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 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= 0 X(o=-0.5,f=0) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.344 K(o=1.4,f=-8.4!) USER MOD Set 2.2: A 19 SER OG : rot -61:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.557 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 129:sc= -0.174 (180deg=-0.993) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.6!) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.315 F(o=-1.5,f=-0.32) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.821 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 43 SER OG : rot 72:sc= 0.235 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 13:sc= 1.01 USER MOD Single : A 49 THR OG1 : rot -82:sc= -0.156 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.154) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 64 MET CE :methyl 131:sc= -0.153 (180deg=-0.945) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 49:sc= 0.632 USER MOD Single : A 73 SER OG : rot 22:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 41:sc= 0.635 USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0586) USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0891) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 24:sc= 0.815 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.053) USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= -0.864 (180deg=-0.888) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -140:sc= -3.97 (180deg=-8.27!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0759) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.07) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 115.945 14.568 1.925 1.00 0.00 N ATOM 2 CA GLY A -3 117.155 14.436 1.065 1.00 0.00 C ATOM 3 C GLY A -3 116.812 13.610 -0.178 1.00 0.00 C ATOM 4 O GLY A -3 116.528 12.430 -0.088 1.00 0.00 O ATOM 0 H1 GLY A -3 116.178 15.129 2.769 1.00 0.00 H new ATOM 0 H2 GLY A -3 115.190 15.044 1.391 1.00 0.00 H new ATOM 0 H3 GLY A -3 115.621 13.623 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A -3 117.514 15.422 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A -3 117.960 13.956 1.622 1.00 0.00 H new ATOM 10 N ALA A -2 116.838 14.226 -1.336 1.00 0.00 N ATOM 11 CA ALA A -2 116.519 13.484 -2.600 1.00 0.00 C ATOM 12 C ALA A -2 117.596 12.433 -2.893 1.00 0.00 C ATOM 13 O ALA A -2 117.322 11.406 -3.489 1.00 0.00 O ATOM 14 CB ALA A -2 116.496 14.546 -3.703 1.00 0.00 C ATOM 0 H ALA A -2 117.067 15.212 -1.462 1.00 0.00 H new ATOM 0 HA ALA A -2 115.569 12.954 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A -2 116.268 14.073 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A -2 115.733 15.291 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A -2 117.470 15.031 -3.761 1.00 0.00 H new ATOM 20 N MET A -1 118.817 12.682 -2.479 1.00 0.00 N ATOM 21 CA MET A -1 119.927 11.704 -2.739 1.00 0.00 C ATOM 22 C MET A -1 119.635 10.364 -2.050 1.00 0.00 C ATOM 23 O MET A -1 119.959 9.310 -2.568 1.00 0.00 O ATOM 24 CB MET A -1 121.184 12.344 -2.145 1.00 0.00 C ATOM 25 CG MET A -1 121.544 13.602 -2.940 1.00 0.00 C ATOM 26 SD MET A -1 123.109 14.275 -2.331 1.00 0.00 S ATOM 27 CE MET A -1 124.190 12.999 -3.022 1.00 0.00 C ATOM 0 H MET A -1 119.095 13.522 -1.971 1.00 0.00 H new ATOM 0 HA MET A -1 120.041 11.497 -3.803 1.00 0.00 H new ATOM 0 HB2 MET A -1 121.015 12.599 -1.099 1.00 0.00 H new ATOM 0 HB3 MET A -1 122.012 11.636 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A -1 121.627 13.363 -4.000 1.00 0.00 H new ATOM 0 HG3 MET A -1 120.753 14.346 -2.841 1.00 0.00 H new ATOM 0 HE1 MET A -1 124.999 13.471 -3.580 1.00 0.00 H new ATOM 0 HE2 MET A -1 124.608 12.400 -2.213 1.00 0.00 H new ATOM 0 HE3 MET A -1 123.615 12.357 -3.689 1.00 0.00 H new ATOM 37 N GLY A 0 119.028 10.404 -0.890 1.00 0.00 N ATOM 38 CA GLY A 0 118.693 9.141 -0.166 1.00 0.00 C ATOM 39 C GLY A 0 117.292 8.676 -0.571 1.00 0.00 C ATOM 40 O GLY A 0 116.398 9.480 -0.766 1.00 0.00 O ATOM 0 H GLY A 0 118.749 11.261 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 0 119.426 8.369 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.736 9.304 0.911 1.00 0.00 H new ATOM 44 N MET A 1 117.097 7.385 -0.697 1.00 0.00 N ATOM 45 CA MET A 1 115.755 6.853 -1.086 1.00 0.00 C ATOM 46 C MET A 1 115.250 5.868 -0.028 1.00 0.00 C ATOM 47 O MET A 1 116.021 5.141 0.570 1.00 0.00 O ATOM 48 CB MET A 1 115.981 6.136 -2.419 1.00 0.00 C ATOM 49 CG MET A 1 116.335 7.162 -3.498 1.00 0.00 C ATOM 50 SD MET A 1 116.473 6.328 -5.099 1.00 0.00 S ATOM 51 CE MET A 1 117.034 7.760 -6.053 1.00 0.00 C ATOM 0 H MET A 1 117.814 6.675 -0.546 1.00 0.00 H new ATOM 0 HA MET A 1 115.008 7.642 -1.170 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.784 5.406 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.084 5.587 -2.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.570 7.937 -3.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 117.274 7.656 -3.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 117.186 7.468 -7.092 1.00 0.00 H new ATOM 0 HE2 MET A 1 116.282 8.548 -6.003 1.00 0.00 H new ATOM 0 HE3 MET A 1 117.973 8.128 -5.639 1.00 0.00 H new ATOM 61 N SER A 2 113.959 5.844 0.205 1.00 0.00 N ATOM 62 CA SER A 2 113.386 4.904 1.217 1.00 0.00 C ATOM 63 C SER A 2 112.261 4.074 0.591 1.00 0.00 C ATOM 64 O SER A 2 111.601 4.509 -0.333 1.00 0.00 O ATOM 65 CB SER A 2 112.838 5.801 2.326 1.00 0.00 C ATOM 66 OG SER A 2 113.878 6.638 2.811 1.00 0.00 O ATOM 0 H SER A 2 113.276 6.438 -0.265 1.00 0.00 H new ATOM 0 HA SER A 2 114.128 4.200 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.016 6.407 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.438 5.193 3.137 1.00 0.00 H new ATOM 0 HG SER A 2 113.529 7.216 3.521 1.00 0.00 H new ATOM 72 N VAL A 3 112.043 2.883 1.093 1.00 0.00 N ATOM 73 CA VAL A 3 110.958 2.007 0.536 1.00 0.00 C ATOM 74 C VAL A 3 109.581 2.630 0.817 1.00 0.00 C ATOM 75 O VAL A 3 108.653 2.470 0.048 1.00 0.00 O ATOM 76 CB VAL A 3 111.103 0.654 1.258 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.038 -0.326 0.753 1.00 0.00 C ATOM 78 CG2 VAL A 3 112.491 0.068 0.980 1.00 0.00 C ATOM 0 H VAL A 3 112.569 2.476 1.866 1.00 0.00 H new ATOM 0 HA VAL A 3 111.042 1.890 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 3 110.975 0.811 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 3 110.148 -1.280 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.046 0.081 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.162 -0.477 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.591 -0.889 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 3 112.615 -0.079 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.255 0.755 1.343 1.00 0.00 H new ATOM 88 N ALA A 4 109.450 3.340 1.915 1.00 0.00 N ATOM 89 CA ALA A 4 108.129 3.963 2.267 1.00 0.00 C ATOM 90 C ALA A 4 107.706 4.977 1.195 1.00 0.00 C ATOM 91 O ALA A 4 106.529 5.179 0.958 1.00 0.00 O ATOM 92 CB ALA A 4 108.357 4.671 3.606 1.00 0.00 C ATOM 0 H ALA A 4 110.200 3.516 2.583 1.00 0.00 H new ATOM 0 HA ALA A 4 107.336 3.217 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.432 5.150 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.666 3.942 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.135 5.425 3.491 1.00 0.00 H new ATOM 98 N ASP A 5 108.657 5.610 0.548 1.00 0.00 N ATOM 99 CA ASP A 5 108.315 6.604 -0.522 1.00 0.00 C ATOM 100 C ASP A 5 107.617 5.908 -1.696 1.00 0.00 C ATOM 101 O ASP A 5 106.675 6.429 -2.264 1.00 0.00 O ATOM 102 CB ASP A 5 109.654 7.199 -0.974 1.00 0.00 C ATOM 103 CG ASP A 5 110.272 8.012 0.167 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.530 8.684 0.865 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.481 7.948 0.323 1.00 0.00 O ATOM 0 H ASP A 5 109.655 5.482 0.714 1.00 0.00 H new ATOM 0 HA ASP A 5 107.634 7.372 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.334 6.402 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.504 7.835 -1.846 1.00 0.00 H new ATOM 110 N PHE A 6 108.077 4.734 -2.059 1.00 0.00 N ATOM 111 CA PHE A 6 107.429 3.983 -3.182 1.00 0.00 C ATOM 112 C PHE A 6 106.124 3.336 -2.707 1.00 0.00 C ATOM 113 O PHE A 6 105.192 3.172 -3.473 1.00 0.00 O ATOM 114 CB PHE A 6 108.441 2.912 -3.596 1.00 0.00 C ATOM 115 CG PHE A 6 109.718 3.482 -4.170 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.807 3.778 -3.316 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.824 3.721 -5.563 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.003 4.314 -3.853 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.021 4.256 -6.100 1.00 0.00 C ATOM 120 CZ PHE A 6 112.110 4.552 -5.245 1.00 0.00 C ATOM 0 H PHE A 6 108.872 4.264 -1.627 1.00 0.00 H new ATOM 0 HA PHE A 6 107.174 4.638 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.684 2.298 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 6 107.981 2.254 -4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.726 3.595 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 6 108.993 3.495 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.833 4.541 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.103 4.438 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.023 4.959 -5.654 1.00 0.00 H new ATOM 130 N TYR A 7 106.052 2.969 -1.447 1.00 0.00 N ATOM 131 CA TYR A 7 104.789 2.370 -0.902 1.00 0.00 C ATOM 132 C TYR A 7 103.670 3.416 -0.897 1.00 0.00 C ATOM 133 O TYR A 7 103.848 4.523 -0.422 1.00 0.00 O ATOM 134 CB TYR A 7 105.128 1.936 0.531 1.00 0.00 C ATOM 135 CG TYR A 7 105.604 0.503 0.648 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.518 -0.028 -0.299 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.141 -0.306 1.714 1.00 0.00 C ATOM 138 CE1 TYR A 7 106.966 -1.366 -0.175 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.587 -1.644 1.833 1.00 0.00 C ATOM 140 CZ TYR A 7 106.500 -2.174 0.891 1.00 0.00 C ATOM 141 OH TYR A 7 106.938 -3.476 1.015 1.00 0.00 O ATOM 0 H TYR A 7 106.813 3.058 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 7 104.440 1.531 -1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 7 105.899 2.597 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.245 2.066 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 7 106.871 0.587 -1.113 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.447 0.098 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 7 107.663 -1.770 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.230 -2.261 2.644 1.00 0.00 H new ATOM 0 HH TYR A 7 106.521 -3.888 1.801 1.00 0.00 H new ATOM 151 N GLY A 8 102.522 3.069 -1.422 1.00 0.00 N ATOM 152 CA GLY A 8 101.398 4.051 -1.505 1.00 0.00 C ATOM 153 C GLY A 8 101.524 4.911 -2.775 1.00 0.00 C ATOM 154 O GLY A 8 100.682 5.750 -3.037 1.00 0.00 O ATOM 0 H GLY A 8 102.314 2.144 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.445 3.522 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.402 4.692 -0.623 1.00 0.00 H new ATOM 158 N SER A 9 102.562 4.718 -3.561 1.00 0.00 N ATOM 159 CA SER A 9 102.734 5.539 -4.801 1.00 0.00 C ATOM 160 C SER A 9 101.986 4.891 -5.968 1.00 0.00 C ATOM 161 O SER A 9 101.957 3.681 -6.098 1.00 0.00 O ATOM 162 CB SER A 9 104.238 5.554 -5.070 1.00 0.00 C ATOM 163 OG SER A 9 104.509 6.411 -6.173 1.00 0.00 O ATOM 0 H SER A 9 103.295 4.028 -3.395 1.00 0.00 H new ATOM 0 HA SER A 9 102.335 6.547 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.774 5.899 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.591 4.545 -5.283 1.00 0.00 H new ATOM 0 HG SER A 9 105.473 6.425 -6.348 1.00 0.00 H new ATOM 169 N ASN A 10 101.384 5.688 -6.817 1.00 0.00 N ATOM 170 CA ASN A 10 100.662 5.125 -7.998 1.00 0.00 C ATOM 171 C ASN A 10 101.592 5.093 -9.212 1.00 0.00 C ATOM 172 O ASN A 10 102.013 6.121 -9.712 1.00 0.00 O ATOM 173 CB ASN A 10 99.491 6.078 -8.243 1.00 0.00 C ATOM 174 CG ASN A 10 98.431 5.379 -9.097 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.754 4.613 -9.983 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.167 5.613 -8.866 1.00 0.00 N ATOM 0 H ASN A 10 101.362 6.705 -6.742 1.00 0.00 H new ATOM 0 HA ASN A 10 100.322 4.103 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.059 6.391 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.841 6.979 -8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.452 5.153 -9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.895 6.256 -8.122 1.00 0.00 H new ATOM 183 N VAL A 11 101.909 3.915 -9.685 1.00 0.00 N ATOM 184 CA VAL A 11 102.801 3.785 -10.878 1.00 0.00 C ATOM 185 C VAL A 11 102.148 2.863 -11.910 1.00 0.00 C ATOM 186 O VAL A 11 101.253 2.103 -11.584 1.00 0.00 O ATOM 187 CB VAL A 11 104.115 3.179 -10.353 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.768 4.147 -9.364 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.847 1.842 -9.645 1.00 0.00 C ATOM 0 H VAL A 11 101.586 3.030 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 11 102.980 4.743 -11.367 1.00 0.00 H new ATOM 0 HB VAL A 11 104.780 3.007 -11.200 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.698 3.716 -8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.980 5.091 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.092 4.324 -8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.787 1.428 -9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.172 2.004 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.391 1.144 -10.347 1.00 0.00 H new ATOM 199 N GLU A 12 102.582 2.920 -13.146 1.00 0.00 N ATOM 200 CA GLU A 12 102.087 1.944 -14.159 1.00 0.00 C ATOM 201 C GLU A 12 103.262 1.121 -14.691 1.00 0.00 C ATOM 202 O GLU A 12 104.367 1.612 -14.806 1.00 0.00 O ATOM 203 CB GLU A 12 101.465 2.800 -15.268 1.00 0.00 C ATOM 204 CG GLU A 12 100.845 1.893 -16.339 1.00 0.00 C ATOM 205 CD GLU A 12 100.055 2.742 -17.339 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.552 3.789 -17.724 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.967 2.331 -17.703 1.00 0.00 O ATOM 0 H GLU A 12 103.257 3.601 -13.494 1.00 0.00 H new ATOM 0 HA GLU A 12 101.363 1.240 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.703 3.457 -14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.225 3.440 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.627 1.338 -16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.189 1.159 -15.872 1.00 0.00 H new ATOM 214 N VAL A 13 103.029 -0.126 -15.008 1.00 0.00 N ATOM 215 CA VAL A 13 104.125 -0.986 -15.544 1.00 0.00 C ATOM 216 C VAL A 13 103.624 -1.775 -16.755 1.00 0.00 C ATOM 217 O VAL A 13 102.487 -2.211 -16.786 1.00 0.00 O ATOM 218 CB VAL A 13 104.504 -1.925 -14.384 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.346 -2.876 -14.054 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.728 -2.755 -14.777 1.00 0.00 C ATOM 0 H VAL A 13 102.124 -0.587 -14.918 1.00 0.00 H new ATOM 0 HA VAL A 13 104.984 -0.407 -15.882 1.00 0.00 H new ATOM 0 HB VAL A 13 104.726 -1.316 -13.508 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.636 -3.530 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.470 -2.296 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.109 -3.478 -14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.996 -3.420 -13.