637 1.00 0.00 C ATOM 1516 O CYS A 95 85.398 18.482 16.655 1.00 0.00 O ATOM 1517 CB CYS A 95 88.273 19.654 15.734 1.00 0.00 C ATOM 1518 SG CYS A 95 88.208 19.786 17.546 1.00 0.00 S ATOM 0 H CYS A 95 85.719 20.844 16.473 1.00 0.00 H new ATOM 0 HA CYS A 95 86.891 19.548 14.046 1.00 0.00 H new ATOM 0 HB2 CYS A 95 88.808 18.748 15.451 1.00 0.00 H new ATOM 0 HB3 CYS A 95 88.831 20.496 15.324 1.00 0.00 H new ATOM 0 HG CYS A 95 87.077 19.310 17.975 1.00 0.00 H new ATOM 1524 N ASP A 96 86.129 17.315 14.929 1.00 0.00 N ATOM 1525 CA ASP A 96 85.384 16.090 15.358 1.00 0.00 C ATOM 1526 C ASP A 96 86.359 15.029 15.884 1.00 0.00 C ATOM 1527 O ASP A 96 87.510 14.984 15.490 1.00 0.00 O ATOM 1528 CB ASP A 96 84.651 15.591 14.100 1.00 0.00 C ATOM 1529 CG ASP A 96 85.651 15.260 12.985 1.00 0.00 C ATOM 1530 OD1 ASP A 96 86.339 16.166 12.544 1.00 0.00 O ATOM 1531 OD2 ASP A 96 85.712 14.106 12.593 1.00 0.00 O ATOM 0 H ASP A 96 86.669 17.211 14.070 1.00 0.00 H new ATOM 0 HA ASP A 96 84.685 16.300 16.168 1.00 0.00 H new ATOM 0 HB2 ASP A 96 84.063 14.706 14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 96 83.952 16.353 13.754 1.00 0.00 H new ATOM 1536 N GLU A 97 85.902 14.178 16.771 1.00 0.00 N ATOM 1537 CA GLU A 97 86.788 13.111 17.329 1.00 0.00 C ATOM 1538 C GLU A 97 86.128 11.738 17.169 1.00 0.00 C ATOM 1539 O GLU A 97 84.919 11.632 17.066 1.00 0.00 O ATOM 1540 CB GLU A 97 86.947 13.460 18.811 1.00 0.00 C ATOM 1541 CG GLU A 97 87.726 14.772 18.956 1.00 0.00 C ATOM 1542 CD GLU A 97 89.182 14.562 18.531 1.00 0.00 C ATOM 1543 OE1 GLU A 97 89.716 15.435 17.867 1.00 0.00 O ATOM 1544 OE2 GLU A 97 89.741 13.534 18.880 1.00 0.00 O ATOM 0 H GLU A 97 84.949 14.178 17.133 1.00 0.00 H new ATOM 0 HA GLU A 97 87.749 13.064 16.817 1.00 0.00 H new ATOM 0 HB2 GLU A 97 85.967 13.555 19.279 1.00 0.00 H new ATOM 0 HB3 GLU A 97 87.471 12.657 19.329 1.00 0.00 H new ATOM 0 HG2 GLU A 97 87.267 15.547 18.343 1.00 0.00 H new ATOM 0 HG3 GLU A 97 87.686 15.117 19.989 1.00 0.00 H new ATOM 1551 N GLU A 98 86.915 10.691 17.150 1.00 0.00 N ATOM 1552 CA GLU A 98 86.345 9.316 17.006 1.00 0.00 C ATOM 1553 C GLU A 98 86.371 8.590 18.354 1.00 0.00 C ATOM 1554 O GLU A 98 87.254 8.803 19.164 1.00 0.00 O ATOM 1555 CB GLU A 98 87.254 8.610 15.998 1.00 0.00 C ATOM 1556 CG GLU A 98 87.109 9.270 14.623 1.00 0.00 C ATOM 1557 CD GLU A 98 87.962 8.520 13.597 1.00 0.00 C ATOM 1558 OE1 GLU A 98 87.974 7.300 13.641 1.00 0.00 O ATOM 1559 OE2 GLU A 98 88.589 9.179 12.785 1.00 0.00 O ATOM 0 H GLU A 98 87.931 10.730 17.228 1.00 0.00 H new ATOM 0 HA GLU A 98 85.307 9.333 16.674 1.00 0.00 H new ATOM 0 HB2 GLU A 98 88.291 8.662 16.330 1.00 0.00 H new ATOM 0 HB3 GLU A 98 86.992 7.554 15.935 1.00 0.00 H new ATOM 0 HG2 GLU A 98 86.064 9.264 14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 98 87.420 10.313 14.675 1.00 0.00 H new ATOM 1566 N PHE A 99 85.410 7.732 18.595 1.00 0.00 N ATOM 1567 CA PHE A 99 85.361 6.990 19.892 1.00 0.00 C ATOM 1568 C PHE A 99 84.968 5.527 19.655 1.00 0.00 C ATOM 1569 O PHE A 99 84.472 5.175 18.600 1.00 0.00 O ATOM 1570 CB PHE A 99 84.295 7.711 20.726 1.00 0.00 C ATOM 1571 CG PHE A 99 82.926 7.738 20.083 1.00 0.00 