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.497 -3.347 -15.662 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.564 -2.090 -14.993 1.00 0.00 H new ATOM 230 N LEU A 14 104.456 -1.961 -17.747 1.00 0.00 N ATOM 231 CA LEU A 14 104.098 -2.927 -18.828 1.00 0.00 C ATOM 232 C LEU A 14 104.676 -4.293 -18.496 1.00 0.00 C ATOM 233 O LEU A 14 105.814 -4.403 -18.077 1.00 0.00 O ATOM 234 CB LEU A 14 104.724 -2.418 -20.133 1.00 0.00 C ATOM 235 CG LEU A 14 104.299 -0.974 -20.479 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.297 -0.823 -21.999 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.891 -0.660 -19.963 1.00 0.00 C ATOM 0 H LEU A 14 105.356 -1.493 -17.855 1.00 0.00 H new ATOM 0 HA LEU A 14 103.016 -3.011 -18.925 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.810 -2.462 -20.051 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.439 -3.081 -20.950 1.00 0.00 H new ATOM 0 HG LEU A 14 105.001 -0.287 -20.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.999 0.192 -22.263 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.297 -1.020 -22.386 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.594 -1.533 -22.434 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.627 0.365 -20.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.176 -1.346 -20.417 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.867 -0.775 -18.879 1.00 0.00 H new ATOM 249 N LEU A 15 103.906 -5.328 -18.676 1.00 0.00 N ATOM 250 CA LEU A 15 104.455 -6.702 -18.488 1.00 0.00 C ATOM 251 C LEU A 15 105.085 -7.195 -19.792 1.00 0.00 C ATOM 252 O LEU A 15 104.995 -6.548 -20.819 1.00 0.00 O ATOM 253 CB LEU A 15 103.257 -7.571 -18.095 1.00 0.00 C ATOM 254 CG LEU A 15 102.733 -7.137 -16.723 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.384 -7.807 -16.458 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.730 -7.557 -15.640 1.00 0.00 C ATOM 0 H LEU A 15 102.923 -5.284 -18.944 1.00 0.00 H new ATOM 0 HA LEU A 15 105.234 -6.735 -17.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.468 -7.479 -18.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.550 -8.621 -18.068 1.00 0.00 H new ATOM 0 HG LEU A 15 102.612 -6.054 -16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.010 -7.499 -15.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.673 -7.511 -17.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.506 -8.890 -16.474 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.358 -7.248 -14.663 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.850 -8.640 -15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.693 -7.082 -15.828 1.00 0.00 H new ATOM 268 N ASN A 16 105.723 -8.338 -19.749 1.00 0.00 N ATOM 269 CA ASN A 16 106.453 -8.861 -20.961 1.00 0.00 C ATOM 270 C ASN A 16 105.510 -9.048 -22.163 1.00 0.00 C ATOM 271 O ASN A 16 105.961 -9.199 -23.283 1.00 0.00 O ATOM 272 CB ASN A 16 107.120 -10.207 -20.572 1.00 0.00 C ATOM 273 CG ASN A 16 106.271 -11.040 -19.591 1.00 0.00 C ATOM 274 OD1 ASN A 16 104.995 -11.205 -19.803 1.00 0.00 O flip ATOM 275 ND2 ASN A 16 106.787 -11.546 -18.614 1.00 0.00 N flip ATOM 0 H ASN A 16 105.774 -8.939 -18.926 1.00 0.00 H new ATOM 0 HA ASN A 16 107.206 -8.136 -21.270 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.300 -10.791 -21.475 1.00 0.00 H new ATOM 0 HB3 ASN A 16 108.093 -10.007 -20.123 1.00 0.00 H new ATOM 0 HD21 ASN A 16 107.785 -11.421 -18.442 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.223 -12.096 -17.966 1.00 0.00 H new ATOM 282 N ASN A 17 104.216 -9.040 -21.945 1.00 0.00 N ATOM 283 CA ASN A 17 103.258 -9.195 -23.087 1.00 0.00 C ATOM 284 C ASN A 17 102.770 -7.823 -23.589 1.00 0.00 C ATOM 285 O ASN A 17 101.719 -7.726 -24.195 1.00 0.00 O ATOM 286 CB ASN A 17 102.092 -10.029 -22.527 1.00 0.00 C ATOM 287 CG ASN A 17 101.384 -9.287 -21.383 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.900 -8.325 -20.851 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.213 -9.703 -20.983 1.00 0.00 N ATOM 0 H ASN A 17 103.782 -8.933 -21.028 1.00 0.00 H new ATOM 0 HA ASN A 17 103.725 -9.680 -23.945 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.379 -10.243 -23.323 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.466 -10.988 -22.167 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.732 -9.220 -20.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.779 -10.511 -21.429 1.00 0.00 H new ATOM 296 N ASP A 18 103.521 -6.763 -23.341 1.00 0.00 N ATOM 297 CA ASP A 18 103.165 -5.406 -23.888 1.00 0.00 C ATOM 298 C ASP A 18 101.764 -4.983 -23.424 1.00 0.00 C ATOM 299 O ASP A 18 101.099 -4.202 -24.079 1.00 0.00 O ATOM 300 CB ASP A 18 103.212 -5.537 -25.419 1.00 0.00 C ATOM 301 CG ASP A 18 104.639 -5.865 -25.866 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.561 -5.278 -25.324 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.785 -6.700 -26.745 1.00 0.00 O ATOM 0 H ASP A 18 104.371 -6.783 -22.778 1.00 0.00 H new ATOM 0 HA ASP A 18 103.858 -4.643 -23.533 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.529 -6.320 -25.748 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.880 -4.609 -25.883 1.00 0.00 H new ATOM 308 N SER A 19 101.314 -5.495 -22.300 1.00 0.00 N ATOM 309 CA SER A 19 100.050 -4.985 -21.692 1.00 0.00 C ATOM 310 C SER A 19 100.388 -4.079 -20.510 1.00 0.00 C ATOM 311 O SER A 19 101.357 -4.306 -19.807 1.00 0.00 O ATOM 312 CB SER A 19 99.296 -6.231 -21.224 1.00 0.00 C ATOM 313 OG SER A 19 99.986 -6.816 -20.127 1.00 0.00 O ATOM 0 H SER A 19 101.771 -6.244 -21.781 1.00 0.00 H new ATOM 0 HA SER A 19 99.452 -4.400 -22.391 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.281 -5.966 -20.930 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.214 -6.948 -22.041 1.00 0.00 H new ATOM 0 HG SER A 19 100.885 -7.084 -20.411 1.00 0.00 H new ATOM 319 N LYS A 20 99.603 -3.056 -20.283 1.00 0.00 N ATOM 320 CA LYS A 20 99.956 -2.061 -19.224 1.00 0.00 C ATOM 321 C LYS A 20 98.996 -2.170 -18.031 1.00 0.00 C ATOM 322 O LYS A 20 97.810 -2.395 -18.195 1.00 0.00 O ATOM 323 CB LYS A 20 99.840 -0.684 -19.905 1.00 0.00 C ATOM 324 CG LYS A 20 98.390 -0.391 -20.314 1.00 0.00 C ATOM 325 CD LYS A 20 98.324 0.969 -21.007 1.00 0.00 C ATOM 326 CE LYS A 20 96.886 1.488 -20.983 1.00 0.00 C ATOM 327 NZ LYS A 20 96.761 2.341 -22.198 1.00 0.00 N ATOM 0 H LYS A 20 98.735 -2.867 -20.784 1.00 0.00 H new ATOM 0 HA LYS A 20 100.956 -2.229 -18.825 1.00 0.00 H new ATOM 0 HB2 LYS A 20 100.194 0.092 -19.226 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.483 -0.655 -20.785 1.00 0.00 H new ATOM 0 HG2 LYS A 20 98.024 -1.170 -20.983 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.745 -0.396 -19.436 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.985 1.676 -20.506 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.672 0.881 -22.036 1.00 0.00 H new ATOM 0 HE2 LYS A 20 96.170 0.666 -21.003 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.689 2.061 -20.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.799 2.733 -22.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.450 3.119 -22.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 96.947 1.767 -23.045 1.00 0.00 H new ATOM 341 N ALA A 21 99.509 -2.010 -16.836 1.00 0.00 N ATOM 342 CA ALA A 21 98.630 -1.989 -15.626 1.00 0.00 C ATOM 343 C ALA A 21 99.096 -0.892 -14.664 1.00 0.00 C ATOM 344 O ALA A 21 100.281 -0.657 -14.511 1.00 0.00 O ATOM 345 CB ALA A 21 98.800 -3.369 -14.989 1.00 0.00 C ATOM 0 H ALA A 21 100.504 -1.892 -16.646 1.00 0.00 H new ATOM 0 HA ALA A 21 97.588 -1.781 -15.871 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.185 -3.434 -14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.491 -4.137 -15.697 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.846 -3.521 -14.723 1.00 0.00 H new ATOM 351 N ARG A 22 98.173 -0.219 -14.016 1.00 0.00 N ATOM 352 CA ARG A 22 98.557 0.911 -13.113 1.00 0.00 C ATOM 353 C ARG A 22 97.760 0.856 -11.809 1.00 0.00 C ATOM 354 O ARG A 22 96.603 0.480 -11.797 1.00 0.00 O ATOM 355 CB ARG A 22 98.235 2.194 -13.900 1.00 0.00 C ATOM 356 CG ARG A 22 96.742 2.250 -14.252 1.00 0.00 C ATOM 357 CD ARG A 22 96.485 3.418 -15.209 1.00 0.00 C ATOM 358 NE ARG A 22 95.000 3.453 -15.389 1.00 0.00 N ATOM 359 CZ ARG A 22 94.201 3.938 -14.457 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.669 4.397 -13.318 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.913 3.958 -14.669 1.00 0.00 N ATOM 0 H ARG A 22 97.172 -0.404 -14.074 1.00 0.00 H new ATOM 0 HA ARG A 22 99.610 0.866 -12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.508 3.068 -13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.831 2.227 -14.812 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.431 1.313 -14.714 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.148 2.371 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.854 4.356 -14.795 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.994 3.268 -16.161 1.00 0.00 H new ATOM 0 HE ARG A 22 94.595 3.093 -16.253 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.673 4.384 -13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.029 4.766 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.535 3.601 -15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.285 4.330 -13.957 1.00 0.00 H new ATOM 375 N GLY A 23 98.378 1.230 -10.716 1.00 0.00 N ATOM 376 CA GLY A 23 97.666 1.224 -9.401 1.00 0.00 C ATOM 377 C GLY A 23 98.631 1.676 -8.303 1.00 0.00 C ATOM 378 O GLY A 23 99.750 2.067 -8.579 1.00 0.00 O ATOM 0 H GLY A 23 99.349 1.540 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.803 1.888 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.290 0.225 -9.182 1.00 0.00 H new ATOM 382 N VAL A 24 98.207 1.623 -7.063 1.00 0.00 N ATOM 383 CA VAL A 24 99.084 2.094 -5.943 1.00 0.00 C ATOM 384 C VAL A 24 99.940 0.929 -5.432 1.00 0.00 C ATOM 385 O VAL A 24 99.490 -0.197 -5.364 1.00 0.00 O ATOM 386 CB VAL A 24 98.126 2.593 -4.847 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.932 3.153 -3.670 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.228 3.703 -5.406 1.00 0.00 C ATOM 0 H VAL A 24 97.292 1.274 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 24 99.768 2.883 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 24 97.512 1.758 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.250 3.505 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.571 2.370 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.550 3.983 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.552 4.052 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.846 4.533 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.647 3.314 -6.242 1.00 0.00 H new ATOM 398 N ILE A 25 101.170 1.200 -5.075 1.00 0.00 N ATOM 399 CA ILE A 25 102.078 0.108 -4.593 1.00 0.00 C ATOM 400 C ILE A 25 101.828 -0.162 -3.103 1.00 0.00 C ATOM 401 O ILE A 25 101.629 0.752 -2.325 1.00 0.00 O ATOM 402 CB ILE A 25 103.504 0.641 -4.830 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.736 0.813 -6.337 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.545 -0.336 -4.262 1.00 0.00 C ATOM 405 CD1 ILE A 25 104.971 1.687 -6.568 1.00 0.00 C ATOM 0 H ILE A 25 101.587 2.130 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 25 101.913 -0.835 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 25 103.611 1.601 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.873 -0.160 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.862 1.271 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.547 0.056 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.385 -0.455 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.443 -1.303 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.135 1.809 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.816 2.664 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.843 1.211 -6.119 1.00 0.00 H new ATOM 417 N THR A 26 101.836 -1.415 -2.707 1.00 0.00 N ATOM 418 CA THR A 26 101.597 -1.754 -1.270 1.00 0.00 C ATOM 419 C THR A 26 102.736 -2.605 -0.696 1.00 0.00 C ATOM 420 O THR A 26 103.097 -2.452 0.457 1.00 0.00 O ATOM 421 CB THR A 26 100.285 -2.542 -1.259 1.00 0.00 C ATOM 422 OG1 THR A 26 100.373 -3.623 -2.175 1.00 0.00 O ATOM 423 CG2 THR A 26 99.128 -1.623 -1.658 1.00 0.00 C ATOM 0 H THR A 26 101.998 -2.215 -3.318 1.00 0.00 H new ATOM 0 HA THR A 26 101.549 -0.856 -0.653 1.00 0.00 H new ATOM 0 HB THR A 26 100.106 -2.931 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.460 -3.273 -3.086 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.195 -2.187 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.059 -0.797 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.304 -1.230 -2.659 1.00 0.00 H new ATOM 431 N ASN A 27 103.310 -3.498 -1.477 1.00 0.00 N ATOM 432 CA ASN A 27 104.320 -4.445 -0.905 1.00 0.00 C ATOM 433 C ASN A 27 105.528 -4.586 -1.833 1.00 0.00 C ATOM 434 O ASN A 27 105.405 -4.532 -3.041 1.00 0.00 O ATOM 435 CB ASN A 27 103.584 -5.779 -0.782 1.00 0.00 C ATOM 436 CG ASN A 27 104.398 -6.731 0.097 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.528 -6.518 1.285 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.955 -7.781 -0.443 1.00 0.00 N ATOM 0 H ASN A 27 103.123 -3.609 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 27 104.706 -4.094 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.596 -5.623 -0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.434 -6.216 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.500 -8.423 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.846 -7.960 -1.441 1.00 0.00 H new ATOM 445 N PHE A 28 106.696 -4.764 -1.265 1.00 0.00 N ATOM 446 CA PHE A 28 107.909 -5.065 -2.081 1.00 0.00 C ATOM 447 C PHE A 28 108.869 -5.940 -1.271 1.00 0.00 C ATOM 448 O PHE A 28 109.212 -5.619 -0.147 1.00 0.00 O ATOM 449 CB PHE A 28 108.539 -3.705 -2.383 1.00 0.00 C ATOM 450 CG PHE A 28 109.629 -3.768 -3.425 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.310 -4.111 -4.762 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.969 -3.483 -3.068 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.332 -4.168 -5.741 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.991 -3.541 -4.046 1.00 0.00 C ATOM 455 CZ PHE A 28 111.672 -3.884 -5.383 1.00 0.00 C ATOM 0 H PHE A 28 106.860 -4.713 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 28 107.673 -5.607 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.762 -3.020 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.950 -3.291 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.288 -4.329 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.212 -3.221 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.089 -4.428 -6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.013 -3.324 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.451 -3.929 -6.129 1.00 0.00 H new ATOM 465 N ASP A 29 109.305 -7.038 -1.835 1.00 0.00 N ATOM 466 CA ASP A 29 110.182 -7.985 -1.080 1.00 0.00 C ATOM 467 C ASP A 29 111.503 -8.177 -1.826 1.00 0.00 C ATOM 468 O ASP A 29 111.521 -8.622 -2.957 1.00 0.00 O ATOM 469 CB ASP A 29 109.395 -9.295 -1.029 1.00 0.00 C ATOM 470 CG ASP A 29 110.095 -10.276 -0.087 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.936 -11.022 -0.560 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.778 -10.264 1.092 1.00 0.00 O ATOM 0 H ASP A 29 109.090 -7.321 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 29 110.429 -7.622 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.378 -9.107 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.319 -9.725 -2.028 1.00 0.00 H new ATOM 477 N SER A 30 112.604 -7.844 -1.196 1.00 0.00 N ATOM 478 CA SER A 30 113.933 -7.954 -1.879 1.00 0.00 C ATOM 479 C SER A 30 114.297 -9.423 -2.130 1.00 0.00 C ATOM 480 O SER A 30 114.972 -9.743 -3.090 1.00 0.00 O ATOM 481 CB SER A 30 114.939 -7.315 -0.918 1.00 0.00 C ATOM 482 OG SER A 30 116.210 -7.239 -1.550 1.00 0.00 O ATOM 0 H SER A 30 112.640 -7.500 -0.236 1.00 0.00 H new ATOM 0 HA SER A 30 113.925 -7.461 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.603 -6.319 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.010 -7.903 -0.003 1.00 0.00 H new ATOM 0 HG SER A 30 116.856 -6.829 -0.938 1.00 0.00 H new ATOM 488 N SER A 31 113.855 -10.317 -1.273 1.00 0.00 N ATOM 489 CA SER A 31 114.257 -11.758 -1.400 1.00 0.00 C ATOM 490 C SER A 31 113.788 -12.340 -2.741 1.00 0.00 C ATOM 491 O SER A 31 114.572 -12.893 -3.489 1.00 0.00 O ATOM 492 CB SER A 31 113.568 -12.479 -0.239 1.00 0.00 C ATOM 493 OG SER A 31 114.235 -13.708 0.012 1.00 0.00 O ATOM 0 H SER A 31 113.233 -10.111 -0.491 1.00 0.00 H new ATOM 0 HA SER A 31 115.340 -11.874 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.585 -11.854 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.521 -12.663 -0.480 1.00 0.00 H new ATOM 0 HG SER A 31 113.797 -14.172 0.756 1.00 0.00 H new ATOM 499 N ASN A 32 112.518 -12.217 -3.043 1.00 0.00 N ATOM 500 CA ASN A 32 111.989 -12.759 -4.336 1.00 0.00 C ATOM 501 C ASN A 32 111.501 -11.630 -5.260 1.00 0.00 C ATOM 502 O ASN A 32 110.936 -11.888 -6.306 1.00 0.00 O ATOM 503 CB ASN A 32 110.820 -13.661 -3.936 1.00 0.00 C ATOM 504 CG ASN A 32 111.343 -14.872 -3.160 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.403 -15.388 -3.455 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.638 -15.352 -2.171 1.00 0.00 N ATOM 0 H ASN A 32 111.823 -11.764 -2.449 1.00 0.00 H new ATOM 0 HA ASN A 32 112.760 -13.294 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.111 -13.103 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.283 -13.991 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.977 -16.159 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.748 -14.920 -1.922 1.00 0.00 H new ATOM 513 N SER A 33 111.713 -10.381 -4.886 1.00 0.00 N ATOM 514 CA SER A 33 111.240 -9.222 -5.724 1.00 0.00 C ATOM 515 C SER A 33 109.750 -9.370 -6.074 1.00 0.00 C ATOM 516 O SER A 33 109.384 -9.562 -7.221 1.00 0.00 O ATOM 517 CB SER A 33 112.110 -9.248 -6.988 1.00 0.00 C ATOM 518 OG SER A 33 113.464 -9.490 -6.628 1.00 0.00 O ATOM 0 H SER A 33 112.198 -10.115 -4.029 1.00 0.00 H new ATOM 0 HA SER A 33 111.335 -8.275 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.759 -10.025 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.028 -8.299 -7.518 1.00 0.00 H new ATOM 0 HG SER A 33 114.019 -9.508 -7.436 1.00 0.00 H new ATOM 524 N ILE A 34 108.892 -9.281 -5.086 1.00 0.00 N ATOM 525 CA ILE A 34 107.423 -9.435 -5.338 1.00 0.00 C ATOM 526 C ILE A 34 106.706 -8.113 -5.039 1.00 0.00 C ATOM 527 O ILE A 34 106.959 -7.478 -4.032 1.00 0.00 O ATOM 528 CB ILE A 34 106.950 -10.543 -4.377 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.784 -11.830 -4.579 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.467 -10.847 -4.626 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.628 -12.384 -6.008 1.00 0.00 C ATOM 0 H ILE A 34 109.146 -9.108 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 34 107.207 -9.693 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 34 107.085 -10.195 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.835 -11.619 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.470 -12.585 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.137 -11.631 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.877 -9.946 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.332 -11.180 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.227 -13.288 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.580 -12.619 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.966 -11.637 -6.727 1.00 0.00 H new ATOM 543 N LEU A 35 105.815 -7.701 -5.908 1.00 0.00 N ATOM 544 CA LEU A 35 105.162 -6.363 -5.752 1.00 0.00 C ATOM 545 C LEU A 35 103.639 -6.508 -5.773 1.00 0.00 C ATOM 546 O LEU A 35 103.073 -7.056 -6.701 1.00 0.00 O ATOM 547 CB LEU A 35 105.643 -5.559 -6.962 1.00 0.00 C ATOM 548 CG LEU A 35 105.164 -4.108 -6.850 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.135 -3.315 -5.973 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.111 -3.484 -8.246 1.00 0.00 C ATOM 0 H LEU A 35 105.511 -8.236 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 35 105.416 -5.882 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.731 -5.588 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.263 -6.006 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 35 104.171 -4.085 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.794 -2.283 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.175 -3.761 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.129 -3.335 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.770 -2.451 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.105 -3.506 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.420 -4.049 -8.871 1.00 0.00 H new ATOM 562 N GLN A 36 102.978 -6.019 -4.754 1.00 0.00 N ATOM 563 CA GLN A 36 101.487 -6.002 -4.757 1.00 0.00 C ATOM 564 C GLN A 36 100.986 -4.594 -5.084 1.00 0.00 C ATOM 565 O GLN A 36 101.413 -3.624 -4.483 1.00 0.00 O ATOM 566 CB GLN A 36 101.078 -6.404 -3.341 1.00 0.00 C ATOM 567 CG GLN A 36 101.353 -7.894 -3.132 1.00 0.00 C ATOM 568 CD GLN A 36 100.851 -8.318 -1.751 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.706 -8.467 -0.776 1.00 0.00 O flip ATOM 570 NE2 GLN A 36 99.668 -8.518 -1.558 1.00 0.00 N flip ATOM 0 H GLN A 36 103.411 -5.629 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 36 101.065 -6.676 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.633 -5.815 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.020 -6.193 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.856 -8.478 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.421 -8.093 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.000 -8.401 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.343 -8.802 -0.634 1.00 0.00 H new ATOM 579 N LEU A 37 100.087 -4.480 -6.032 1.00 0.00 N ATOM 580 CA LEU A 37 99.526 -3.141 -6.387 1.00 0.00 C ATOM 581 C LEU A 37 98.058 -3.060 -5.965 1.00 0.00 C ATOM 582 O LEU A 37 97.239 -3.853 -6.391 1.00 0.00 O ATOM 583 CB LEU A 37 99.644 -3.040 -7.913 1.00 0.00 C ATOM 584 CG LEU A 37 101.117 -3.063 -8.335 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.205 -3.139 -9.861 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.815 -1.785 -7.852 1.00 0.00 C ATOM 0 H LEU A 37 99.717 -5.260 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 37 100.055 -2.331 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.111 -3.868 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.173 -2.121 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 37 101.605 -3.931 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.252 -3.156 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.712 -4.047 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.714 -2.269 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.862 -1.806 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.327 -0.915 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.752 -1.725 -6.765 1.00 0.00 H new ATOM 598 N ARG A 38 97.725 -2.108 -5.131 1.00 0.00 N ATOM 599 CA ARG A 38 96.295 -1.911 -4.741 1.00 0.00 C ATOM 600 C ARG A 38 95.674 -0.799 -5.592 1.00 0.00 C ATOM 601 O ARG A 38 96.166 0.313 -5.627 1.00 0.00 O ATOM 602 CB ARG A 38 96.332 -1.512 -3.265 1.00 0.00 C ATOM 603 CG ARG A 38 94.905 -1.445 -2.712 1.00 0.00 C ATOM 604 CD ARG A 38 94.937 -0.925 -1.271 1.00 0.00 C ATOM 605 NE ARG A 38 95.565 -2.021 -0.464 1.00 0.00 N ATOM 606 CZ ARG A 38 95.471 -2.046 0.852 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.827 -1.112 1.515 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.034 -3.022 1.512 1.00 0.00 N ATOM 0 H ARG A 38 98.383 -1.457 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 38 95.693 -2.806 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.919 -2.235 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.822 -0.545 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.294 -0.789 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.445 -2.433 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.515 -0.004 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 38 93.933 -0.700 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 38 96.076 -2.763 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.384 -0.343 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.770 -1.156 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.539 -3.753 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 38 95.969 -3.054 2.529 1.00 0.00 H new ATOM 622 N LEU A 39 94.596 -1.096 -6.275 1.00 0.00 N ATOM 623 CA LEU A 39 94.009 -0.108 -7.230 1.00 0.00 C ATOM 624 C LEU A 39 92.782 0.577 -6.618 1.00 0.00 C ATOM 625 O LEU A 39 92.070 -0.002 -5.815 1.00 0.00 O ATOM 626 CB LEU A 39 93.623 -0.937 -8.459 1.00 0.00 C ATOM 627 CG LEU A 39 93.268 -0.022 -9.640 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.467 0.857 -10.012 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.907 -0.887 -10.845 1.00 0.00 C ATOM 0 H LEU A 39 94.096 -1.983 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 39 94.707 0.691 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.449 -1.593 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.774 -1.577 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 39 92.429 0.614 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.200 1.500 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.746 1.473 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.309 0.224 -10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.653 -0.247 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.757 -1.516 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.053 -1.517 -10.598 1.00 0.00 H new ATOM 641 N ALA A 40 92.534 1.808 -7.006 1.00 0.00 N ATOM 642 CA ALA A 40 91.438 2.615 -6.369 1.00 0.00 C ATOM 643 C ALA A 40 90.053 1.992 -6.615 1.00 0.00 C ATOM 644 O ALA A 40 89.072 2.417 -6.028 1.00 0.00 O ATOM 645 CB ALA A 40 91.518 3.995 -7.028 1.00 0.00 C ATOM 0 H ALA A 40 93.047 2.293 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 40 91.565 2.659 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.746 4.642 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.498 4.432 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.367 3.894 -8.103 1.00 0.00 H new ATOM 651 N ASN A 41 89.954 0.997 -7.468 1.00 0.00 N ATOM 652 CA ASN A 41 88.645 0.293 -7.669 1.00 0.00 C ATOM 653 C ASN A 41 88.454 -0.827 -6.626 1.00 0.00 C ATOM 654 O ASN A 41 87.823 -1.829 -6.908 1.00 0.00 O ATOM 655 CB ASN A 41 88.728 -0.306 -9.078 1.00 0.00 C ATOM 656 CG ASN A 41 88.768 0.819 -10.114 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.122 1.836 -9.953 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.505 0.679 -11.182 1.00 0.00 N ATOM 0 H ASN A 41 90.725 0.642 -8.034 1.00 0.00 H new ATOM 0 HA ASN A 41 87.801 0.973 -7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.619 -0.928 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.869 -0.951 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.538 1.422 -11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.048 -0.174 -11.319 1.00 0.00 H new ATOM 665 N ASP A 42 88.995 -0.675 -5.423 1.00 0.00 N ATOM 666 CA ASP A 42 88.798 -1.701 -4.340 1.00 0.00 C ATOM 667 C ASP A 42 89.303 -3.074 -4.806 1.00 0.00 C ATOM 668 O ASP A 42 88.804 -4.099 -4.378 1.00 0.00 O ATOM 669 CB ASP A 42 87.287 -1.748 -4.060 1.00 0.00 C ATOM 670 CG ASP A 42 86.817 -0.390 -3.528 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.523 0.184 -2.714 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.759 0.051 -3.944 1.00 0.00 O ATOM 0 H ASP A 42 89.567 0.124 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 42 89.357 -1.441 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.746 -1.999 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.066 -2.530 -3.333 1.00 0.00 H new ATOM 677 N SER A 43 90.288 -3.100 -5.680 1.00 0.00 N ATOM 678 CA SER A 43 90.858 -4.406 -6.134 1.00 0.00 C ATOM 679 C SER A 43 92.356 -4.461 -5.827 1.00 0.00 C ATOM 680 O SER A 43 93.058 -3.477 -5.957 1.00 0.00 O ATOM 681 CB SER A 43 90.615 -4.441 -7.643 1.00 0.00 C ATOM 682 OG SER A 43 89.218 -4.388 -7.895 1.00 0.00 O ATOM 0 H SER A 43 90.718 -2.273 -6.095 1.00 0.00 H new ATOM 0 HA SER A 43 90.400 -5.257 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.115 -3.600 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.039 -5.350 -8.070 1.00 0.00 H new ATOM 0 HG SER A 43 88.884 -3.488 -7.697 1.00 0.00 H new ATOM 688 N THR A 44 92.846 -5.608 -5.422 1.00 0.00 N ATOM 689 CA THR A 44 94.302 -5.744 -5.106 1.00 0.00 C ATOM 690 C THR A 44 94.899 -6.940 -5.857 1.00 0.00 C ATOM 691 O THR A 44 94.250 -7.955 -6.034 1.00 0.00 O ATOM 692 CB THR A 44 94.374 -5.954 -3.584 1.00 0.00 C ATOM 693 OG1 THR A 44 95.732 -6.093 -3.193 1.00 0.00 O ATOM 694 CG2 THR A 44 93.594 -7.211 -3.175 1.00 0.00 C ATOM 0 H THR A 44 92.297 -6.459 -5.296 1.00 0.00 H new ATOM 0 HA THR A 44 94.872 -4.867 -5.412 1.00 0.00 H new ATOM 0 HB THR A 44 93.930 -5.091 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.781 -6.225 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.657 -7.343 -2.095 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.550 -7.102 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.021 -8.082 -3.672 1.00 0.00 H new ATOM 702 N LYS A 45 96.128 -6.824 -6.297 1.00 0.00 N ATOM 703 CA LYS A 45 96.764 -7.936 -7.064 1.00 0.00 C ATOM 704 C LYS A 45 98.238 -8.082 -6.679 1.00 0.00 C ATOM 705 O LYS A 45 98.929 -7.105 -6.455 1.00 0.00 O ATOM 706 