C ATOM 1572 CD1 PHE A 99 81.966 6.753 20.421 1.00 0.00 C ATOM 1573 CD2 PHE A 99 82.605 8.747 19.143 1.00 0.00 C ATOM 1574 CE1 PHE A 99 80.683 6.779 19.820 1.00 0.00 C ATOM 1575 CE2 PHE A 99 81.323 8.772 18.541 1.00 0.00 C ATOM 1576 CZ PHE A 99 80.362 7.788 18.880 1.00 0.00 C ATOM 0 H PHE A 99 84.654 7.513 17.946 1.00 0.00 H new ATOM 0 HA PHE A 99 86.328 6.977 20.395 1.00 0.00 H new ATOM 0 HB2 PHE A 99 84.219 7.225 21.699 1.00 0.00 H new ATOM 0 HB3 PHE A 99 84.621 8.735 20.906 1.00 0.00 H new ATOM 0 HD1 PHE A 99 82.212 5.982 21.137 1.00 0.00 H new ATOM 0 HD2 PHE A 99 83.338 9.498 18.885 1.00 0.00 H new ATOM 0 HE1 PHE A 99 79.950 6.029 20.079 1.00 0.00 H new ATOM 0 HE2 PHE A 99 81.078 9.541 17.824 1.00 0.00 H new ATOM 0 HZ PHE A 99 79.384 7.807 18.421 1.00 0.00 H new ATOM 1586 N ASP A 100 85.189 4.679 20.629 1.00 0.00 N ATOM 1587 CA ASP A 100 84.835 3.234 20.474 1.00 0.00 C ATOM 1588 C ASP A 100 84.325 2.665 21.805 1.00 0.00 C ATOM 1589 O ASP A 100 84.316 3.345 22.815 1.00 0.00 O ATOM 1590 CB ASP A 100 86.135 2.537 20.039 1.00 0.00 C ATOM 1591 CG ASP A 100 87.239 2.754 21.084 1.00 0.00 C ATOM 1592 OD1 ASP A 100 87.265 2.011 22.052 1.00 0.00 O ATOM 1593 OD2 ASP A 100 88.036 3.658 20.896 1.00 0.00 O ATOM 0 H ASP A 100 85.601 4.927 21.529 1.00 0.00 H new ATOM 0 HA ASP A 100 84.040 3.083 19.744 1.00 0.00 H new ATOM 0 HB2 ASP A 100 85.956 1.470 19.907 1.00 0.00 H new ATOM 0 HB3 ASP A 100 86.458 2.927 19.074 1.00 0.00 H new ATOM 1598 N PHE A 101 83.903 1.424 21.807 1.00 0.00 N ATOM 1599 CA PHE A 101 83.388 0.800 23.063 1.00 0.00 C ATOM 1600 C PHE A 101 84.444 -0.135 23.661 1.00 0.00 C ATOM 1601 O PHE A 101 85.004 -0.969 22.972 1.00 0.00 O ATOM 1602 CB PHE A 101 82.153 0.007 22.635 1.00 0.00 C ATOM 1603 CG PHE A 101 81.050 0.870 22.068 1.00 0.00 C ATOM 1604 CD1 PHE A 101 80.938 1.047 20.668 1.00 0.00 C ATOM 1605 CD2 PHE A 101 80.128 1.502 22.937 1.00 0.00 C ATOM 1606 CE1 PHE A 101 79.904 1.855 20.136 1.00 0.00 C ATOM 1607 CE2 PHE A 101 79.093 2.311 22.406 1.00 0.00 C ATOM 1608 CZ PHE A 101 78.981 2.487 21.005 1.00 0.00 C ATOM 0 H PHE A 101 83.894 0.815 20.989 1.00 0.00 H new ATOM 0 HA PHE A 101 83.152 1.543 23.825 1.00 0.00 H new ATOM 0 HB2 PHE A 101 82.446 -0.732 21.889 1.00 0.00 H new ATOM 0 HB3 PHE A 101 81.768 -0.543 23.494 1.00 0.00 H new ATOM 0 HD1 PHE A 101 81.642 0.565 20.005 1.00 0.00 H new ATOM 0 HD2 PHE A 101 80.214 1.367 24.005 1.00 0.00 H new ATOM 0 HE1 PHE A 101 79.819 1.989 19.068 1.00 0.00 H new ATOM 0 HE2 PHE A 101 78.390 2.793 23.069 1.00 0.00 H new ATOM 0 HZ PHE A 101 78.192 3.103 20.599 1.00 0.00 H new ATOM 1618 N ALA A 102 84.715 0.000 24.936 1.00 0.00 N ATOM 1619 CA ALA A 102 85.735 -0.874 25.592 1.00 0.00 C ATOM 1620 C ALA A 102 85.045 -1.935 26.456 1.00 0.00 C ATOM 1621 O ALA A 102 84.115 -1.642 27.185 1.00 0.00 O ATOM 1622 CB ALA A 102 86.564 0.069 26.463 1.00 0.00 C ATOM 0 H ALA A 102 84.271 0.681 25.552 1.00 0.00 H new ATOM 0 HA ALA A 102 86.351 -1.406 24.867 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.338 -0.499 26.980 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.030 0.829 25.835 1.00 0.00 H new ATOM 0 HB3 ALA A 102 85.917 0.551 27.196 