CB LYS A 45 96.630 -7.535 -8.532 1.00 0.00 C ATOM 707 CG LYS A 45 95.186 -7.744 -8.983 1.00 0.00 C ATOM 708 CD LYS A 45 95.069 -7.452 -10.480 1.00 0.00 C ATOM 709 CE LYS A 45 93.602 -7.541 -10.907 1.00 0.00 C ATOM 710 NZ LYS A 45 93.487 -6.632 -12.082 1.00 0.00 N ATOM 0 H LYS A 45 96.718 -6.004 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 45 96.291 -8.896 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.917 -6.492 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.305 -8.131 -9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.874 -8.768 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.520 -7.089 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.462 -6.459 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.667 -8.165 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.329 -8.563 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 45 92.937 -7.231 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.508 -6.639 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.747 -5.665 -11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.126 -6.956 -12.836 1.00 0.00 H new ATOM 724 N SER A 46 98.717 -9.299 -6.602 1.00 0.00 N ATOM 725 CA SER A 46 100.159 -9.530 -6.286 1.00 0.00 C ATOM 726 C SER A 46 100.892 -10.037 -7.531 1.00 0.00 C ATOM 727 O SER A 46 100.567 -11.081 -8.067 1.00 0.00 O ATOM 728 CB SER A 46 100.160 -10.596 -5.191 1.00 0.00 C ATOM 729 OG SER A 46 99.675 -11.820 -5.727 1.00 0.00 O ATOM 0 H SER A 46 98.167 -10.146 -6.745 1.00 0.00 H new ATOM 0 HA SER A 46 100.665 -8.619 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.168 -10.731 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.535 -10.278 -4.357 1.00 0.00 H new ATOM 0 HG SER A 46 99.650 -11.762 -6.705 1.00 0.00 H new ATOM 735 N ILE A 47 101.877 -9.305 -7.993 1.00 0.00 N ATOM 736 CA ILE A 47 102.616 -9.717 -9.225 1.00 0.00 C ATOM 737 C ILE A 47 104.122 -9.675 -8.955 1.00 0.00 C ATOM 738 O ILE A 47 104.636 -8.704 -8.432 1.00 0.00 O ATOM 739 CB ILE A 47 102.223 -8.690 -10.303 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.704 -8.719 -10.524 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.925 -9.030 -11.624 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.286 -7.520 -11.378 1.00 0.00 C ATOM 0 H ILE A 47 102.201 -8.437 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 47 102.371 -10.731 -9.539 1.00 0.00 H new ATOM 0 HB ILE A 47 102.526 -7.697 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.416 -9.647 -11.017 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.186 -8.693 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.644 -8.301 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.005 -9.005 -11.479 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.626 -10.026 -11.949 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.207 -7.543 -11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.560 -6.597 -10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.793 -7.566 -12.342 1.00 0.00 H new ATOM 754 N VAL A 48 104.829 -10.721 -9.308 1.00 0.00 N ATOM 755 CA VAL A 48 106.310 -10.732 -9.094 1.00 0.00 C ATOM 756 C VAL A 48 106.972 -9.781 -10.098 1.00 0.00 C ATOM 757 O VAL A 48 106.614 -9.747 -11.258 1.00 0.00 O ATOM 758 CB VAL A 48 106.770 -12.182 -9.324 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.265 -12.308 -8.999 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.961 -13.145 -8.433 1.00 0.00 C ATOM 0 H VAL A 48 104.446 -11.565 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 48 106.584 -10.399 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 48 106.603 -12.444 -10.369 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.588 -13.336 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.835 -11.641 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.435 -12.036 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.296 -14.168 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.112 -12.885 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.902 -13.064 -8.678 1.00 0.00 H new ATOM 770 N THR A 49 107.936 -9.014 -9.655 1.00 0.00 N ATOM 771 CA THR A 49 108.527 -7.947 -10.529 1.00 0.00 C ATOM 772 C THR A 49 109.189 -8.547 -11.774 1.00 0.00 C ATOM 773 O THR A 49 109.328 -7.883 -12.783 1.00 0.00 O ATOM 774 CB THR A 49 109.569 -7.229 -9.664 1.00 0.00 C ATOM 775 OG1 THR A 49 110.521 -8.171 -9.196 1.00 0.00 O ATOM 776 CG2 THR A 49 108.881 -6.556 -8.472 1.00 0.00 C ATOM 0 H THR A 49 108.343 -9.079 -8.722 1.00 0.00 H new ATOM 0 HA THR A 49 107.756 -7.266 -10.888 1.00 0.00 H new ATOM 0 HB THR A 49 110.072 -6.468 -10.261 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.166 -8.630 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.627 -6.047 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.153 -5.830 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.373 -7.311 -7.871 1.00 0.00 H new ATOM 784 N LYS A 50 109.602 -9.790 -11.714 1.00 0.00 N ATOM 785 CA LYS A 50 110.341 -10.404 -12.870 1.00 0.00 C ATOM 786 C LYS A 50 109.505 -10.328 -14.155 1.00 0.00 C ATOM 787 O LYS A 50 110.043 -10.338 -15.247 1.00 0.00 O ATOM 788 CB LYS A 50 110.588 -11.865 -12.468 1.00 0.00 C ATOM 789 CG LYS A 50 111.494 -12.547 -13.500 1.00 0.00 C ATOM 790 CD LYS A 50 111.441 -14.063 -13.300 1.00 0.00 C ATOM 791 CE LYS A 50 112.457 -14.737 -14.224 1.00 0.00 C ATOM 792 NZ LYS A 50 112.657 -16.096 -13.650 1.00 0.00 N ATOM 0 H LYS A 50 109.461 -10.409 -10.916 1.00 0.00 H new ATOM 0 HA LYS A 50 111.273 -9.878 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.051 -11.906 -11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.639 -12.397 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.171 -12.291 -14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.518 -12.191 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.658 -14.311 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.438 -14.434 -13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.085 -14.791 -15.247 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.393 -14.180 -14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.342 -16.621 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.018 -16.013 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 111.750 -16.605 -13.640 1.00 0.00 H new ATOM 806 N ASP A 51 108.202 -10.254 -14.034 1.00 0.00 N ATOM 807 CA ASP A 51 107.347 -10.088 -15.253 1.00 0.00 C ATOM 808 C ASP A 51 107.169 -8.601 -15.616 1.00 0.00 C ATOM 809 O ASP A 51 106.365 -8.265 -16.466 1.00 0.00 O ATOM 810 CB ASP A 51 105.996 -10.749 -14.922 1.00 0.00 C ATOM 811 CG ASP A 51 105.338 -10.087 -13.703 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.253 -8.870 -13.676 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.923 -10.815 -12.816 1.00 0.00 O ATOM 0 H ASP A 51 107.695 -10.301 -13.150 1.00 0.00 H new ATOM 0 HA ASP A 51 107.810 -10.554 -16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.331 -10.675 -15.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.146 -11.811 -14.726 1.00 0.00 H new ATOM 818 N ILE A 52 107.907 -7.710 -14.984 1.00 0.00 N ATOM 819 CA ILE A 52 107.858 -6.267 -15.395 1.00 0.00 C ATOM 820 C ILE A 52 108.709 -6.055 -16.652 1.00 0.00 C ATOM 821 O ILE A 52 109.920 -6.182 -16.620 1.00 0.00 O ATOM 822 CB ILE A 52 108.434 -5.471 -14.208 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.518 -5.643 -12.984 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.537 -3.978 -14.577 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.152 -4.970 -11.759 1.00 0.00 C ATOM 0 H ILE A 52 108.535 -7.919 -14.208 1.00 0.00 H new ATOM 0 HA ILE A 52 106.844 -5.944 -15.631 1.00 0.00 H new ATOM 0 HB ILE A 52 109.430 -5.846 -13.972 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.541 -5.204 -13.186 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.357 -6.703 -12.785 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.945 -3.422 -13.733 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.193 -3.861 -15.440 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.546 -3.594 -14.820 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.498 -5.096 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.119 -5.429 -11.552 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.290 -3.907 -11.958 1.00 0.00 H new ATOM 837 N LYS A 53 108.077 -5.734 -17.752 1.00 0.00 N ATOM 838 CA LYS A 53 108.846 -5.327 -18.971 1.00 0.00 C ATOM 839 C LYS A 53 109.283 -3.865 -18.850 1.00 0.00 C ATOM 840 O LYS A 53 110.388 -3.510 -19.219 1.00 0.00 O ATOM 841 CB LYS A 53 107.880 -5.507 -20.145 1.00 0.00 C ATOM 842 CG LYS A 53 108.615 -5.251 -21.465 1.00 0.00 C ATOM 843 CD LYS A 53 109.569 -6.413 -21.754 1.00 0.00 C ATOM 844 CE LYS A 53 110.231 -6.203 -23.117 1.00 0.00 C ATOM 845 NZ LYS A 53 111.300 -5.195 -22.873 1.00 0.00 N ATOM 0 H LYS A 53 107.063 -5.736 -17.861 1.00 0.00 H new ATOM 0 HA LYS A 53 109.750 -5.922 -19.104 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.468 -6.516 -20.137 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.040 -4.819 -20.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.897 -5.145 -22.278 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.172 -4.316 -21.408 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.329 -6.476 -20.975 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.023 -7.356 -21.744 1.00 0.00 H new ATOM 0 HE2 LYS A 53 110.647 -7.134 -23.502 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.512 -5.846 -23.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.184 -4.399 -23.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.233 -4.847 -21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 112.231 -5.634 -23.021 1.00 0.00 H new ATOM 859 N ASP A 54 108.424 -3.016 -18.334 1.00 0.00 N ATOM 860 CA ASP A 54 108.752 -1.549 -18.283 1.00 0.00 C ATOM 861 C ASP A 54 108.004 -0.861 -17.139 1.00 0.00 C ATOM 862 O ASP A 54 106.908 -1.249 -16.786 1.00 0.00 O ATOM 863 CB ASP A 54 108.293 -0.976 -19.628 1.00 0.00 C ATOM 864 CG ASP A 54 109.220 -1.464 -20.743 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.423 -1.355 -20.578 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.709 -1.938 -21.745 1.00 0.00 O ATOM 0 H ASP A 54 107.515 -3.271 -17.948 1.00 0.00 H new ATOM 0 HA ASP A 54 109.816 -1.389 -18.110 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.268 -1.284 -19.834 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.297 0.113 -19.590 1.00 0.00 H new ATOM 871 N LEU A 55 108.592 0.164 -16.564 1.00 0.00 N ATOM 872 CA LEU A 55 107.960 0.845 -15.391 1.00 0.00 C ATOM 873 C LEU A 55 107.845 2.354 -15.628 1.00 0.00 C ATOM 874 O LEU A 55 108.706 2.962 -16.238 1.00 0.00 O ATOM 875 CB LEU A 55 108.906 0.579 -14.217 1.00 0.00 C ATOM 876 CG LEU A 55 108.735 -0.859 -13.729 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.025 -1.330 -13.056 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.584 -0.922 -12.720 1.00 0.00 C ATOM 0 H LEU A 55 109.485 0.558 -16.859 1.00 0.00 H new ATOM 0 HA LEU A 55 106.951 0.473 -15.211 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.938 0.748 -14.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.697 1.275 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 55 108.512 -1.504 -14.579 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.901 -2.356 -12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.846 -1.286 -13.772 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.249 -0.684 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.461 -1.947 -12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.808 -0.275 -11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.663 -0.589 -13.198 1.00 0.00 H new ATOM 890 N ARG A 56 106.783 2.958 -15.150 1.00 0.00 N ATOM 891 CA ARG A 56 106.685 4.449 -15.161 1.00 0.00 C ATOM 892 C ARG A 56 105.895 4.931 -13.936 1.00 0.00 C ATOM 893 O ARG A 56 105.142 4.180 -13.343 1.00 0.00 O ATOM 894 CB ARG A 56 105.955 4.805 -16.466 1.00 0.00 C ATOM 895 CG ARG A 56 104.525 4.246 -16.451 1.00 0.00 C ATOM 896 CD ARG A 56 103.809 4.635 -17.747 1.00 0.00 C ATOM 897 NE ARG A 56 104.464 3.827 -18.826 1.00 0.00 N ATOM 898 CZ ARG A 56 103.900 3.674 -20.009 1.00 0.00 C ATOM 899 NH1 ARG A 56 102.742 4.224 -20.296 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.508 2.960 -20.916 1.00 0.00 N ATOM 0 H ARG A 56 105.976 2.478 -14.751 1.00 0.00 H new ATOM 0 HA ARG A 56 107.663 4.928 -15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.927 5.887 -16.591 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.501 4.400 -17.318 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.549 3.161 -16.348 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.980 4.636 -15.591 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.743 4.417 -17.687 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.906 5.703 -17.943 1.00 0.00 H new ATOM 0 HE ARG A 56 105.365 3.386 -18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.257 4.785 -19.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.328 4.090 -21.219 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.408 2.528 -20.706 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.083 2.834 -21.835 1.00 0.00 H new ATOM 914 N ILE A 57 106.063 6.174 -13.557 1.00 0.00 N ATOM 915 CA ILE A 57 105.248 6.741 -12.437 1.00 0.00 C ATOM 916 C ILE A 57 104.328 7.836 -12.987 1.00 0.00 C ATOM 917 O ILE A 57 104.767 8.728 -13.689 1.00 0.00 O ATOM 918 CB ILE A 57 106.263 7.323 -11.436 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.213 6.216 -10.953 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.518 7.904 -10.229 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.410 6.835 -10.222 1.00 0.00 C ATOM 0 H ILE A 57 106.730 6.822 -13.975 1.00 0.00 H new ATOM 0 HA ILE A 57 104.616 5.993 -11.958 1.00 0.00 H new ATOM 0 HB ILE A 57 106.838 8.107 -11.929 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.683 5.535 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.560 5.627 -11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.237 8.316 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.845 8.694 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.941 7.116 -9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.078 6.043 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.947 7.498 -10.900 1.00 0.00 H new ATOM 0 HD13 ILE A 57 108.057 7.404 -9.362 1.00 0.00 H new ATOM 933 N LEU A 58 103.057 7.774 -12.669 1.00 0.00 N ATOM 934 CA LEU A 58 102.084 8.745 -13.263 1.00 0.00 C ATOM 935 C LEU A 58 102.083 10.054 -12.453 1.00 0.00 C ATOM 936 O LEU A 58 102.301 10.027 -11.256 1.00 0.00 O ATOM 937 CB LEU A 58 100.713 8.062 -13.180 1.00 0.00 C ATOM 938 CG LEU A 58 100.722 6.765 -13.996 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.456 5.962 -13.694 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.770 7.092 -15.490 1.00 0.00 C ATOM 0 H LEU A 58 102.652 7.094 -12.025 1.00 0.00 H new ATOM 0 HA LEU A 58 102.341 9.001 -14.291 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.468 7.845 -12.