1.00 0.00 H new ATOM 1628 N ALA A 103 85.498 -3.162 26.376 1.00 0.00 N ATOM 1629 CA ALA A 103 84.884 -4.252 27.195 1.00 0.00 C ATOM 1630 C ALA A 103 85.678 -4.454 28.489 1.00 0.00 C ATOM 1631 O ALA A 103 85.120 -4.766 29.525 1.00 0.00 O ATOM 1632 CB ALA A 103 84.962 -5.502 26.318 1.00 0.00 C ATOM 0 H ALA A 103 86.269 -3.456 25.777 1.00 0.00 H new ATOM 0 HA ALA A 103 83.859 -4.021 27.484 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.529 -6.348 26.852 1.00 0.00 H new ATOM 0 HB2 ALA A 103 84.408 -5.334 25.394 1.00 0.00 H new ATOM 0 HB3 ALA A 103 86.004 -5.716 26.082 1.00 0.00 H new ATOM 1638 N ASN A 104 86.977 -4.278 28.433 1.00 0.00 N ATOM 1639 CA ASN A 104 87.826 -4.471 29.655 1.00 0.00 C ATOM 1640 C ASN A 104 87.476 -3.427 30.721 1.00 0.00 C ATOM 1641 O ASN A 104 87.534 -3.699 31.907 1.00 0.00 O ATOM 1642 CB ASN A 104 89.272 -4.289 29.184 1.00 0.00 C ATOM 1643 CG ASN A 104 89.644 -5.418 28.219 1.00 0.00 C ATOM 1644 OD1 ASN A 104 89.238 -6.549 28.401 1.00 0.00 O ATOM 1645 ND2 ASN A 104 90.406 -5.157 27.192 1.00 0.00 N ATOM 0 H ASN A 104 87.488 -4.008 27.592 1.00 0.00 H new ATOM 0 HA ASN A 104 87.668 -5.451 30.105 1.00 0.00 H new ATOM 0 HB2 ASN A 104 89.386 -3.323 28.691 1.00 0.00 H new ATOM 0 HB3 ASN A 104 89.947 -4.291 30.040 1.00 0.00 H new ATOM 0 HD21 ASN A 104 90.660 -5.902 26.543 1.00 0.00 H new ATOM 0 HD22 ASN A 104 90.747 -4.208 27.038 1.00 0.00 H new ATOM 1652 N LEU A 105 87.114 -2.239 30.303 1.00 0.00 N ATOM 1653 CA LEU A 105 86.753 -1.168 31.284 1.00 0.00 C ATOM 1654 C LEU A 105 85.241 -1.163 31.528 1.00 0.00 C ATOM 1655 O LEU A 105 84.459 -1.360 30.617 1.00 0.00 O ATOM 1656 CB LEU A 105 87.196 0.143 30.629 1.00 0.00 C ATOM 1657 CG LEU A 105 88.723 0.246 30.663 1.00 0.00 C ATOM 1658 CD1 LEU A 105 89.317 -0.525 29.481 1.00 0.00 C ATOM 1659 CD2 LEU A 105 89.136 1.716 30.568 1.00 0.00 C ATOM 0 H LEU A 105 87.053 -1.964 29.323 1.00 0.00 H new ATOM 0 HA LEU A 105 87.231 -1.319 32.252 1.00 0.00 H new ATOM 0 HB2 LEU A 105 86.842 0.184 29.599 1.00 0.00 H new ATOM 0 HB3 LEU A 105 86.753 0.990 31.152 1.00 0.00 H new ATOM 0 HG LEU A 105 89.093 -0.179 31.596 1.00 0.00 H new ATOM 0 HD11 LEU A 105 90.404 -0.450 29.507 1.00 0.00 H new ATOM 0 HD12 LEU A 105 89.024 -1.573 29.546 1.00 0.00 H new ATOM 0 HD13 LEU A 105 88.947 -0.102 28.547 1.00 0.00 H new ATOM 0 HD21 LEU A 105 90.223 1.791 30.592 1.00 0.00 H new ATOM 0 HD22 LEU A 105 88.764 2.139 29.635 1.00 0.00 H new ATOM 0 HD23 LEU A 105 88.716 2.267 31.409 1.00 0.00 H new ATOM 1671 N GLU A 106 84.831 -0.940 32.753 1.00 0.00 N ATOM 1672 CA GLU A 106 83.371 -0.930 33.074 1.00 0.00 C ATOM 1673 C GLU A 106 82.853 0.509 33.135 1.00 0.00 C ATOM 1674 O GLU A 106 83.562 1.414 33.539 1.00 0.00 O ATOM 1675 CB GLU A 106 83.258 -1.600 34.444 1.00 0.00 C ATOM 1676 CG GLU A 106 83.657 -3.073 34.332 1.00 0.00 C ATOM 1677 CD GLU A 106 83.477 -3.756 35.690 1.00 0.00 C ATOM 1678 OE1 GLU A 106 84.309 -3.537 36.555 1.00 0.00 O ATOM 1679 OE2 GLU A 106 82.513 -4.487 35.839 1.00 0.00 O ATOM 0 H GLU A 106 85.447 -0.764 33.546 1.00 0.00 H new ATOM 0 HA GLU A 106 82.780 -1.449 32.319 1.00 0.00 H new ATOM 0 HB2 GLU A 106 83.902 -1.092 35.162 1.00 0.00 H new ATOM 0 HB3 GLU A 106 82.237 -1.517 34.817 1.00 0.00 H new ATOM 0 HG2 GLU A 106 83.045 -3.570 33.579 1.00 0.00 H new ATOM 0 HG3 GLU A 106 84.694 -3.156 34.006 1.00 0.00 H new ATOM 1686 N LYS A 107 81.622 0.724 32.738 1.00 0.00 N ATOM 1687 CA LYS A 107 81.042 2.101 32.772 1.00 0.00 C ATOM 1688 C LYS A 107 80.140 2.263 33.999 1.00 0.00 C ATOM 1689 O LYS A 107 79.559 1.307 34.481 1.00 0.00 O ATOM 1690 CB LYS A 107 80.220 2.225 31.485 1.00 0.00 C ATOM 1691 CG LYS A 107 81.145 2.135 30.266 1.00 0.00 C ATOM 1692 CD LYS A 107 82.009 3.396 30.179 1.00 0.00 C ATOM 1693 CE LYS A 107 82.805 3.381 28.873 1.00 0.00 C ATOM 1694 NZ LYS A 107 83.694 4.574 28.950 1.00 0.00 N ATOM 0 H LYS A 107 80.992 0.001 32.391 1.00 0.00 H new ATOM 0 HA LYS A 107 81.813 2.869 32.836 1.00 0.00 H new ATOM 0 HB2 LYS A 107 79.471 1.434 31.444 1.00 0.00 H new ATOM 0 HB3 LYS A 107 79.683 3.173 31.476 1.00 0.00 H new ATOM 0 HG2 LYS A 107 81.780 1.252 30.344 1.00 0.00 H new ATOM 0 HG3 LYS A 107 80.554 2.024 29.357 1.00 0.00 H new ATOM 0 HD2 LYS A 107 81.379 4.285 30.223 1.00 0.00 H new ATOM 0 HD3 LYS A 107 82.688 3.444 31.030 1.00 0.00 H new ATOM 0 HE2 LYS A 107 83.384 2.463 28.774 1.00 0.00 H new ATOM 0 HE3 LYS A 107 82.145 3.436 28.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 84.273 4.632 28.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 83.115 5.433 29.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 84.316 4.491 29.779 1.00 0.00 H new ATOM 1708 N PHE A 108 80.022 3.467 34.506 1.00 0.00 N ATOM 1709 CA PHE A 108 79.159 3.704 35.704 1.00 0.00 C ATOM 1710 C PHE A 108 77.785 4.245 35.285 1.00 0.00 C ATOM 1711 O PHE A 108 77.120 4.919 36.051 1.00 0.00 O ATOM 1712 CB PHE A 108 79.912 4.745 36.532 1.00 0.00 C ATOM 1713 CG PHE A 108 81.251 4.259 37.036 1.00 0.00 C ATOM 1714 CD1 PHE A 108 81.330 3.534 38.249 1.00 0.00 C ATOM 1715 CD2 PHE A 108 82.426 4.529 36.294 1.00 0.00 C ATOM 1716 CE1 PHE A 108 82.585 3.079 38.723 1.00 0.00 C ATOM 1717 CE2 PHE A 108 83.682 4.074 36.767 1.00 0.00 C ATOM 1718 CZ PHE A 108 83.761 3.348 37.981 1.00 0.00 C ATOM 0 H PHE A 108 80.488 4.297 34.140 1.00 0.00 H new ATOM 0 HA PHE A 108 78.976 2.786 36.263 1.00 0.00 H new ATOM 0 HB2 PHE A 108 80.063 5.639 35.927 1.00 0.00 H new ATOM 0 HB3 PHE A 108 79.296 5.036 37.383 1.00 0.00 H new ATOM 0 HD1 PHE A 108 80.433 3.328 38.814 1.00 0.00 H new ATOM 0 HD2 PHE A 108 82.365 5.081 35.368 1.00 0.00 H new ATOM 0 HE1 PHE A 108 82.645 2.527 39.650 1.00 0.00 H new ATOM 0 HE2 PHE A 108 84.579 4.281 36.202 1.00 0.00 H new ATOM 0 HZ PHE A 108 84.718 3.000 38.341 1.00 0.00 H new ATOM 1728 N ASP A 109 77.357 3.955 34.077 1.00 0.00 N ATOM 1729 CA ASP A 109 76.029 4.458 33.603 1.00 0.00 C ATOM 1730 C ASP A 109 74.948 3.400 33.841 1.00 0.00 C ATOM 1731 O ASP A 109 75.113 2.245 33.492 1.00 0.00 O ATOM 1732 CB ASP A 109 76.209 4.713 32.105 1.00 0.00 C ATOM 1733 CG ASP A 109 77.199 5.862 31.891 1.00 0.00 C ATOM 1734 OD1 ASP A 109 77.101 6.846 32.607 1.00 0.00 O ATOM 1735 OD2 ASP A 109 78.040 5.738 31.015 1.00 0.00 O ATOM 0 H ASP A 109 77.871 3.391 33.400 1.00 0.00 H new ATOM 0 HA ASP A 109 75.717 5.358 34.133 1.00 0.00 H new ATOM 0 HB2 ASP