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.940 8.732 -13.556 1.00 0.00 H new ATOM 0 HG LEU A 58 101.601 6.179 -13.726 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.463 5.040 -14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.422 5.722 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.579 6.552 -13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.776 6.166 -16.065 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.895 7.682 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.673 7.661 -15.709 1.00 0.00 H new ATOM 952 N PRO A 59 101.837 11.163 -13.127 1.00 0.00 N ATOM 953 CA PRO A 59 101.829 12.480 -12.436 1.00 0.00 C ATOM 954 C PRO A 59 100.599 12.599 -11.531 1.00 0.00 C ATOM 955 O PRO A 59 99.720 11.756 -11.553 1.00 0.00 O ATOM 956 CB PRO A 59 101.767 13.496 -13.576 1.00 0.00 C ATOM 957 CG PRO A 59 101.179 12.752 -14.732 1.00 0.00 C ATOM 958 CD PRO A 59 101.549 11.302 -14.566 1.00 0.00 C ATOM 0 HA PRO A 59 102.697 12.628 -11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 59 101.152 14.354 -13.306 1.00 0.00 H new ATOM 0 HB3 PRO A 59 102.759 13.878 -13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 59 100.096 12.872 -14.755 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.563 13.141 -15.675 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.735 10.646 -14.874 1.00 0.00 H new ATOM 0 HD3 PRO A 59 102.416 11.041 -15.172 1.00 0.00 H new ATOM 966 N LYS A 60 100.535 13.640 -10.737 1.00 0.00 N ATOM 967 CA LYS A 60 99.347 13.843 -9.846 1.00 0.00 C ATOM 968 C LYS A 60 98.115 14.191 -10.687 1.00 0.00 C ATOM 969 O LYS A 60 98.193 14.969 -11.618 1.00 0.00 O ATOM 970 CB LYS A 60 99.719 15.013 -8.930 1.00 0.00 C ATOM 971 CG LYS A 60 98.671 15.153 -7.825 1.00 0.00 C ATOM 972 CD LYS A 60 99.003 16.368 -6.958 1.00 0.00 C ATOM 973 CE LYS A 60 98.058 16.413 -5.754 1.00 0.00 C ATOM 974 NZ LYS A 60 98.813 17.144 -4.700 1.00 0.00 N ATOM 0 H LYS A 60 101.255 14.359 -10.667 1.00 0.00 H new ATOM 0 HA LYS A 60 99.105 12.947 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 60 100.703 14.847 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 60 99.779 15.935 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 60 97.679 15.265 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 60 98.650 14.251 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.038 16.314 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 60 98.907 17.282 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 60 97.128 16.925 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 60 97.791 15.409 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 98.230 17.216 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 99.690 16.629 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 99.048 18.099 -5.040 1.00 0.00 H new ATOM 988 N ASN A 61 96.981 13.617 -10.361 1.00 0.00 N ATOM 989 CA ASN A 61 95.743 13.883 -11.157 1.00 0.00 C ATOM 990 C ASN A 61 94.920 14.996 -10.503 1.00 0.00 C ATOM 991 O ASN A 61 94.629 14.950 -9.322 1.00 0.00 O ATOM 992 CB ASN A 61 94.967 12.563 -11.141 1.00 0.00 C ATOM 993 CG ASN A 61 95.742 11.492 -11.915 1.00 0.00 C ATOM 994 OD1 ASN A 61 96.456 11.796 -12.851 1.00 0.00 O ATOM 995 ND2 ASN A 61 95.630 10.241 -11.562 1.00 0.00 N ATOM 0 H ASN A 61 96.861 12.975 -9.577 1.00 0.00 H new ATOM 0 HA ASN A 61 95.970 14.210 -12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 61 94.808 12.237 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 61 93.982 12.705 -11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 61 96.141 9.520 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 61 95.031 9.984 -10.777 1.00 0.00 H new ATOM 1002 N GLU A 62 94.547 15.994 -11.268 1.00 0.00 N ATOM 1003 CA GLU A 62 93.723 17.111 -10.710 1.00 0.00 C ATOM 1004 C GLU A 62 92.247 16.918 -11.074 1.00 0.00 C ATOM 1005 O GLU A 62 91.510 17.873 -11.233 1.00 0.00 O ATOM 1006 CB GLU A 62 94.275 18.378 -11.367 1.00 0.00 C ATOM 1007 CG GLU A 62 95.702 18.633 -10.873 1.00 0.00 C ATOM 1008 CD GLU A 62 96.225 19.951 -11.454 1.00 0.00 C ATOM 1009 OE1 GLU A 62 95.913 20.242 -12.599 1.00 0.00 O ATOM 1010 OE2 GLU A 62 96.931 20.649 -10.743 1.00 0.00 O ATOM 0 H GLU A 62 94.779 16.083 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 62 93.777 17.158 -9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 94.269 18.270 -12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 62 93.639 19.230 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 62 95.718 18.674 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 62 96.352 17.810 -11.171 1.00 0.00 H new ATOM 1017 N ILE A 63 91.808 15.683 -11.208 1.00 0.00 N ATOM 1018 CA ILE A 63 90.379 15.395 -11.588 1.00 0.00 C ATOM 1019 C ILE A 63 90.001 16.147 -12.874 1.00 0.00 C ATOM 1020 O ILE A 63 89.517 17.264 -12.831 1.00 0.00 O ATOM 1021 CB ILE A 63 89.519 15.874 -10.397 1.00 0.00 C ATOM 1022 CG1 ILE A 63 89.968 15.181 -9.092 1.00 0.00 C ATOM 1023 CG2 ILE A 63 88.041 15.558 -10.659 1.00 0.00 C ATOM 1024 CD1 ILE A 63 89.901 13.652 -9.230 1.00 0.00 C ATOM 0 H ILE A 63 92.385 14.853 -11.069 1.00 0.00 H new ATOM 0 HA ILE A 63 90.223 14.335 -11.787 1.00 0.00 H new ATOM 0 HB ILE A 63 89.649 16.951 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 63 90.986 15.483 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 63 89.332 15.504 -8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.441 15.899 -9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.715 16.068 -11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 63 87.915 14.482 -10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 63 90.222 13.188 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 63 88.877 13.351 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 63 90.556 13.331 -10.040 1.00 0.00 H new ATOM 1036 N MET A 64 90.222 15.537 -14.014 1.00 0.00 N ATOM 1037 CA MET A 64 89.874 16.196 -15.309 1.00 0.00 C ATOM 1038 C MET A 64 88.487 15.722 -15.783 1.00 0.00 C ATOM 1039 O MET A 64 88.182 14.549 -15.677 1.00 0.00 O ATOM 1040 CB MET A 64 90.959 15.738 -16.287 1.00 0.00 C ATOM 1041 CG MET A 64 90.934 16.621 -17.536 1.00 0.00 C ATOM 1042 SD MET A 64 91.644 18.240 -17.145 1.00 0.00 S ATOM 1043 CE MET A 64 93.372 17.713 -17.052 1.00 0.00 C ATOM 0 H MET A 64 90.631 14.606 -14.102 1.00 0.00 H new ATOM 0 HA MET A 64 89.831 17.282 -15.226 1.00 0.00 H new ATOM 0 HB2 MET A 64 91.938 15.793 -15.811 1.00 0.00 H new ATOM 0 HB3 MET A 64 90.797 14.696 -16.563 1.00 0.00 H new ATOM 0 HG2 MET A 64 91.499 16.149 -18.340 1.00 0.00 H new ATOM 0 HG3 MET A 64 89.910 16.737 -17.892 1.00 0.00 H new ATOM 0 HE1 MET A 64 93.990 18.385 -17.648 1.00 0.00 H new ATOM 0 HE2 MET A 64 93.705 17.738 -16.014 1.00 0.00 H new ATOM 0 HE3 MET A 64 93.464 16.698 -17.438 1.00 0.00 H new ATOM 1053 N PRO A 65 87.681 16.642 -16.293 1.00 0.00 N ATOM 1054 CA PRO A 65 86.320 16.270 -16.772 1.00 0.00 C ATOM 1055 C PRO A 65 86.410 15.310 -17.965 1.00 0.00 C ATOM 1056 O PRO A 65 85.558 14.458 -18.151 1.00 0.00 O ATOM 1057 CB PRO A 65 85.692 17.603 -17.190 1.00 0.00 C ATOM 1058 CG PRO A 65 86.840 18.542 -17.380 1.00 0.00 C ATOM 1059 CD PRO A 65 87.946 18.079 -16.472 1.00 0.00 C ATOM 0 HA PRO A 65 85.734 15.755 -16.011 1.00 0.00 H new ATOM 0 HB2 PRO A 65 85.117 17.495 -18.110 1.00 0.00 H new ATOM 0 HB3 PRO A 65 85.006 17.971 -16.427 1.00 0.00 H new ATOM 0 HG2 PRO A 65 87.169 18.542 -18.419 1.00 0.00 H new ATOM 0 HG3 PRO A 65 86.546 19.563 -17.139 1.00 0.00 H new ATOM 0 HD2 PRO A 65 88.926 18.252 -16.916 1.00 0.00 H new ATOM 0 HD3 PRO A 65 87.930 18.610 -15.520 1.00 0.00 H new ATOM 1067 N LYS A 66 87.436 15.442 -18.772 1.00 0.00 N ATOM 1068 CA LYS A 66 87.602 14.531 -19.944 1.00 0.00 C ATOM 1069 C LYS A 66 88.724 13.523 -19.677 1.00 0.00 C ATOM 1070 O LYS A 66 89.851 13.897 -19.409 1.00 0.00 O ATOM 1071 CB LYS A 66 87.974 15.448 -21.112 1.00 0.00 C ATOM 1072 CG LYS A 66 86.785 16.346 -21.458 1.00 0.00 C ATOM 1073 CD LYS A 66 87.126 17.196 -22.684 1.00 0.00 C ATOM 1074 CE LYS A 66 85.986 18.178 -22.960 1.00 0.00 C ATOM 1075 NZ LYS A 66 84.999 17.404 -23.765 1.00 0.00 N ATOM 0 H LYS A 66 88.167 16.145 -18.667 1.00 0.00 H new ATOM 0 HA LYS A 66 86.699 13.956 -20.149 1.00 0.00 H new ATOM 0 HB2 LYS A 66 88.838 16.057 -20.848 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.257 14.852 -21.980 1.00 0.00 H new ATOM 0 HG2 LYS A 66 85.903 15.738 -21.658 1.00 0.00 H new ATOM 0 HG3 LYS A 66 86.544 16.990 -20.612 1.00 0.00 H new ATOM 0 HD2 LYS A 66 88.055 17.740 -22.515 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.285 16.555 -23.551 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.542 18.539 -22.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 86.341 19.053 -23.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.186 18.011 -23.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.448 17.079 -24.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.674 16.582 -23.218 1.00 0.00 H new ATOM 1089 N ASN A 67 88.419 12.249 -19.748 1.00 0.00 N ATOM 1090 CA ASN A 67 89.468 11.202 -19.514 1.00 0.00 C ATOM 1091 C ASN A 67 90.516 11.243 -20.631 1.00 0.00 C ATOM 1092 O ASN A 67 91.695 11.051 -20.393 1.00 0.00 O ATOM 1093 CB ASN A 67 88.721 9.865 -19.530 1.00 0.00 C ATOM 1094 CG ASN A 67 89.643 8.756 -19.015 1.00 0.00 C ATOM 1095 OD1 ASN A 67 90.835 8.779 -19.250 1.00 0.00 O ATOM 1096 ND2 ASN A 67 89.136 7.776 -18.317 1.00 0.00 N ATOM 0 H ASN A 67 87.489 11.887 -19.958 1.00 0.00 H new ATOM 0 HA ASN A 67 89.996 11.358 -18.573 1.00 0.00 H new ATOM 0 HB2 ASN A 67 87.828 9.928 -18.908 1.00 0.00 H new ATOM 0 HB3 ASN A 67 88.388 9.635 -20.542 1.00 0.00 H new ATOM 0 HD21 ASN A 67 89.740 7.031 -17.970 1.00 0.00 H new ATOM 0 HD22 ASN A 67 88.136 7.755 -18.119 1.00 0.00 H new ATOM 1103 N GLY A 68 90.091 11.493 -21.846 1.00 0.00 N ATOM 1104 CA GLY A 68 91.051 11.557 -22.988 1.00 0.00 C ATOM 1105 C GLY A 68 90.275 11.650 -24.304 1.00 0.00 C ATOM 1106 O GLY A 68 89.058 11.623 -24.316 1.00 0.00 O ATOM 0 H GLY A 68 89.115 11.656 -22.095 1.00 0.00 H new ATOM 0 HA2 GLY A 68 91.706 12.421 -22.878 1.00 0.00 H new ATOM 0 HA3 GLY A 68 91.688 10.673 -22.991 1.00 0.00 H new ATOM 1110 N THR A 69 90.974 11.759 -25.408 1.00 0.00 N ATOM 1111 CA THR A 69 90.289 11.849 -26.733 1.00 0.00 C ATOM 1112 C THR A 69 91.198 11.300 -27.839 1.00 0.00 C ATOM 1113 O THR A 69 91.174 11.769 -28.962 1.00 0.00 O ATOM 1114 CB THR A 69 90.028 13.343 -26.944 1.00 0.00 C ATOM 1115 OG1 THR A 69 89.420 13.884 -25.779 1.00 0.00 O ATOM 1116 CG2 THR A 69 89.099 13.536 -28.143 1.00 0.00 C ATOM 0 H THR A 69 91.993 11.789 -25.447 1.00 0.00 H new ATOM 0 HA THR A 69 89.368 11.266 -26.762 1.00 0.00 H new ATOM 0 HB THR A 69 90.972 13.854 -27.133 1.00 0.00 H new ATOM 0 HG1 THR A 69 89.253 14.841 -25.911 1.00 0.00 H new ATOM 0 HG21 THR A 69 88.914 14.600 -28.292 1.00 0.00 H new ATOM 0 HG22 THR A 69 89.566 13.120 -29.036 1.00 0.00 H new ATOM 0 HG23 THR A 69 88.154 13.026 -27.957 1.00 0.00 H new ATOM 1124 N LYS A 70 91.996 10.306 -27.524 1.00 0.00 N ATOM 1125 CA LYS A 70 92.929 9.726 -28.548 1.00 0.00 C ATOM 1126 C LYS A 70 92.135 9.077 -29.687 1.00 0.00 C ATOM 1127 O LYS A 70 92.449 9.253 -30.850 1.00 0.00 O ATOM 1128 CB LYS A 70 93.748 8.672 -27.800 1.00 0.00 C ATOM 1129 CG LYS A 70 94.905 8.199 -28.684 1.00 0.00 C ATOM 1130 CD LYS A 70 95.542 6.950 -28.070 1.00 0.00 C ATOM 1131 CE LYS A 70 96.335 7.342 -26.821 1.00 0.00 C ATOM 1132 NZ LYS A 70 96.891 6.061 -26.303 1.00 0.00 N ATOM 0 H LYS A 70 92.043 9.871 -26.603 1.00 0.00 H new ATOM 0 HA LYS A 70 93.564 10.489 -28.997 1.00 0.00 H new ATOM 0 HB2 LYS A 70 94.134 9.089 -26.870 1.00 0.00 H new ATOM 0 HB3 LYS A 70 93.114 7.827 -27.531 1.00 0.00 H new ATOM 0 HG2 LYS A 70 94.542 7.979 -29.688 1.00 0.00 H new ATOM 0 HG3 LYS A 70 95.649 8.989 -28.780 1.00 0.00 H new ATOM 0 HD2 LYS A 70 94.770 6.225 -27.811 1.00 0.00 H new ATOM 0 HD3 LYS A 70 96.199 6.470 -28.795 1.00 0.00 H new ATOM 0 HE2 LYS A 70 97.129 8.048 -27.063 1.00 0.00 H new ATOM 0 HE3 LYS A 70 95.695 7.823 -26.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 97.449 6.246 -25.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 96.112 5.411 -26.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 97.501 5.630 -27.026 1.00 0.00 H new ATOM 1146 N SER A 71 91.110 8.328 -29.358 1.00 0.00 N ATOM 1147 CA SER A 71 90.281 7.668 -30.413 1.00 0.00 C ATOM 1148 C SER A 71 88.915 7.253 -29.835 1.00 0.00 C ATOM 1149 O SER A 71 88.769 6.150 -29.342 1.00 0.00 O ATOM 1150 CB SER A 71 91.085 6.439 -30.838 1.00 0.00 C ATOM 1151 OG SER A 71 91.415 5.672 -29.688 1.00 0.00 O ATOM 0 H SER A 71 90.812 8.145 -28.400 1.00 0.00 H new ATOM 0 HA SER A 71 90.078 8.330 -31.