A 109 76.573 3.811 31.614 1.00 0.00 H new ATOM 0 HB3 ASP A 109 75.249 4.958 31.650 1.00 0.00 H new ATOM 1740 N LYS A 110 73.845 3.788 34.434 1.00 0.00 N ATOM 1741 CA LYS A 110 72.740 2.817 34.700 1.00 0.00 C ATOM 1742 C LYS A 110 71.421 3.349 34.129 1.00 0.00 C ATOM 1743 O LYS A 110 71.300 4.522 33.838 1.00 0.00 O ATOM 1744 CB LYS A 110 72.661 2.711 36.224 1.00 0.00 C ATOM 1745 CG LYS A 110 73.935 2.052 36.759 1.00 0.00 C ATOM 1746 CD LYS A 110 73.806 1.844 38.270 1.00 0.00 C ATOM 1747 CE LYS A 110 75.121 1.291 38.823 1.00 0.00 C ATOM 1748 NZ LYS A 110 74.932 1.254 40.299 1.00 0.00 N ATOM 0 H LYS A 110 73.663 4.742 34.747 1.00 0.00 H new ATOM 0 HA LYS A 110 72.921 1.848 34.234 1.00 0.00 H new ATOM 0 HB2 LYS A 110 72.540 3.702 36.662 1.00 0.00 H new ATOM 0 HB3 LYS A 110 71.788 2.126 36.513 1.00 0.00 H new ATOM 0 HG2 LYS A 110 74.099 1.096 36.262 1.00 0.00 H new ATOM 0 HG3 LYS A 110 74.800 2.677 36.540 1.00 0.00 H new ATOM 0 HD2 LYS A 110 73.562 2.788 38.758 1.00 0.00 H new ATOM 0 HD3 LYS A 110 72.990 1.154 38.484 1.00 0.00 H new ATOM 0 HE2 LYS A 110 75.329 0.297 38.427 1.00 0.00 H new ATOM 0 HE3 LYS A 110 75.963 1.926 38.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 75.793 0.885 40.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 74.742 2.215 40.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 74.128 0.636 40.531 1.00 0.00 H new ATOM 1762 N LYS A 111 70.437 2.484 33.976 1.00 0.00 N ATOM 1763 CA LYS A 111 69.107 2.882 33.386 1.00 0.00 C ATOM 1764 C LYS A 111 69.260 3.296 31.915 1.00 0.00 C ATOM 1765 O LYS A 111 68.748 2.639 31.028 1.00 0.00 O ATOM 1766 CB LYS A 111 68.582 4.052 34.233 1.00 0.00 C ATOM 1767 CG LYS A 111 67.076 4.207 34.009 1.00 0.00 C ATOM 1768 CD LYS A 111 66.562 5.407 34.806 1.00 0.00 C ATOM 1769 CE LYS A 111 65.035 5.455 34.730 1.00 0.00 C ATOM 1770 NZ LYS A 111 64.569 4.503 35.777 1.00 0.00 N ATOM 0 H LYS A 111 70.501 1.501 34.240 1.00 0.00 H new ATOM 0 HA LYS A 111 68.409 2.045 33.403 1.00 0.00 H new ATOM 0 HB2 LYS A 111 68.787 3.872 35.288 1.00 0.00 H new ATOM 0 HB3 LYS A 111 69.098 4.973 33.961 1.00 0.00 H new ATOM 0 HG2 LYS A 111 66.868 4.346 32.948 1.00 0.00 H new ATOM 0 HG3 LYS A 111 66.556 3.301 34.320 1.00 0.00 H new ATOM 0 HD2 LYS A 111 66.883 5.331 35.845 1.00 0.00 H new ATOM 0 HD3 LYS A 111 66.986 6.329 34.408 1.00 0.00 H new ATOM 0 HE2 LYS A 111 64.662 6.462 34.917 1.00 0.00 H new ATOM 0 HE3 LYS A 111 64.679 5.161 33.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 63.619 4.779 36.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 64.535 3.542 35.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 65.227 4.523 36.582 1.00 0.00 H new ATOM 1784 N GLN A 112 69.957 4.377 31.650 1.00 0.00 N ATOM 1785 CA GLN A 112 70.124 4.853 30.234 1.00 0.00 C ATOM 1786 C GLN A 112 70.816 3.783 29.379 1.00 0.00 C ATOM 1787 O GLN A 112 70.580 3.684 28.189 1.00 0.00 O ATOM 1788 CB GLN A 112 70.999 6.108 30.326 1.00 0.00 C ATOM 1789 CG GLN A 112 70.237 7.212 31.061 1.00 0.00 C ATOM 1790 CD GLN A 112 71.096 8.477 31.116 1.00 0.00 C ATOM 1791 OE1 GLN A 112 71.971 8.594 31.951 1.00 0.00 O ATOM 1792 NE2 GLN A 112 70.881 9.434 30.255 1.00 0.00 