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 90.506 5.836 -31.538 1.00 0.00 H new ATOM 0 HB3 SER A 71 91.993 6.746 -31.357 1.00 0.00 H new ATOM 0 HG SER A 71 90.612 5.539 -29.142 1.00 0.00 H new ATOM 1157 N PRO A 72 87.951 8.152 -29.910 1.00 0.00 N ATOM 1158 CA PRO A 72 86.587 7.842 -29.399 1.00 0.00 C ATOM 1159 C PRO A 72 85.921 6.773 -30.273 1.00 0.00 C ATOM 1160 O PRO A 72 85.966 6.840 -31.488 1.00 0.00 O ATOM 1161 CB PRO A 72 85.841 9.174 -29.503 1.00 0.00 C ATOM 1162 CG PRO A 72 86.598 9.976 -30.512 1.00 0.00 C ATOM 1163 CD PRO A 72 88.030 9.514 -30.464 1.00 0.00 C ATOM 0 HA PRO A 72 86.593 7.447 -28.383 1.00 0.00 H new ATOM 0 HB2 PRO A 72 84.808 9.022 -29.817 1.00 0.00 H new ATOM 0 HB3 PRO A 72 85.810 9.683 -28.540 1.00 0.00 H new ATOM 0 HG2 PRO A 72 86.181 9.833 -31.509 1.00 0.00 H new ATOM 0 HG3 PRO A 72 86.529 11.040 -30.287 1.00 0.00 H new ATOM 0 HD2 PRO A 72 88.482 9.515 -31.456 1.00 0.00 H new ATOM 0 HD3 PRO A 72 88.638 10.165 -29.836 1.00 0.00 H new ATOM 1171 N SER A 73 85.307 5.790 -29.660 1.00 0.00 N ATOM 1172 CA SER A 73 84.624 4.714 -30.443 1.00 0.00 C ATOM 1173 C SER A 73 83.621 3.970 -29.558 1.00 0.00 C ATOM 1174 O SER A 73 82.427 4.001 -29.800 1.00 0.00 O ATOM 1175 CB SER A 73 85.745 3.776 -30.890 1.00 0.00 C ATOM 1176 OG SER A 73 86.299 4.255 -32.109 1.00 0.00 O ATOM 0 H SER A 73 85.250 5.687 -28.647 1.00 0.00 H new ATOM 0 HA SER A 73 84.065 5.112 -31.290 1.00 0.00 H new ATOM 0 HB2 SER A 73 86.517 3.722 -30.123 1.00 0.00 H new ATOM 0 HB3 SER A 73 85.358 2.766 -31.025 1.00 0.00 H new ATOM 0 HG SER A 73 86.110 5.212 -32.200 1.00 0.00 H new ATOM 1182 N THR A 74 84.098 3.301 -28.535 1.00 0.00 N ATOM 1183 CA THR A 74 83.179 2.539 -27.628 1.00 0.00 C ATOM 1184 C THR A 74 82.285 3.507 -26.845 1.00 0.00 C ATOM 1185 O THR A 74 81.133 3.219 -26.577 1.00 0.00 O ATOM 1186 CB THR A 74 84.094 1.764 -26.675 1.00 0.00 C ATOM 1187 OG1 THR A 74 85.066 1.054 -27.428 1.00 0.00 O ATOM 1188 CG2 THR A 74 83.262 0.777 -25.853 1.00 0.00 C ATOM 0 H THR A 74 85.086 3.249 -28.288 1.00 0.00 H new ATOM 0 HA THR A 74 82.519 1.872 -28.183 1.00 0.00 H new ATOM 0 HB THR A 74 84.593 2.462 -26.003 1.00 0.00 H new ATOM 0 HG1 THR A 74 85.653 0.559 -26.820 1.00 0.00 H new ATOM 0 HG21 THR A 74 83.915 0.227 -25.176 1.00 0.00 H new ATOM 0 HG22 THR A 74 82.516 1.323 -25.275 1.00 0.00 H new ATOM 0 HG23 THR A 74 82.761 0.078 -26.522 1.00 0.00 H new ATOM 1196 N ASN A 75 82.812 4.651 -26.479 1.00 0.00 N ATOM 1197 CA ASN A 75 82.009 5.641 -25.697 1.00 0.00 C ATOM 1198 C ASN A 75 81.452 6.723 -26.627 1.00 0.00 C ATOM 1199 O ASN A 75 82.177 7.311 -27.409 1.00 0.00 O ATOM 1200 CB ASN A 75 82.992 6.248 -24.695 1.00 0.00 C ATOM 1201 CG ASN A 75 83.427 5.181 -23.688 1.00 0.00 C ATOM 1202 OD1 ASN A 75 82.637 4.347 -23.288 1.00 0.00 O ATOM 1203 ND2 ASN A 75 84.658 5.170 -23.259 1.00 0.00 N ATOM 0 H ASN A 75 83.767 4.942 -26.689 1.00 0.00 H new ATOM 0 HA ASN A 75 81.156 5.179 -25.200 1.00 0.00 H new ATOM 0 HB2 ASN A 75 83.862 6.644 -25.219 1.00 0.00 H new ATOM 0 HB3 ASN A 75 82.526 7.084 -24.174 1.00 0.00 H new ATOM 0 HD21 ASN A 75 84.958 4.462 -22.588 1.00 0.00 H new ATOM 0 HD22 ASN A 75 85.321 5.869 -23.594 1.00 0.00 H new ATOM 1210 N SER A 76 80.171 6.986 -26.543 1.00 0.00 N ATOM 1211 CA SER A 76 79.551 8.032 -27.413 1.00 0.00 C ATOM 1212 C SER A 76 78.391 8.711 -26.678 1.00 0.00 C ATOM 1213 O SER A 76 77.940 8.239 -25.651 1.00 0.00 O ATOM 1214 CB SER A 76 79.041 7.276 -28.639 1.00 0.00 C ATOM 1215 OG SER A 76 77.970 6.424 -28.253 1.00 0.00 O ATOM 0 H SER A 76 79.526 6.519 -25.906 1.00 0.00 H new ATOM 0 HA SER A 76 80.257 8.817 -27.684 1.00 0.00 H new ATOM 0 HB2 SER A 76 78.705 7.980 -29.401 1.00 0.00 H new ATOM 0 HB3 SER A 76 79.847 6.689 -29.080 1.00 0.00 H new ATOM 0 HG SER A 76 77.639 5.939 -29.037 1.00 0.00 H new ATOM 1221 N THR A 77 77.911 9.814 -27.199 1.00 0.00 N ATOM 1222 CA THR A 77 76.775 10.530 -26.539 1.00 0.00 C ATOM 1223 C THR A 77 75.440 9.935 -26.996 1.00 0.00 C ATOM 1224 O THR A 77 74.986 10.186 -28.098 1.00 0.00 O ATOM 1225 CB THR A 77 76.896 11.987 -26.993 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.998 12.032 -28.410 1.00 0.00 O ATOM 1227 CG2 THR A 77 78.143 12.615 -26.369 1.00 0.00 C ATOM 0 H THR A 77 78.257 10.250 -28.054 1.00 0.00 H new ATOM 0 HA THR A 77 76.810 10.441 -25.453 1.00 0.00 H new ATOM 0 HB THR A 77 76.014 12.543 -26.674 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.381 11.380 -28.803 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.229 13.652 -26.693 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.064 12.579 -25.282 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.027 12.062 -26.687 1.00 0.00 H new ATOM 1235 N LYS A 78 74.812 9.149 -26.154 1.00 0.00 N ATOM 1236 CA LYS A 78 73.507 8.525 -26.528 1.00 0.00 C ATOM 1237 C LYS A 78 72.536 8.583 -25.343 1.00 0.00 C ATOM 1238 O LYS A 78 72.928 8.417 -24.203 1.00 0.00 O ATOM 1239 CB LYS A 78 73.846 7.074 -26.873 1.00 0.00 C ATOM 1240 CG LYS A 78 72.624 6.395 -27.494 1.00 0.00 C ATOM 1241 CD LYS A 78 72.945 4.928 -27.782 1.00 0.00 C ATOM 1242 CE LYS A 78 71.781 4.289 -28.542 1.00 0.00 C ATOM 1243 NZ LYS A 78 72.016 4.643 -29.970 1.00 0.00 N ATOM 0 H LYS A 78 75.150 8.913 -25.221 1.00 0.00 H new ATOM 0 HA LYS A 78 73.026 9.039 -27.360 1.00 0.00 H new ATOM 0 HB2 LYS A 78 74.685 7.041 -27.568 1.00 0.00 H new ATOM 0 HB3 LYS A 78 74.155 6.539 -25.975 1.00 0.00 H new ATOM 0 HG2 LYS A 78 71.773 6.466 -26.817 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.341 6.904 -28.416 1.00 0.00 H new ATOM 0 HD2 LYS A 78 73.860 4.854 -28.369 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.121 4.393 -26.849 1.00 0.00 H new ATOM 0 HE2 LYS A 78 71.763 3.208 -28.401 1.00 0.00 H new ATOM 0 HE3 LYS A 78 70.823 4.673 -28.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 71.108 4.864 -30.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 72.641 5.472 -30.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 72.463 3.840 -30.458 1.00 0.00 H new ATOM 1257 N LEU A 79 71.275 8.819 -25.611 1.00 0.00 N ATOM 1258 CA LEU A 79 70.265 8.877 -24.507 1.00 0.00 C ATOM 1259 C LEU A 79 69.674 7.487 -24.262 1.00 0.00 C ATOM 1260 O LEU A 79 69.351 6.770 -25.193 1.00 0.00 O ATOM 1261 CB LEU A 79 69.180 9.841 -25.000 1.00 0.00 C ATOM 1262 CG LEU A 79 69.768 11.246 -25.158 1.00 0.00 C ATOM 1263 CD1 LEU A 79 68.771 12.135 -25.902 1.00 0.00 C ATOM 1264 CD2 LEU A 79 70.045 11.843 -23.775 1.00 0.00 C ATOM 0 H LEU A 79 70.901 8.974 -26.547 1.00 0.00 H new ATOM 0 HA LEU A 79 70.704 9.210 -23.567 1.00 0.00 H new ATOM 0 HB2 LEU A 79 68.779 9.495 -25.953 1.00 0.00 H new ATOM 0 HB3 LEU A 79 68.350 9.861 -24.293 1.00 0.00 H new ATOM 0 HG LEU A 79 70.698 11.188 -25.723 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.189 13.135 -26.015 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.571 11.712 -26.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 67.841 12.192 -25.336 1.00 0.00 H new ATOM 0 HD21 LEU A 79 70.464 12.843 -23.888 1.00 0.00 H new ATOM 0 HD22 LEU A 79 69.114 11.901 -23.211 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.755 11.211 -23.241 1.00 0.00 H new ATOM 1276 N LYS A 80 69.533 7.103 -23.016 1.00 0.00 N ATOM 1277 CA LYS A 80 68.978 5.751 -22.697 1.00 0.00 C ATOM 1278 C LYS A 80 67.516 5.868 -22.256 1.00 0.00 C ATOM 1279 O LYS A 80 67.183 6.662 -21.395 1.00 0.00 O ATOM 1280 CB LYS A 80 69.843 5.221 -21.550 1.00 0.00 C ATOM 1281 CG LYS A 80 71.287 5.030 -22.031 1.00 0.00 C ATOM 1282 CD LYS A 80 71.352 3.853 -23.007 1.00 0.00 C ATOM 1283 CE LYS A 80 72.814 3.558 -23.353 1.00 0.00 C ATOM 1284 NZ LYS A 80 73.311 2.712 -22.232 1.00 0.00 N ATOM 0 H LYS A 80 69.779 7.670 -22.205 1.00 0.00 H new ATOM 0 HA LYS A 80 68.998 5.086 -23.561 1.00 0.00 H new ATOM 0 HB2 LYS A 80 69.819 5.918 -20.712 1.00 0.00 H new ATOM 0 HB3 LYS A 80 69.443 4.274 -21.188 1.00 0.00 H new ATOM 0 HG2 LYS A 80 71.642 5.939 -22.517 1.00 0.00 H new ATOM 0 HG3 LYS A 80 71.943 4.847 -21.180 1.00 0.00 H new ATOM 0 HD2 LYS A 80 70.887 2.973 -22.563 1.00 0.00 H new ATOM 0 HD3 LYS A 80 70.793 4.086 -23.913 1.00 0.00 H new ATOM 0 HE2 LYS A 80 72.897 3.038 -24.307 1.00 0.00 H new ATOM 0 HE3 LYS A 80 73.393 4.478 -23.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 74.280 2.997 -21.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 72.693 2.834 -21.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 73.307 1.713 -22.522 1.00 0.00 H new ATOM 1298 N SER A 81 66.646 5.082 -22.841 1.00 0.00 N ATOM 1299 CA SER A 81 65.200 5.123 -22.448 1.00 0.00 C ATOM 1300 C SER A 81 65.016 4.576 -21.027 1.00 0.00 C ATOM 1301 O SER A 81 64.117 4.982 -20.313 1.00 0.00 O ATOM 1302 CB SER A 81 64.477 4.232 -23.460 1.00 0.00 C ATOM 1303 OG SER A 81 64.877 2.882 -23.267 1.00 0.00 O ATOM 0 H SER A 81 66.874 4.412 -23.575 1.00 0.00 H new ATOM 0 HA SER A 81 64.808 6.140 -22.451 1.00 0.00 H new ATOM 0 HB2 SER A 81 63.398 4.325 -23.338 1.00 0.00 H new ATOM 0 HB3 SER A 81 64.711 4.551 -24.476 1.00 0.00 H new ATOM 0 HG SER A 81 64.414 2.308 -23.913 1.00 0.00 H new ATOM 1309 N ALA A 82 65.860 3.659 -20.615 1.00 0.00 N ATOM 1310 CA ALA A 82 65.731 3.068 -19.242 1.00 0.00 C ATOM 1311 C ALA A 82 65.998 4.134 -18.172 1.00 0.00 C ATOM 1312 O ALA A 82 65.431 4.093 -17.096 1.00 0.00 O ATOM 1313 CB ALA A 82 66.791 1.966 -19.172 1.00 0.00 C ATOM 0 H ALA A 82 66.634 3.293 -21.170 1.00 0.00 H new ATOM 0 HA ALA A 82 64.729 2.680 -19.061 1.00 0.00 H new ATOM 0 HB1 ALA A 82 66.755 1.488 -18.193 1.00 0.00 H new ATOM 0 HB2 ALA A 82 66.595 1.223 -19.946 1.00 0.00 H new ATOM 0 HB3 ALA A 82 67.778 2.401 -19.328 1.00 0.00 H new ATOM 1319 N GLU A 83 66.856 5.082 -18.463 1.00 0.00 N ATOM 1320 CA GLU A 83 67.168 6.153 -17.465 1.00 0.00 C ATOM 1321 C GLU A 83 66.257 7.364 -17.687 1.00 0.00 C ATOM 1322 O GLU A 83 66.090 7.828 -18.800 1.00 0.00 O ATOM 1323 CB GLU A 83 68.629 6.527 -17.720 1.00 0.00 C ATOM 1324 CG GLU A 83 69.533 5.343 -17.369 1.00 0.00 C ATOM 1325 CD GLU A 83 70.998 5.746 -17.556 1.00 0.00 C ATOM 1326 OE1 GLU A 83 71.431 5.815 -18.693 1.00 0.00 O ATOM 1327 OE2 GLU A 83 71.659 5.976 -16.557 1.00 0.00 O ATOM 0 H GLU A 83 67.354 5.160 -19.350 1.00 0.00 H new ATOM 0 HA GLU A 83 67.009 5.818 -16.440 1.00 0.00 H new ATOM 0 HB2 GLU A 83 68.766 6.805 -18.765 1.00 0.00 H new ATOM 0 HB3 GLU A 83 68.902 7.396 -17.121 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.359 5.032 -16.339 1.00 0.00 H new ATOM 0 HG3 GLU A 83 69.296 4.490 -18.004 1.00 0.00 H new ATOM 1334 N THR A 84 65.668 7.874 -16.632 1.00 0.00 N ATOM 1335 CA THR A 84 64.767 9.061 -16.763 1.00 0.00 C ATOM 1336 C THR A 84 65.162 10.139 -15.751 1.00 0.00 C ATOM 1337 O THR A 84 65.851 9.867 -14.784 1.00 0.00 O ATOM 1338 CB THR A 84 63.363 8.531 -16.460 1.00 0.00 C ATOM 1339 OG1 THR A 84 63.372 7.862 -15.207 1.00 0.00 O ATOM 1340 CG2 THR A 84 62.932 7.555 -17.559 1.00 0.00 C ATOM 0 H THR A 84 65.773 7.517 -15.682 1.00 0.00 H new ATOM 0 HA THR A 84 64.826 9.516 -17.752 1.00 0.00 H new ATOM 0 HB THR A 84 62.661 9.364 -16.424 1.00 0.00 H new ATOM 0 HG1 THR A 84 62.474 7.523 -15.010 1.00 0.00 H new ATOM 0 HG21 THR A 84 61.932 7.179 -17.341 1.00 0.00 H new ATOM 0 HG22 THR A 84 62.924 8.069 -18.520 1.00 0.00 H new ATOM 0 HG23 THR A 84 63.632 6.721 -17.600 1.00 0.00 H new ATOM 1348 N TYR A 85 64.730 11.357 -15.969 1.00 0.00 N ATOM 1349 CA TYR A 85 65.067 12.462 -15.018 1.00 0.00 C ATOM 1350 C TYR A 85 64.090 13.633 -15.194 1.00 0.00 C ATOM 1351 O TYR A 85 64.454 14.782 -15.025 1.00 0.00 O ATOM 1352 CB TYR A 85 66.494 12.883 -15.384 1.00 0.00 C ATOM 1353 CG TYR A 85 66.646 13.365 -16.810 1.00 0.00 C ATOM 1354 CD1 TYR A 85 66.471 14.737 -17.116 1.00 0.00 C ATOM 1355 CD2 TYR A 85 66.962 12.445 -17.839 1.00 0.00 C ATOM 1356 CE1 TYR A 85 66.614 15.188 -18.451 1.00 0.00 C ATOM 1357 CE2 TYR A 85 67.105 12.896 -19.174 1.00 0.00 C ATOM 1358 CZ TYR A 85 66.931 14.268 -19.479 1.00 0.00 C ATOM 1359 OH TYR A 85 67.070 14.708 -20.779 1.00 0.00 O ATOM 0 H TYR A 85 64.157 11.634 -16.766 1.00 0.00 H new ATOM 0 HA TYR A 85 64.994 12.147 -13.977 1.00 0.00 H new ATOM 0 HB2 TYR A 85 66.813 13.676 -14.707 1.00 0.00 H new ATOM 0 HB3 TYR A 85 67.164 12.038 -15.223 1.00 0.00 H new ATOM 0 HD1 TYR A 85 66.229 15.439 -16.332 1.00 0.00 H new ATOM 0 HD2 TYR A 85 67.094 11.399 -17.606 1.00 0.00 H new ATOM 0 HE1 TYR A 85 66.481 16.234 -18.685 1.00 0.00 H new ATOM 0 HE2 TYR A 85 67.347 12.194 -19.959 1.00 0.00 H new ATOM 0 HH TYR A 85 67.289 13.949 -21.359 1.00 0.00 H new ATOM 1369 N SER A 86 62.857 13.344 -15.532 1.00 0.00 N ATOM 1370 CA SER A 86 61.849 14.430 -15.725 1.00 0.00 C ATOM 1371 C SER A 86 60.431 13.876 -15.548 1.00 0.00 C ATOM 1372 O SER A 86 59.500 14.314 -16.200 1.00 0.00 O ATOM 1373 CB SER A 86 62.063 14.915 -17.158 1.00 0.00 C ATOM 1374 OG SER A 86 63.078 15.911 -17.171 1.00 0.00 O ATOM 0 H SER A 86 62.505 12.399 -15.683 1.00 0.00 H new ATOM 0 HA SER A 86 61.965 15.236 -15.000 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.349 14.080 -17.798 1.00 0.00 H new ATOM 0 HB3 SER A 86 61.134 15.321 -17.559 1.00 0.00 H new ATOM 0 HG SER A 86 63.654 15.802 -16.385 1.00 0.00 H new ATOM 1380 N SER A 87 60.264 12.918 -14.669 1.00 0.00 N ATOM 1381 CA SER A 87 58.911 12.320 -14.443 1.00 0.00 C ATOM 1382 C SER A 87 58.544 12.387 -12.957 1.00 0.00 C ATOM 1383 O SER A 87 59.405 12.461 -12.101 1.00 0.00 O ATOM 1384 CB SER A 87 59.042 10.867 -14.897 1.00 0.00 C ATOM 1385 OG SER A 87 59.948 10.187 -14.040 1.00 0.00 O ATOM 0 H SER A 87 61.010 12.523 -14.096 1.00 0.00 H new ATOM 0 HA SER A 87 58.129 12.849 -14.987 1.00 0.00 H new ATOM 0 HB2 SER A 87 58.068 10.378 -14.876 1.00 0.00 H new ATOM 0 HB3 SER A 87 59.397 10.826 -15.927 1.00 0.00 H new ATOM 0 HG SER A 87 60.033 9.254 -14.328 1.00 0.00 H new ATOM 1391 N LYS A 88 57.268 12.361 -12.652 1.00 0.00 N ATOM 1392 CA LYS A 88 56.826 12.416 -11.225 1.00 0.00 C ATOM 1393 C LYS A 88 55.958 11.198 -10.894 1.00 0.00 C ATOM 1394 O LYS A 88 55.042 10.865 -11.623 1.00 0.00 O ATOM 1395 CB LYS A 88 56.008 13.703 -11.115 1.00 0.00 C ATOM 1396 CG LYS A 88 55.739 14.013 -9.641 1.00 0.00 C ATOM 1397 CD LYS A 88 54.641 15.075 -9.534 1.00 0.00 C ATOM 1398 CE LYS A 88 55.202 16.435 -9.959 1.00 0.00 C ATOM 1399 NZ LYS A 88 54.003 17.290 -10.184 1.00 0.00 N ATOM 0 H LYS A 88 56.512 12.304 -13.334 1.00 0.00 H new ATOM 0 HA LYS A 88 57.666 12.406 -10.530 1.00 0.00 H new ATOM 0 HB2 LYS A 88 56.547 14.529 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 88 55.066 13.595 -11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 88 55.435 13.107 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 88 56.651 14.368 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 88 53.796 14.805 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 88 54.269 15.127 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 88 55.848 16.855 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 88 55.802 16.349 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 54.305 18.241 -10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 53.411 16.869 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 53.455 17.358 -9.303 1.00 0.00 H new ATOM 1413 N ASN A 89 56.242 10.537 -9.798 1.00 0.00 N ATOM 1414 CA ASN A 89 55.446 9.333 -9.410 1.00 0.00 C ATOM 1415 C ASN A 89 54.528 9.663 -8.228 1.00 0.00 C ATOM 1416 O ASN A 89 54.988 9.938 -7.135 1.00 0.00 O ATOM 1417 CB ASN A 89 56.483 8.285 -9.007 1.00 0.00 C ATOM 1418 CG ASN A 89 55.813 6.912 -8.911 1.00 0.00 C ATOM 1419 OD1 ASN A 89 55.218 6.447 -9.863 1.00 0.00 O ATOM 1420 ND2 ASN A 89 55.885 6.241 -7.794 1.00 0.00 N ATOM 0 H ASN A 89 56.994 10.782 -9.154 1.00 0.00 H new ATOM 0 HA ASN A 89 54.806 8.983 -10.220 1.00 0.00 H new ATOM 0 HB2 ASN A 89 57.290 8.257 -9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 89 56.930 8.551 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 89 55.442 5.325 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 89 56.385 6.632 -6.995 1.00 0.00 H new ATOM 1427 N LYS A 90 53.236 9.636 -8.445 1.00 0.00 N ATOM 1428 CA LYS A 90 52.275 9.944 -7.340 1.00 0.00 C ATOM 1429 C LYS A 90 51.672 8.650 -6.779 1.00 0.00 C ATOM 1430 O LYS A 90 50.549 8.636 -6.308 1.00 0.00 O ATOM 1431 CB LYS A 90 51.186 10.804 -7.987 1.00 0.00 C ATOM 1432 CG LYS A 90 51.781 12.146 -8.420 1.00 0.00 C ATOM 1433 CD LYS A 90 50.667 13.050 -8.953 1.00 0.00 C ATOM 1434 CE LYS A 90 51.277 14.333 -9.522 1.00 0.00 C ATOM 1435 NZ LYS A 90 51.669 13.986 -10.916 1.00 0.00 N ATOM 0 H LYS A 90 52.804 9.413 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 90 52.759 10.455 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 90 50.764 10.287 -8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 90 50.370 10.967 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 90 52.279 12.624 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 90 52.537 11.989 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 90 50.101 12.530 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 90 49.967 13.291 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 90 50.559 15.153 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 90 52.139 14.653 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 52.002 14.841 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 52.432 13.279 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 50.848 13.595 -11.421 1.00 0.00 H new ATOM 1449 N TRP A 91 52.411 7.567 -6.826 1.00 0.00 N ATOM 1450 CA TRP A 91 51.882 6.264 -6.317 1.00 0.00 C ATOM 1451 C TRP A 91 52.438 5.977 -4.919 1.00 0.00 C ATOM 1452 O TRP A 91 53.636 5.858 -4.734 1.00 0.00 O ATOM 1453 CB TRP A 91 52.376 5.222 -7.320 1.00 0.00 C ATOM 1454 CG TRP A 91 51.879 3.838 -7.041 1.00 0.00 C ATOM 1455 CD1 TRP A 91 50.581 3.453 -7.098 1.00 0.00 C ATOM 1456 CD2 TRP A 91 52.643 2.656 -6.666 1.00 0.00 C ATOM 1457 NE1 TRP A 91 50.496 2.107 -6.781 1.00 0.00 N ATOM 1458 CE2 TRP A 91 51.735 1.565 -6.507 1.00 0.00 C ATOM 1459 CE3 TRP A 91 54.028 2.417 -6.449 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 52.184 0.277 -6.144 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 54.484 1.123 -6.083 1.00 0.00 C ATOM 1462 CH2 TRP A 91 53.564 0.056 -5.930 1.00 0.00 C ATOM 0 H TRP A 91 53.361 7.531 -7.196 1.00 0.00 H new ATOM 0 HA TRP A 91 50.796 6.262 -6.229 1.00 0.00 H new ATOM 0 HB2 TRP A 91 52.062 5.517 -8.321 1.00 0.00 H new ATOM 0 HB3 TRP A 91 53.466 5.215 -7.317 1.00 0.00 H new ATOM 0 HD1 TRP A 91 49.748 4.092 -7.350 1.00 0.00 H new ATOM 0 HE1 TRP A 91 49.623 1.580 -6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 91 54.737 3.224 -6.