N ATOM 0 H GLN A 112 70.419 4.953 32.354 1.00 0.00 H new ATOM 0 HA GLN A 112 69.162 5.059 29.764 1.00 0.00 H new ATOM 0 HB2 GLN A 112 71.926 5.880 30.852 1.00 0.00 H new ATOM 0 HB3 GLN A 112 71.275 6.446 29.327 1.00 0.00 H new ATOM 0 HG2 GLN A 112 69.296 7.420 30.551 1.00 0.00 H new ATOM 0 HG3 GLN A 112 69.987 6.886 32.070 1.00 0.00 H new ATOM 0 HE21 GLN A 112 70.146 9.334 29.555 1.00 0.00 H new ATOM 0 HE22 GLN A 112 71.448 10.282 30.282 1.00 0.00 H new ATOM 1801 N VAL A 113 71.666 2.984 29.979 1.00 0.00 N ATOM 1802 CA VAL A 113 72.370 1.910 29.211 1.00 0.00 C ATOM 1803 C VAL A 113 71.571 0.604 29.297 1.00 0.00 C ATOM 1804 O VAL A 113 71.059 0.250 30.343 1.00 0.00 O ATOM 1805 CB VAL A 113 73.744 1.757 29.885 1.00 0.00 C ATOM 1806 CG1 VAL A 113 74.569 0.692 29.155 1.00 0.00 C ATOM 1807 CG2 VAL A 113 74.499 3.090 29.832 1.00 0.00 C ATOM 0 H VAL A 113 71.903 3.030 30.970 1.00 0.00 H new ATOM 0 HA VAL A 113 72.473 2.155 28.154 1.00 0.00 H new ATOM 0 HB VAL A 113 73.594 1.458 30.922 1.00 0.00 H new ATOM 0 HG11 VAL A 113 75.541 0.590 29.638 1.00 0.00 H new ATOM 0 HG12 VAL A 113 74.044 -0.262 29.190 1.00 0.00 H new ATOM 0 HG13 VAL A 113 74.710 0.990 28.116 1.00 0.00 H new ATOM 0 HG21 VAL A 113 75.472 2.977 30.311 1.00 0.00 H new ATOM 0 HG22 VAL A 113 74.639 3.388 28.793 1.00 0.00 H new ATOM 0 HG23 VAL A 113 73.924 3.855 30.355 1.00 0.00 H new ATOM 1817 N PHE A 114 71.464 -0.109 28.201 1.00 0.00 N ATOM 1818 CA PHE A 114 70.677 -1.380 28.195 1.00 0.00 C ATOM 1819 C PHE A 114 71.615 -2.584 28.056 1.00 0.00 C ATOM 1820 O PHE A 114 72.691 -2.477 27.497 1.00 0.00 O ATOM 1821 CB PHE A 114 69.761 -1.273 26.977 1.00 0.00 C ATOM 1822 CG PHE A 114 68.782 -0.125 27.057 1.00 0.00 C ATOM 1823 CD1 PHE A 114 69.110 1.126 26.481 1.00 0.00 C ATOM 1824 CD2 PHE A 114 67.536 -0.301 27.707 1.00 0.00 C ATOM 1825 CE1 PHE A 114 68.192 2.202 26.555 1.00 0.00 C ATOM 1826 CE2 PHE A 114 66.618 0.775 27.781 1.00 0.00 C ATOM 1827 CZ PHE A 114 66.946 2.027 27.206 1.00 0.00 C ATOM 0 H PHE A 114 71.890 0.137 27.308 1.00 0.00 H new ATOM 0 HA PHE A 114 70.114 -1.521 29.118 1.00 0.00 H new ATOM 0 HB2 PHE A 114 70.372 -1.157 26.082 1.00 0.00 H new ATOM 0 HB3 PHE A 114 69.207 -2.205 26.866 1.00 0.00 H new ATOM 0 HD1 PHE A 114 70.060 1.260 25.985 1.00 0.00 H new ATOM 0 HD2 PHE A 114 67.286 -1.255 28.146 1.00 0.00 H new ATOM 0 HE1 PHE A 114 68.442 3.156 26.115 1.00 0.00 H new ATOM 0 HE2 PHE A 114 65.668 0.641 28.276 1.00 0.00 H new ATOM 0 HZ PHE A 114 66.247 2.848 27.264 1.00 0.00 H new ATOM 1837 N ALA A 115 71.210 -3.724 28.561 1.00 0.00 N ATOM 1838 CA ALA A 115 72.071 -4.948 28.463 1.00 0.00 C ATOM 1839 C ALA A 115 72.215 -5.385 27.001 1.00 0.00 C ATOM 1840 O ALA A 115 73.236 -5.914 26.603 1.00 0.00 O ATOM 1841 CB ALA A 115 71.344 -6.025 29.272 1.00 0.00 C ATOM 0 H ALA A 115 70.319 -3.861 29.038 1.00 0.00 H new ATOM 0 HA ALA A 115 73.077 -4.766 28.842 1.00 0.00 H new ATOM 0 HB1 ALA A 115 71.919 -6.951 29.244 1.00 0.00 H new ATOM 0 HB2 ALA A 115 71.238 -5.695 30.305 1.00 0.00 H new ATOM 0 HB3 ALA A 115 70.357 -6.198 28.843 1.00 0.00 H new ATOM 1847 N GLU A 116 71.197 -5.165 26.203 1.00 0.00 N ATOM 1848 CA GLU A 116 71.266 -5.556 24.761 1.00 0.00 C ATOM 1849 C GLU A 116 71.662 -4.348 23.907 1.00 0.00 C ATOM 1850 O GLU A 116 71.425 -3.212 24.278 1.00 0.00 O ATOM 1851 CB GLU A 116 69.853 -6.024 24.405 1.00 0.00 C ATOM 1852 CG GLU A 116 69.528 -7.309 25.173 1.00 0.00 C ATOM 1853 CD GLU A 116 68.147 -7.822 24.757 1.00 0.00 C ATOM 1854 OE1 GLU A 116 67.849 -7.780 23.574 1.00 0.00 O ATOM 1855 OE2 GLU A 116 67.410 -8.249 25.630 1.00 0.00 O ATOM 0 H GLU A 116 70.320 -4.730 26.490 1.00 0.00 H new ATOM 0 HA GLU A 116 72.008 -6.333 24.579 1.00 0.00 H new ATOM 0 HB2 GLU A 116 69.129 -5.248 24.652 1.00 0.00 H new ATOM 0 HB3 GLU A 116 69.777 -6.201 23.332 1.00 0.00 H new ATOM 0 HG2 GLU A 116 70.285 -8.067 24.970 1.00 0.00 H new ATOM 0 HG3 GLU A 116 69.548 -7.118 26.246 1.00 0.00 H new ATOM 1862 N PHE A 117 72.263 -4.588 22.767 1.00 0.00 N ATOM 1863 CA PHE A 117 72.694 -3.461 21.884 1.00 0.00 C ATOM 1864 C PHE A 117 71.727 -3.311 20.706 1.00 0.00 C ATOM 1865 O PHE A 117 71.400 -4.273 20.037 1.00 0.00 O ATOM 1866 CB PHE A 117 74.085 -3.856 21.388 1.00 0.00 C ATOM 1867 CG PHE A 117 75.105 -3.991 22.494 1.00 0.00 C ATOM 1868 CD1 PHE A 117 75.786 -2.845 22.973 1.00 0.00 C ATOM 1869 CD2 PHE A 117 75.380 -5.263 23.053 1.00 0.00 C ATOM 1870 CE1 PHE A 117 76.742 -2.971 24.010 1.00 0.00 C ATOM 1871 CE2 PHE A 117 76.337 -5.389 24.089 1.00 0.00 C ATOM 1872 CZ PHE A 117 77.017 -4.244 24.568 1.00 0.00 C ATOM 0 H PHE A 117 72.474 -5.520 22.409 1.00 0.00 H new ATOM 0 HA PHE A 117 72.704 -2.506 22.410 1.00 0.00 H new ATOM 0 HB2 PHE A 117 74.015 -4.802 20.852 1.00 0.00 H new ATOM 0 HB3 PHE A 117 74.432 -3.110 20.674 1.00 0.00 H new ATOM 0 HD1 PHE A 117 75.576 -1.875 22.547 1.00 0.00 H new ATOM 0 HD2 PHE A 117 74.860 -6.137 22.689 1.00 0.00 H new ATOM 0 HE1 PHE A 117 77.261 -2.097 24.375 1.00 0.00 H new ATOM 0 HE2 PHE A 117 76.548 -6.359 24.514 1.00 0.00 H new ATOM 0 HZ PHE A 117 77.746 -4.341 25.359 1.00 0.00 H new ATOM 1882 N ARG A 118 71.270 -2.107 20.453 1.00 0.00 N ATOM 1883 CA ARG A 118 70.335 -1.875 19.310 1.00 0.00 C ATOM 1884 C ARG A 118 70.868 -0.752 18.415 1.00 0.00 C ATOM 1885 O ARG A 118 71.008 0.378 18.845 1.00 0.00 O ATOM 1886 CB ARG A 118 69.013 -1.464 19.959 1.00 0.00 C ATOM 1887 CG ARG A 118 67.852 -1.793 19.017 1.00 0.00 C ATOM 1888 CD ARG A 118 67.851 -0.814 17.840 1.00 0.00 C ATOM 1889 NE ARG A 118 66.537 -1.028 17.156 1.00 0.00 N ATOM 1890 CZ ARG A 118 65.413 -0.550 17.654 1.00 0.00 C ATOM 1891 NH1 ARG A 118 65.389 0.122 18.782 1.00 0.00 N ATOM 1892 NH2 ARG A 118 64.295 -0.754 17.012 1.00 0.00 N ATOM 0 H ARG A 118 71.506 -1.274 20.992 1.00 0.00 H new ATOM 0 HA ARG A 118 70.222 -2.757 18.680 1.00 0.00 H new ATOM 0 HB2 ARG A 118 68.884 -1.986 20.907 1.00 0.00 H new ATOM 0 HB3 ARG A 118 69.022 -0.397 20.182 1.00 0.00 H new ATOM 0 HG2 ARG A 118 67.945 -2.816 18.652 1.00 0.00 H new ATOM 0 HG3 ARG A 118 66.906 -1.732 19.555 1.00 0.00 H new ATOM 0 HD2 ARG A 118 67.954 0.215 18.183 1.00 0.00 H new ATOM 0 HD3 ARG A 118 68.684 -1.009 17.164 1.00 0.00 H new ATOM 0 HE ARG A 118 66.510 -1.556 16.284 1.00 0.00 H new ATOM 0 HH11 ARG A 118 66.254 0.286 19.297 1.00 0.00 H new ATOM 0 HH12 ARG A 118 64.505 0.480 19.144 