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 51.479 -0.533 -6.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 55.538 0.951 -5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 91 53.917 -0.926 -5.650 1.00 0.00 H new ATOM 1473 N SER A 92 51.575 5.865 -3.938 1.00 0.00 N ATOM 1474 CA SER A 92 52.039 5.587 -2.544 1.00 0.00 C ATOM 1475 C SER A 92 51.257 4.412 -1.949 1.00 0.00 C ATOM 1476 O SER A 92 50.111 4.183 -2.290 1.00 0.00 O ATOM 1477 CB SER A 92 51.748 6.871 -1.767 1.00 0.00 C ATOM 1478 OG SER A 92 52.436 7.955 -2.377 1.00 0.00 O ATOM 0 H SER A 92 50.565 5.955 -4.045 1.00 0.00 H new ATOM 0 HA SER A 92 53.094 5.317 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 92 50.676 7.067 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 92 52.065 6.762 -0.730 1.00 0.00 H new ATOM 0 HG SER A 92 52.250 8.780 -1.882 1.00 0.00 H new ATOM 1484 N MET A 93 51.873 3.666 -1.062 1.00 0.00 N ATOM 1485 CA MET A 93 51.176 2.505 -0.427 1.00 0.00 C ATOM 1486 C MET A 93 51.228 2.625 1.098 1.00 0.00 C ATOM 1487 O MET A 93 52.103 3.269 1.648 1.00 0.00 O ATOM 1488 CB MET A 93 51.954 1.274 -0.895 1.00 0.00 C ATOM 1489 CG MET A 93 51.674 1.025 -2.379 1.00 0.00 C ATOM 1490 SD MET A 93 50.007 0.344 -2.571 1.00 0.00 S ATOM 1491 CE MET A 93 49.647 1.073 -4.186 1.00 0.00 C ATOM 0 H MET A 93 52.833 3.813 -0.750 1.00 0.00 H new ATOM 0 HA MET A 93 50.123 2.453 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 93 53.022 1.424 -0.736 1.00 0.00 H new ATOM 0 HB3 MET A 93 51.663 0.403 -0.308 1.00 0.00 H new ATOM 0 HG2 MET A 93 51.765 1.956 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 93 52.411 0.334 -2.788 1.00 0.00 H new ATOM 0 HE1 MET A 93 48.612 1.414 -4.209 1.00 0.00 H new ATOM 0 HE2 MET A 93 50.312 1.919 -4.360 1.00 0.00 H new ATOM 0 HE3 MET A 93 49.800 0.326 -4.965 1.00 0.00 H new ATOM 1501 N ASP A 94 50.295 2.008 1.782 1.00 0.00 N ATOM 1502 CA ASP A 94 50.279 2.073 3.277 1.00 0.00 C ATOM 1503 C ASP A 94 51.074 0.903 3.865 1.00 0.00 C ATOM 1504 O ASP A 94 50.908 -0.233 3.462 1.00 0.00 O ATOM 1505 CB ASP A 94 48.802 1.970 3.667 1.00 0.00 C ATOM 1506 CG ASP A 94 48.646 2.252 5.163 1.00 0.00 C ATOM 1507 OD1 ASP A 94 48.717 1.310 5.934 1.00 0.00 O ATOM 1508 OD2 ASP A 94 48.460 3.407 5.512 1.00 0.00 O ATOM 0 H ASP A 94 49.541 1.460 1.367 1.00 0.00 H new ATOM 0 HA ASP A 94 50.734 2.989 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 94 48.212 2.681 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 94 48.422 0.976 3.432 1.00 0.00 H new ATOM 1513 N CYS A 95 51.934 1.178 4.816 1.00 0.00 N ATOM 1514 CA CYS A 95 52.747 0.091 5.442 1.00 0.00 C ATOM 1515 C CYS A 95 52.226 -0.214 6.850 1.00 0.00 C ATOM 1516 O CYS A 95 51.582 0.610 7.472 1.00 0.00 O ATOM 1517 CB CYS A 95 54.170 0.647 5.506 1.00 0.00 C ATOM 1518 SG CYS A 95 54.964 0.465 3.889 1.00 0.00 S ATOM 0 H CYS A 95 52.108 2.113 5.186 1.00 0.00 H new ATOM 0 HA CYS A 95 52.698 -0.839 4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 95 54.148 1.697 5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 95 54.744 0.118 6.266 1.00 0.00 H new ATOM 0 HG CYS A 95 56.173 0.940 3.943 1.00 0.00 H new ATOM 1524 N ASP A 96 52.505 -1.395 7.354 1.00 0.00 N ATOM 1525 CA ASP A 96 52.021 -1.772 8.724 1.00 0.00 C ATOM 1526 C ASP A 96 52.660 -0.869 9.785 1.00 0.00 C ATOM 1527 O ASP A 96 52.020 -0.483 10.746 1.00 0.00 O ATOM 1528 CB ASP A 96 52.461 -3.225 8.926 1.00 0.00 C ATOM 1529 CG ASP A 96 51.793 -3.794 10.180 1.00 0.00 C ATOM 1530 OD1 ASP A 96 50.607 -3.562 10.355 1.00 0.00 O ATOM 1531 OD2 ASP A 96 52.478 -4.453 10.945 1.00 0.00 O ATOM 0 H ASP A 96 53.047 -2.115 6.876 1.00 0.00 H new ATOM 0 HA ASP A 96 50.941 -1.658 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 96 52.191 -3.822 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 96 53.545 -3.277 9.024 1.00 0.00 H new ATOM 1536 N GLU A 97 53.916 -0.533 9.614 1.00 0.00 N ATOM 1537 CA GLU A 97 54.605 0.358 10.598 1.00 0.00 C ATOM 1538 C GLU A 97 55.032 1.663 9.921 1.00 0.00 C ATOM 1539 O GLU A 97 55.532 1.659 8.811 1.00 0.00 O ATOM 1540 CB GLU A 97 55.832 -0.432 11.060 1.00 0.00 C ATOM 1541 CG GLU A 97 55.384 -1.666 11.846 1.00 0.00 C ATOM 1542 CD GLU A 97 56.613 -2.408 12.375 1.00 0.00 C ATOM 1543 OE1 GLU A 97 57.267 -3.069 11.587 1.00 0.00 O ATOM 1544 OE2 GLU A 97 56.877 -2.303 13.562 1.00 0.00 O ATOM 0 H GLU A 97 54.495 -0.839 8.832 1.00 0.00 H new ATOM 0 HA GLU A 97 53.958 0.629 11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.428 -0.734 10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 97 56.468 0.197 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.741 -1.369 12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.796 -2.324 11.206 1.00 0.00 H new ATOM 1551 N GLU A 98 54.837 2.778 10.584 1.00 0.00 N ATOM 1552 CA GLU A 98 55.232 4.094 9.985 1.00 0.00 C ATOM 1553 C GLU A 98 56.759 4.200 9.908 1.00 0.00 C ATOM 1554 O GLU A 98 57.306 4.676 8.929 1.00 0.00 O ATOM 1555 CB GLU A 98 54.667 5.157 10.932 1.00 0.00 C ATOM 1556 CG GLU A 98 54.833 6.544 10.303 1.00 0.00 C ATOM 1557 CD GLU A 98 54.385 7.616 11.300 1.00 0.00 C ATOM 1558 OE1 GLU A 98 54.727 7.497 12.464 1.00 0.00 O ATOM 1559 OE2 GLU A 98 53.707 8.539 10.879 1.00 0.00 O ATOM 0 H GLU A 98 54.422 2.834 11.514 1.00 0.00 H new ATOM 0 HA GLU A 98 54.851 4.214 8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 98 53.613 4.960 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 98 55.184 5.117 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 98 55.874 6.705 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 98 54.243 6.613 9.389 1.00 0.00 H new ATOM 1566 N PHE A 99 57.446 3.760 10.935 1.00 0.00 N ATOM 1567 CA PHE A 99 58.940 3.826 10.934 1.00 0.00 C ATOM 1568 C PHE A 99 59.533 2.413 10.939 1.00 0.00 C ATOM 1569 O PHE A 99 59.147 1.574 11.733 1.00 0.00 O ATOM 1570 CB PHE A 99 59.302 4.564 12.222 1.00 0.00 C ATOM 1571 CG PHE A 99 60.767 4.920 12.323 1.00 0.00 C ATOM 1572 CD1 PHE A 99 61.261 6.076 11.673 1.00 0.00 C ATOM 1573 CD2 PHE A 99 61.646 4.096 13.069 1.00 0.00 C ATOM 1574 CE1 PHE A 99 62.634 6.410 11.768 1.00 0.00 C ATOM 1575 CE2 PHE A 99 63.019 4.430 13.164 1.00 0.00 C ATOM 1576 CZ PHE A 99 63.512 5.587 12.513 1.00 0.00 C ATOM 0 H PHE A 99 57.034 3.357 11.776 1.00 0.00 H new ATOM 0 HA PHE A 99 59.331 4.330 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 99 58.709 5.477 12.287 1.00 0.00 H new ATOM 0 HB3 PHE A 99 59.027 3.944 13.076 1.00 0.00 H new ATOM 0 HD1 PHE A 99 60.591 6.704 11.104 1.00 0.00 H new ATOM 0 HD2 PHE A 99 61.269 3.214 13.565 1.00 0.00 H new ATOM 0 HE1 PHE A 99 63.011 7.292 11.272 1.00 0.00 H new ATOM 0 HE2 PHE A 99 63.690 3.803 13.733 1.00 0.00 H new ATOM 0 HZ PHE A 99 64.559 5.842 12.585 1.00 0.00 H new ATOM 1586 N ASP A 100 60.465 2.149 10.056 1.00 0.00 N ATOM 1587 CA ASP A 100 61.092 0.792 9.998 1.00 0.00 C ATOM 1588 C ASP A 100 62.343 0.750 10.882 1.00 0.00 C ATOM 1589 O ASP A 100 63.296 1.471 10.652 1.00 0.00 O ATOM 1590 CB ASP A 100 61.463 0.585 8.527 1.00 0.00 C ATOM 1591 CG ASP A 100 61.920 -0.860 8.311 1.00 0.00 C ATOM 1592 OD1 ASP A 100 63.118 -1.091 8.334 1.00 0.00 O ATOM 1593 OD2 ASP A 100 61.065 -1.710 8.126 1.00 0.00 O ATOM 0 H ASP A 100 60.819 2.817 9.371 1.00 0.00 H new ATOM 0 HA ASP A 100 60.422 0.012 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 100 60.606 0.805 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 100 62.257 1.275 8.241 1.00 0.00 H new ATOM 1598 N PHE A 101 62.343 -0.091 11.888 1.00 0.00 N ATOM 1599 CA PHE A 101 63.529 -0.191 12.794 1.00 0.00 C ATOM 1600 C PHE A 101 63.503 -1.522 13.555 1.00 0.00 C ATOM 1601 O PHE A 101 63.922 -1.600 14.695 1.00 0.00 O ATOM 1602 CB PHE A 101 63.389 0.987 13.758 1.00 0.00 C ATOM 1603 CG PHE A 101 64.620 1.227 14.600 1.00 0.00 C ATOM 1604 CD1 PHE A 101 64.649 0.805 15.951 1.00 0.00 C ATOM 1605 CD2 PHE A 101 65.747 1.875 14.037 1.00 0.00 C ATOM 1606 CE1 PHE A 101 65.803 1.031 16.740 1.00 0.00 C ATOM 1607 CE2 PHE A 101 66.901 2.102 14.825 1.00 0.00 C ATOM 1608 CZ PHE A 101 66.929 1.679 16.176 1.00 0.00 C ATOM 0 H PHE A 101 61.570 -0.714 12.121 1.00 0.00 H new ATOM 0 HA PHE A 101 64.472 -0.159 12.249 1.00 0.00 H new ATOM 0 HB2 PHE A 101 63.168 1.889 13.187 1.00 0.00 H new ATOM 0 HB3 PHE A 101 62.538 0.809 14.415 1.00 0.00 H new ATOM 0 HD1 PHE A 101 63.790 0.310 16.380 1.00 0.00 H new ATOM 0 HD2 PHE A 101 65.726 2.196 13.006 1.00 0.00 H new ATOM 0 HE1 PHE A 101 65.824 0.710 17.771 1.00 0.00 H new ATOM 0 HE2 PHE A 101 67.759 2.597 14.396 1.00 0.00 H new ATOM 0 HZ PHE A 101 67.810 1.851 16.777 1.00 0.00 H new ATOM 1618 N ALA A 102 63.013 -2.564 12.928 1.00 0.00 N ATOM 1619 CA ALA A 102 62.948 -3.895 13.607 1.00 0.00 C ATOM 1620 C ALA A 102 64.052 -4.814 13.075 1.00 0.00 C ATOM 1621 O ALA A 102 64.444 -4.723 11.926 1.00 0.00 O ATOM 1622 CB ALA A 102 61.570 -4.453 13.253 1.00 0.00 C ATOM 0 H ALA A 102 62.655 -2.549 11.973 1.00 0.00 H new ATOM 0 HA ALA A 102 63.091 -3.817 14.685 1.00 0.00 H new ATOM 0 HB1 ALA A 102 61.444 -5.432 13.715 1.00 0.00 H new ATOM 0 HB2 ALA A 102 60.798 -3.776 13.620 1.00 0.00 H new ATOM 0 HB3 ALA A 102 61.483 -4.549 12.171 1.00 0.00 H new ATOM 1628 N ALA A 103 64.552 -5.696 13.906 1.00 0.00 N ATOM 1629 CA ALA A 103 65.633 -6.629 13.463 1.00 0.00 C ATOM 1630 C ALA A 103 65.038 -7.995 13.107 1.00 0.00 C ATOM 1631 O ALA A 103 64.093 -8.448 13.727 1.00 0.00 O ATOM 1632 CB ALA A 103 66.570 -6.749 14.665 1.00 0.00 C ATOM 0 H ALA A 103 64.256 -5.810 14.876 1.00 0.00 H new ATOM 0 HA ALA A 103 66.153 -6.268 12.576 1.00 0.00 H new ATOM 0 HB1 ALA A 103 67.393 -7.420 14.419 1.00 0.00 H new ATOM 0 HB2 ALA A 103 66.966 -5.765 14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 103 66.019 -7.148 15.517 1.00 0.00 H new ATOM 1638 N ASN A 104 65.588 -8.651 12.112 1.00 0.00 N ATOM 1639 CA ASN A 104 65.056 -9.991 11.698 1.00 0.00 C ATOM 1640 C ASN A 104 65.255 -11.016 12.821 1.00 0.00 C ATOM 1641 O ASN A 104 64.429 -11.887 13.028 1.00 0.00 O ATOM 1642 CB ASN A 104 65.871 -10.391 10.463 1.00 0.00 C ATOM 1643 CG ASN A 104 65.558 -9.434 9.311 1.00 0.00 C ATOM 1644 OD1 ASN A 104 66.453 -8.872 8.713 1.00 0.00 O ATOM 1645 ND2 ASN A 104 64.316 -9.225 8.970 1.00 0.00 N ATOM 0 H ASN A 104 66.383 -8.317 11.568 1.00 0.00 H new ATOM 0 HA ASN A 104 63.988 -9.953 11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 104 66.936 -10.364 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 104 65.634 -11.415 10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 104 64.098 -8.590 8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 104 63.563 -9.696 9.471 1.00 0.00 H new ATOM 1652 N LEU A 105 66.343 -10.913 13.543 1.00 0.00 N ATOM 1653 CA LEU A 105 66.607 -11.874 14.659 1.00 0.00 C ATOM 1654 C LEU A 105 66.230 -11.241 16.001 1.00 0.00 C ATOM 1655 O LEU A 105 66.494 -10.079 16.243 1.00 0.00 O ATOM 1656 CB LEU A 105 68.112 -12.153 14.602 1.00 0.00 C ATOM 1657 CG LEU A 105 68.457 -12.873 13.295 1.00 0.00 C ATOM 1658 CD1 LEU A 105 69.976 -12.906 13.117 1.00 0.00 C ATOM 1659 CD2 LEU A 105 67.921 -14.306 13.343 1.00 0.00 C ATOM 0 H LEU A 105 67.062 -10.203 13.407 1.00 0.00 H new ATOM 0 HA LEU A 105 66.021 -12.788 14.561 1.00 0.00 H new ATOM 0 HB2 LEU A 105 68.667 -11.218 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 105 68.410 -12.764 15.454 1.00 0.00 H new ATOM 0 HG LEU A 105 68.002 -12.342 12.459 1.00 0.00 H new ATOM 0 HD11 LEU A 105 70.222 -13.418 12.187 1.00 0.00 H new ATOM 0 HD12 LEU A 105 70.361 -11.887 13.083 1.00 0.00 H new ATOM 0 HD13 LEU A 105 70.429 -13.437 13.954 1.00 0.00 H new ATOM 0 HD21 LEU A 105 68.167 -14.818 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 105 68.375 -14.836 14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 105 66.839 -14.286 13.471 1.00 0.00 H new ATOM 1671 N GLU A 106 65.613 -12.003 16.873 1.00 0.00 N ATOM 1672 CA GLU A 106 65.214 -11.460 18.208 1.00 0.00 C ATOM 1673 C GLU A 106 66.056 -12.105 19.313 1.00 0.00 C ATOM 1674 O GLU A 106 66.394 -13.273 19.242 1.00 0.00 O ATOM 1675 CB GLU A 106 63.740 -11.835 18.368 1.00 0.00 C ATOM 1676 CG GLU A 106 62.900 -11.074 17.338 1.00 0.00 C ATOM 1677 CD GLU A 106 61.412 -11.369 17.559 1.00 0.00 C ATOM 1678 OE1 GLU A 106 60.618 -10.461 17.380 1.00 0.00 O ATOM 1679 OE2 GLU A 106 61.092 -12.498 17.896 1.00 0.00 O ATOM 0 H GLU A 106 65.368 -12.981 16.716 1.00 0.00 H new ATOM 0 HA GLU A 106 65.368 -10.383 18.278 1.00 0.00 H new ATOM 0 HB2 GLU A 106 63.611 -12.909 18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 106 63.401 -11.596 19.376 1.00 0.00 H new ATOM 0 HG2 GLU A 106 63.084 -10.003 17.425 1.00 0.00 H new ATOM 0 HG3 GLU A 106 63.192 -11.367 16.330 1.00 0.00 H new ATOM 1686 N LYS A 107 66.391 -11.352 20.332 1.00 0.00 N ATOM 1687 CA LYS A 107 67.209 -11.910 21.453 1.00 0.00 C ATOM 1688 C LYS A 107 66.718 -11.360 22.799 1.00 0.00 C ATOM 1689 O LYS A 107 65.677 -10.734 22.877 1.00 0.00 O ATOM 1690 CB LYS A 107 68.653 -11.466 21.165 1.00 0.00 C ATOM 1691 CG LYS A 107 68.752 -9.935 21.140 1.00 0.00 C ATOM 1692 CD LYS A 107 70.167 -9.521 20.730 1.00 0.00 C ATOM 1693 CE LYS A 107 70.362 -8.028 21.001 1.00 0.00 C ATOM 1694 NZ LYS A 107 70.726 -7.944 22.443 1.00 0.00 N ATOM 0 H LYS A 107 66.132 -10.371 20.436 1.00 0.00 H new ATOM 0 HA LYS A 107 67.132 -12.995 21.517 1.00 0.00 H new ATOM 0 HB2 LYS A 107 69.321 -11.867 21.927 1.00 0.00 H new ATOM 0 HB3 LYS A 107 68.980 -11.873 20.208 1.00 0.00 H new ATOM 0 HG2 LYS A 107 68.024 -9.524 20.440 1.00 0.00 H new ATOM 0 HG3 LYS A 107 68.513 -9.529 22.123 1.00 0.00 H new ATOM 0 HD2 LYS A 107 70.903 -10.101 21.287 1.00 0.00 H new ATOM 0 HD3 LYS A 107 70.327 -9.733 19.673 1.00 0.00 H new ATOM 0 HE2 LYS A 107 71.147 -7.611 20.370 1.00 0.00 H new ATOM 0 HE3 LYS A 107 69.452 -7.466 20.