1.00 0.00 H new ATOM 0 HH21 ARG A 118 64.298 -1.277 16.137 1.00 0.00 H new ATOM 0 HH22 ARG A 118 63.419 -0.390 17.386 1.00 0.00 H new ATOM 1906 N GLU A 119 71.165 -1.059 17.175 1.00 0.00 N ATOM 1907 CA GLU A 119 71.692 -0.017 16.238 1.00 0.00 C ATOM 1908 C GLU A 119 71.561 -0.491 14.785 1.00 0.00 C ATOM 1909 O GLU A 119 71.334 -1.658 14.524 1.00 0.00 O ATOM 1910 CB GLU A 119 73.169 0.175 16.624 1.00 0.00 C ATOM 1911 CG GLU A 119 73.936 -1.148 16.495 1.00 0.00 C ATOM 1912 CD GLU A 119 75.364 -0.963 17.012 1.00 0.00 C ATOM 1913 OE1 GLU A 119 75.513 -0.491 18.127 1.00 0.00 O ATOM 1914 OE2 GLU A 119 76.285 -1.299 16.284 1.00 0.00 O ATOM 0 H GLU A 119 71.065 -1.990 16.770 1.00 0.00 H new ATOM 0 HA GLU A 119 71.137 0.918 16.313 1.00 0.00 H new ATOM 0 HB2 GLU A 119 73.623 0.929 15.982 1.00 0.00 H new ATOM 0 HB3 GLU A 119 73.238 0.544 17.647 1.00 0.00 H new ATOM 0 HG2 GLU A 119 73.431 -1.930 17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 119 73.954 -1.470 15.454 1.00 0.00 H new ATOM 1921 N LYS A 120 71.703 0.410 13.842 1.00 0.00 N ATOM 1922 CA LYS A 120 71.606 0.022 12.396 1.00 0.00 C ATOM 1923 C LYS A 120 72.747 -0.929 12.021 1.00 0.00 C ATOM 1924 O LYS A 120 72.582 -1.818 11.207 1.00 0.00 O ATOM 1925 CB LYS A 120 71.723 1.331 11.611 1.00 0.00 C ATOM 1926 CG LYS A 120 70.499 2.208 11.889 1.00 0.00 C ATOM 1927 CD LYS A 120 70.561 3.464 11.018 1.00 0.00 C ATOM 1928 CE LYS A 120 69.396 4.390 11.372 1.00 0.00 C ATOM 1929 NZ LYS A 120 68.243 3.877 10.582 1.00 0.00 N ATOM 0 H LYS A 120 71.882 1.400 14.011 1.00 0.00 H new ATOM 0 HA LYS A 120 70.673 -0.497 12.179 1.00 0.00 H new ATOM 0 HB2 LYS A 120 72.633 1.858 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 120 71.798 1.121 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 120 69.585 1.652 11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 120 70.469 2.485 12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 120 71.509 3.980 11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 120 70.515 3.191 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 120 69.184 4.367 12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 120 69.622 5.425 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 67.413 4.482 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 68.484 3.886 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 68.025 2.904 10.877 1.00 0.00 H new ATOM 1943 N ASP A 121 73.909 -0.743 12.615 1.00 0.00 N ATOM 1944 CA ASP A 121 75.092 -1.625 12.313 1.00 0.00 C ATOM 1945 C ASP A 121 75.360 -1.687 10.804 1.00 0.00 C ATOM 1946 O ASP A 121 74.787 -0.883 10.086 1.00 0.00 O ATOM 1947 CB ASP A 121 74.720 -3.011 12.852 1.00 0.00 C ATOM 1948 CG ASP A 121 75.954 -3.915 12.833 1.00 0.00 C ATOM 1949 OD1 ASP A 121 76.726 -3.850 13.776 1.00 0.00 O ATOM 1950 OD2 ASP A 121 76.106 -4.658 11.878 1.00 0.00 O ATOM 1951 OXT ASP A 121 76.136 -2.536 10.393 1.00 0.00 O ATOM 0 H ASP A 121 74.090 -0.011 13.302 1.00 0.00 H new ATOM 0 HA ASP A 121 76.003 -1.242 12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 121 74.334 -2.926 13.868 1.00 0.00 H new ATOM 0 HB3 ASP A 121 73.927 -3.448 12.245 1.00 0.00 H new TER 1956 ASP A 121