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 70.320 -7.079 22.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 70.351 -8.774 22.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 71.761 -7.920 22.539 1.00 0.00 H new ATOM 1708 N PHE A 108 67.464 -11.591 23.852 1.00 0.00 N ATOM 1709 CA PHE A 108 67.053 -11.089 25.198 1.00 0.00 C ATOM 1710 C PHE A 108 67.902 -9.877 25.593 1.00 0.00 C ATOM 1711 O PHE A 108 69.087 -9.826 25.320 1.00 0.00 O ATOM 1712 CB PHE A 108 67.310 -12.256 26.151 1.00 0.00 C ATOM 1713 CG PHE A 108 66.470 -13.475 25.852 1.00 0.00 C ATOM 1714 CD1 PHE A 108 65.155 -13.574 26.370 1.00 0.00 C ATOM 1715 CD2 PHE A 108 66.997 -14.520 25.054 1.00 0.00 C ATOM 1716 CE1 PHE A 108 64.367 -14.717 26.090 1.00 0.00 C ATOM 1717 CE2 PHE A 108 66.209 -15.663 24.774 1.00 0.00 C ATOM 1718 CZ PHE A 108 64.894 -15.762 25.292 1.00 0.00 C ATOM 0 H PHE A 108 68.343 -12.108 23.836 1.00 0.00 H new ATOM 0 HA PHE A 108 66.012 -10.767 25.218 1.00 0.00 H new ATOM 0 HB2 PHE A 108 68.364 -12.530 26.101 1.00 0.00 H new ATOM 0 HB3 PHE A 108 67.113 -11.931 27.172 1.00 0.00 H new ATOM 0 HD1 PHE A 108 64.753 -12.777 26.979 1.00 0.00 H new ATOM 0 HD2 PHE A 108 67.999 -14.445 24.659 1.00 0.00 H new ATOM 0 HE1 PHE A 108 63.365 -14.792 26.485 1.00 0.00 H new ATOM 0 HE2 PHE A 108 66.611 -16.460 24.165 1.00 0.00 H new ATOM 0 HZ PHE A 108 64.294 -16.634 25.079 1.00 0.00 H new ATOM 1728 N ASP A 109 67.300 -8.904 26.233 1.00 0.00 N ATOM 1729 CA ASP A 109 68.063 -7.686 26.653 1.00 0.00 C ATOM 1730 C ASP A 109 68.806 -7.956 27.964 1.00 0.00 C ATOM 1731 O ASP A 109 68.214 -8.361 28.947 1.00 0.00 O ATOM 1732 CB ASP A 109 67.007 -6.594 26.848 1.00 0.00 C ATOM 1733 CG ASP A 109 67.695 -5.235 27.001 1.00 0.00 C ATOM 1734 OD1 ASP A 109 67.232 -4.287 26.386 1.00 0.00 O ATOM 1735 OD2 ASP A 109 68.670 -5.163 27.730 1.00 0.00 O ATOM 0 H ASP A 109 66.311 -8.901 26.483 1.00 0.00 H new ATOM 0 HA ASP A 109 68.811 -7.396 25.916 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.328 -6.575 25.996 1.00 0.00 H new ATOM 0 HB3 ASP A 109 66.405 -6.810 27.731 1.00 0.00 H new ATOM 1740 N LYS A 110 70.098 -7.734 27.980 1.00 0.00 N ATOM 1741 CA LYS A 110 70.900 -7.999 29.218 1.00 0.00 C ATOM 1742 C LYS A 110 71.804 -6.801 29.536 1.00 0.00 C ATOM 1743 O LYS A 110 72.256 -6.102 28.648 1.00 0.00 O ATOM 1744 CB LYS A 110 71.732 -9.254 28.905 1.00 0.00 C ATOM 1745 CG LYS A 110 72.652 -9.006 27.699 1.00 0.00 C ATOM 1746 CD LYS A 110 73.408 -10.292 27.360 1.00 0.00 C ATOM 1747 CE LYS A 110 74.502 -9.985 26.334 1.00 0.00 C ATOM 1748 NZ LYS A 110 75.433 -11.146 26.408 1.00 0.00 N ATOM 0 H LYS A 110 70.634 -7.380 27.188 1.00 0.00 H new ATOM 0 HA LYS A 110 70.267 -8.150 30.093 1.00 0.00 H new ATOM 0 HB2 LYS A 110 72.329 -9.527 29.775 1.00 0.00 H new ATOM 0 HB3 LYS A 110 71.069 -10.094 28.697 1.00 0.00 H new ATOM 0 HG2 LYS A 110 72.064 -8.680 26.841 1.00 0.00 H new ATOM 0 HG3 LYS A 110 73.357 -8.206 27.925 1.00 0.00 H new ATOM 0 HD2 LYS A 110 73.849 -10.716 28.262 1.00 0.00 H new ATOM 0 HD3 LYS A 110 72.719 -11.037 26.962 1.00 0.00 H new ATOM 0 HE2 LYS A 110 74.085 -9.876 25.333 1.00 0.00 H new ATOM 0 HE3 LYS A 110 75.014 -9.052 26.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 76.212 -11.010 25.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 75.819 -11.221 27.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 74.919 -12.019 26.172 1.00 0.00 H new ATOM 1762 N LYS A 111 72.066 -6.566 30.799 1.00 0.00 N ATOM 1763 CA LYS A 111 72.949 -5.426 31.193 1.00 0.00 C ATOM 1764 C LYS A 111 74.346 -5.944 31.552 1.00 0.00 C ATOM 1765 O LYS A 111 74.984 -5.456 32.467 1.00 0.00 O ATOM 1766 CB LYS A 111 72.269 -4.806 32.416 1.00 0.00 C ATOM 1767 CG LYS A 111 72.834 -3.405 32.661 1.00 0.00 C ATOM 1768 CD LYS A 111 72.195 -2.809 33.918 1.00 0.00 C ATOM 1769 CE LYS A 111 72.630 -1.350 34.070 1.00 0.00 C ATOM 1770 NZ LYS A 111 73.997 -1.416 34.658 1.00 0.00 N ATOM 0 H LYS A 111 71.704 -7.118 31.577 1.00 0.00 H new ATOM 0 HA LYS A 111 73.078 -4.700 30.390 1.00 0.00 H new ATOM 0 HB2 LYS A 111 71.192 -4.752 32.258 1.00 0.00 H new ATOM 0 HB3 LYS A 111 72.432 -5.433 33.292 1.00 0.00 H new ATOM 0 HG2 LYS A 111 73.917 -3.453 32.779 1.00 0.00 H new ATOM 0 HG3 LYS A 111 72.635 -2.766 31.801 1.00 0.00 H new ATOM 0 HD2 LYS A 111 71.109 -2.870 33.851 1.00 0.00 H new ATOM 0 HD3 LYS A 111 72.493 -3.382 34.796 1.00 0.00 H new ATOM 0 HE2 LYS A 111 72.638 -0.838 33.108 1.00 0.00 H new ATOM 0 HE3 LYS A 111 71.948 -0.800 34.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 73.982 -1.014 35.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.308 -2.407 34.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 74.657 -0.873 34.065 1.00 0.00 H new ATOM 1784 N GLN A 112 74.827 -6.936 30.829 1.00 0.00 N ATOM 1785 CA GLN A 112 76.180 -7.530 31.114 1.00 0.00 C ATOM 1786 C GLN A 112 76.305 -7.931 32.591 1.00 0.00 C ATOM 1787 O GLN A 112 75.345 -7.880 33.337 1.00 0.00 O ATOM 1788 CB GLN A 112 77.196 -6.435 30.766 1.00 0.00 C ATOM 1789 CG GLN A 112 77.155 -6.157 29.262 1.00 0.00 C ATOM 1790 CD GLN A 112 78.245 -5.146 28.899 1.00 0.00 C ATOM 1791 OE1 GLN A 112 79.400 -5.500 28.776 1.00 0.00 O ATOM 1792 NE2 GLN A 112 77.923 -3.894 28.722 1.00 0.00 N ATOM 0 H GLN A 112 74.334 -7.363 30.045 1.00 0.00 H new ATOM 0 HA GLN A 112 76.346 -8.436 30.531 1.00 0.00 H new ATOM 0 HB2 GLN A 112 76.969 -5.525 31.321 1.00 0.00 H new ATOM 0 HB3 GLN A 112 78.198 -6.747 31.061 1.00 0.00 H new ATOM 0 HG2 GLN A 112 77.303 -7.083 28.706 1.00 0.00 H new ATOM 0 HG3 GLN A 112 76.176 -5.769 28.980 1.00 0.00 H new ATOM 0 HE21 GLN A 112 76.953 -3.597 28.825 1.00 0.00 H new ATOM 0 HE22 GLN A 112 78.642 -3.212 28.480 1.00 0.00 H new ATOM 1801 N VAL A 113 77.483 -8.328 33.010 1.00 0.00 N ATOM 1802 CA VAL A 113 77.681 -8.752 34.435 1.00 0.00 C ATOM 1803 C VAL A 113 78.643 -7.795 35.151 1.00 0.00 C ATOM 1804 O VAL A 113 79.361 -8.189 36.053 1.00 0.00 O ATOM 1805 CB VAL A 113 78.269 -10.173 34.373 1.00 0.00 C ATOM 1806 CG1 VAL A 113 77.257 -11.119 33.722 1.00 0.00 C ATOM 1807 CG2 VAL A 113 79.568 -10.183 33.555 1.00 0.00 C ATOM 0 H VAL A 113 78.318 -8.377 32.426 1.00 0.00 H new ATOM 0 HA VAL A 113 76.745 -8.734 34.994 1.00 0.00 H new ATOM 0 HB VAL A 113 78.487 -10.503 35.389 1.00 0.00 H new ATOM 0 HG11 VAL A 113 77.675 -12.125 33.679 1.00 0.00 H new ATOM 0 HG12 VAL A 113 76.340 -11.132 34.311 1.00 0.00 H new ATOM 0 HG13 VAL A 113 77.035 -10.775 32.712 1.00 0.00 H new ATOM 0 HG21 VAL A 113 79.969 -11.196 33.522 1.00 0.00 H new ATOM 0 HG22 VAL A 113 79.362 -9.841 32.541 1.00 0.00 H new ATOM 0 HG23 VAL A 113 80.296 -9.519 34.021 1.00 0.00 H new ATOM 1817 N PHE A 114 78.662 -6.544 34.754 1.00 0.00 N ATOM 1818 CA PHE A 114 79.567 -5.554 35.412 1.00 0.00 C ATOM 1819 C PHE A 114 78.776 -4.685 36.393 1.00 0.00 C ATOM 1820 O PHE A 114 77.738 -4.145 36.054 1.00 0.00 O ATOM 1821 CB PHE A 114 80.124 -4.705 34.269 1.00 0.00 C ATOM 1822 CG PHE A 114 81.172 -3.712 34.712 1.00 0.00 C ATOM 1823 CD1 PHE A 114 80.804 -2.376 35.003 1.00 0.00 C ATOM 1824 CD2 PHE A 114 82.523 -4.118 34.835 1.00 0.00 C ATOM 1825 CE1 PHE A 114 81.788 -1.445 35.418 1.00 0.00 C ATOM 1826 CE2 PHE A 114 83.507 -3.187 35.251 1.00 0.00 C ATOM 1827 CZ PHE A 114 83.139 -1.850 35.543 1.00 0.00 C ATOM 0 H PHE A 114 78.087 -6.167 34.000 1.00 0.00 H new ATOM 0 HA PHE A 114 80.360 -6.035 35.984 1.00 0.00 H new ATOM 0 HB2 PHE A 114 80.554 -5.363 33.514 1.00 0.00 H new ATOM 0 HB3 PHE A 114 79.304 -4.168 33.793 1.00 0.00 H new ATOM 0 HD1 PHE A 114 79.774 -2.067 34.909 1.00 0.00 H new ATOM 0 HD2 PHE A 114 82.803 -5.137 34.612 1.00 0.00 H new ATOM 0 HE1 PHE A 114 81.507 -0.426 35.639 1.00 0.00 H new ATOM 0 HE2 PHE A 114 84.537 -3.496 35.346 1.00 0.00 H new ATOM 0 HZ PHE A 114 83.889 -1.140 35.861 1.00 0.00 H new ATOM 1837 N ALA A 115 79.261 -4.548 37.603 1.00 0.00 N ATOM 1838 CA ALA A 115 78.536 -3.721 38.619 1.00 0.00 C ATOM 1839 C ALA A 115 78.711 -2.231 38.310 1.00 0.00 C ATOM 1840 O ALA A 115 79.788 -1.785 37.959 1.00 0.00 O ATOM 1841 CB ALA A 115 79.182 -4.068 39.963 1.00 0.00 C ATOM 0 H ALA A 115 80.128 -4.973 37.932 1.00 0.00 H new ATOM 0 HA ALA A 115 77.465 -3.924 38.622 1.00 0.00 H new ATOM 0 HB1 ALA A 115 78.700 -3.497 40.757 1.00 0.00 H new ATOM 0 HB2 ALA A 115 79.064 -5.134 40.159 1.00 0.00 H new ATOM 0 HB3 ALA A 115 80.243 -3.820 39.931 1.00 0.00 H new ATOM 1847 N GLU A 116 77.656 -1.462 38.439 1.00 0.00 N ATOM 1848 CA GLU A 116 77.747 0.004 38.161 1.00 0.00 C ATOM 1849 C GLU A 116 77.706 0.791 39.474 1.00 0.00 C ATOM 1850 O GLU A 116 76.903 0.514 40.346 1.00 0.00 O ATOM 1851 CB GLU A 116 76.519 0.318 37.305 1.00 0.00 C ATOM 1852 CG GLU A 116 76.608 1.756 36.786 1.00 0.00 C ATOM 1853 CD GLU A 116 75.316 2.117 36.048 1.00 0.00 C ATOM 1854 OE1 GLU A 116 74.255 1.781 36.550 1.00 0.00 O ATOM 1855 OE2 GLU A 116 75.409 2.724 34.994 1.00 0.00 O ATOM 0 H GLU A 116 76.733 -1.789 38.726 1.00 0.00 H new ATOM 0 HA GLU A 116 78.674 0.276 37.657 1.00 0.00 H new ATOM 0 HB2 GLU A 116 76.459 -0.378 36.468 1.00 0.00 H new ATOM 0 HB3 GLU A 116 75.611 0.189 37.893 1.00 0.00 H new ATOM 0 HG2 GLU A 116 76.769 2.444 37.616 1.00 0.00 H new ATOM 0 HG3 GLU A 116 77.462 1.859 36.117 1.00 0.00 H new ATOM 1862 N PHE A 117 78.567 1.770 39.617 1.00 0.00 N ATOM 1863 CA PHE A 117 78.586 2.585 40.871 1.00 0.00 C ATOM 1864 C PHE A 117 78.042 3.989 40.597 1.00 0.00 C ATOM 1865 O PHE A 117 78.748 4.850 40.102 1.00 0.00 O ATOM 1866 CB PHE A 117 80.058 2.652 41.276 1.00 0.00 C ATOM 1867 CG PHE A 117 80.658 1.303 41.597 1.00 0.00 C ATOM 1868 CD1 PHE A 117 81.352 0.580 40.596 1.00 0.00 C ATOM 1869 CD2 PHE A 117 80.528 0.763 42.899 1.00 0.00 C ATOM 1870 CE1 PHE A 117 81.916 -0.684 40.898 1.00 0.00 C ATOM 1871 CE2 PHE A 117 81.091 -0.502 43.200 1.00 0.00 C ATOM 1872 CZ PHE A 117 81.784 -1.225 42.199 1.00 0.00 C ATOM 0 H PHE A 117 79.258 2.040 38.917 1.00 0.00 H new ATOM 0 HA PHE A 117 77.966 2.151 41.655 1.00 0.00 H new ATOM 0 HB2 PHE A 117 80.628 3.111 40.468 1.00 0.00 H new ATOM 0 HB3 PHE A 117 80.158 3.301 42.146 1.00 0.00 H new ATOM 0 HD1 PHE A 117 81.451 0.992 39.603 1.00 0.00 H new ATOM 0 HD2 PHE A 117 80.000 1.315 43.663 1.00 0.00 H new ATOM 0 HE1 PHE A 117 82.447 -1.235 40.135 1.00 0.00 H new ATOM 0 HE2 PHE A 117 80.992 -0.915 44.193 1.00 0.00 H new ATOM 0 HZ PHE A 117 82.212 -2.190 42.428 1.00 0.00 H new ATOM 1882 N ARG A 118 76.792 4.223 40.915 1.00 0.00 N ATOM 1883 CA ARG A 118 76.194 5.577 40.696 1.00 0.00 C ATOM 1884 C ARG A 118 75.235 5.921 41.841 1.00 0.00 C ATOM 1885 O ARG A 118 74.402 5.119 42.222 1.00 0.00 O ATOM 1886 CB ARG A 118 75.433 5.468 39.374 1.00 0.00 C ATOM 1887 CG ARG A 118 76.426 5.291 38.223 1.00 0.00 C ATOM 1888 CD ARG A 118 75.674 5.324 36.889 1.00 0.00 C ATOM 1889 NE ARG A 118 75.194 6.736 36.738 1.00 0.00 N ATOM 1890 CZ ARG A 118 74.245 7.051 35.877 1.00 0.00 C ATOM 1891 NH1 ARG A 118 73.680 6.146 35.109 1.00 0.00 N ATOM 1892 NH2 ARG A 118 73.857 8.294 35.784 1.00 0.00 N ATOM 0 H ARG A 118 76.159 3.533 41.318 1.00 0.00 H new ATOM 0 HA ARG A 118 76.950 6.362 40.666 1.00 0.00 H new ATOM 0 HB2 ARG A 118 74.745 4.623 39.407 1.00 0.00 H new ATOM 0 HB3 ARG A 118 74.831 6.363 39.214 1.00 0.00 H new ATOM 0 HG2 ARG A 118 77.175 6.082 38.250 1.00 0.00 H new ATOM 0 HG3 ARG A 118 76.958 4.345 38.330 1.00 0.00 H new ATOM 0 HD2 ARG A 118 76.326 5.040 36.063 1.00 0.00 H new ATOM 0 HD3 ARG A 118 74.839 4.623 36.891 1.00 0.00 H new ATOM 0 HE ARG A 118 75.610 7.469 37.313 1.00 0.00 H new ATOM 0 HH11 ARG A 118 73.973 5.171 35.170 1.00 0.00 H new ATOM 0 HH12 ARG A 118 72.949 6.419 34.453 1.00 0.00 H new ATOM 0 HH21 ARG A 118 74.286 9.008 36.373 1.00 0.00 H new ATOM 0 HH22 ARG A 118 73.124 8.551 35.123 1.00 0.00 H new ATOM 1906 N GLU A 119 75.348 7.108 42.385 1.00 0.00 N ATOM 1907 CA GLU A 119 74.423 7.527 43.487 1.00 0.00 C ATOM 1908 C GLU A 119 73.006 7.721 42.938 1.00 0.00 C ATOM 1909 O GLU A 119 72.030 7.423 43.602 1.00 0.00 O ATOM 1910 CB GLU A 119 74.981 8.856 44.008 1.00 0.00 C ATOM 1911 CG GLU A 119 76.334 8.613 44.684 1.00 0.00 C ATOM 1912 CD GLU A 119 76.849 9.918 45.300 1.00 0.00 C ATOM 1913 OE1 GLU A 119 77.448 9.852 46.360 1.00 0.00 O ATOM 1914 OE2 GLU A 119 76.642 10.961 44.698 1.00 0.00 O ATOM 0 H GLU A 119 76.041 7.806 42.114 1.00 0.00 H new ATOM 0 HA GLU A 119 74.364 6.778 44.277 1.00 0.00 H new ATOM 0 HB2 GLU A 119 75.095 9.562 43.185 1.00 0.00 H new ATOM 0 HB3 GLU A 119 74.284 9.302 44.717 1.00 0.00 H new ATOM 0 HG2 GLU A 119 76.233 7.851 45.456 1.00 0.00 H new ATOM 0 HG3 GLU A 119 77.052 8.236 43.956 1.00 0.00 H new ATOM 1921 N LYS A 120 72.892 8.220 41.730 1.00 0.00 N ATOM 1922 CA LYS A 120 71.539 8.439 41.121 1.00 0.00 C ATOM 1923 C LYS A 120 70.840 7.097 40.882 1.00 0.00 C ATOM 1924 O LYS A 120 69.632 6.990 40.999 1.00 0.00 O ATOM 1925 CB LYS A 120 71.799 9.152 39.790 1.00 0.00 C ATOM 1926 CG LYS A 120 72.373 10.545 40.059 1.00 0.00 C ATOM 1927 CD LYS A 120 72.660 11.247 38.729 1.00 0.00 C ATOM 1928 CE LYS A 120 71.341 11.651 38.066 1.00 0.00 C ATOM 1929 NZ LYS A 120 71.667 12.870 37.272 1.00 0.00 N ATOM 0 H LYS A 120 73.679 8.486 41.138 1.00 0.00 H new ATOM 0 HA LYS A 120 70.891 9.025 41.772 1.00 0.00 H new ATOM 0 HB2 LYS A 120 72.495 8.571 39.184 1.00 0.00 H new ATOM 0 HB3 LYS A 120 70.872 9.233 39.222 1.00 0.00 H new ATOM 0 HG2 LYS A 120 71.668 11.133 40.647 1.00 0.00 H new ATOM 0 HG3 LYS A 120 73.289 10.465 40.645 1.00 0.00 H new ATOM 0 HD2 LYS A 120 73.279 12.128 38.898 1.00 0.00 H new ATOM 0 HD3 LYS A 120 73.222 10.585 38.070 1.00 0.00 H new ATOM 0 HE2 LYS A 120 70.960 10.854 37.427 1.00 0.00 H new ATOM 0 HE3 LYS A 120 70.572 11.858 38.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 70.811 13.208 36.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 72.021 13.614 37.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 72.396 12.640 36.567 1.00 0.00 H new ATOM 1943 N ASP A 121 71.592 6.077 40.547 1.00 0.00 N ATOM 1944 CA ASP A 121 70.985 4.735 40.297 1.00 0.00 C ATOM 1945 C ASP A 121 71.846 3.638 40.930 1.00 0.00 C ATOM 1946 O ASP A 121 71.314 2.880 41.725 1.00 0.00 O ATOM 1947 CB ASP A 121 70.963 4.585 38.773 1.00 0.00 C ATOM 1948 CG ASP A 121 69.986 5.598 38.170 1.00 0.00 C ATOM 1949 OD1 ASP A 121 68.914 5.768 38.729 1.00 0.00 O ATOM 1950 OD2 ASP A 121 70.326 6.188 37.157 1.00 0.00 O ATOM 1951 OXT ASP A 121 73.020 3.576 40.609 1.00 0.00 O ATOM 0 H ASP A 121 72.605 6.118 40.436 1.00 0.00 H new ATOM 0 HA ASP A 121 69.988 4.647 40.730 1.00 0.00 H new ATOM 0 HB2 ASP A 121 71.962 4.743 38.368 1.00 0.00 H new ATOM 0 HB3 ASP A 121 70.666 3.572 38.502 1.00 0.00 H new TER 1956 ASP A 121