USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 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 17 ASN : amide:sc= -0.723 K(o=0.39,f=-2.4!) USER MOD Set 1.2: A 19 SER OG : rot -127:sc= 1.11 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.232 (180deg=-1.33!) USER MOD Single : A 2 SER OG : rot 176:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 9 SER OG : rot -120:sc= -0.386! USER MOD Single : A -1 MET CE :methyl 126:sc= -0.119 (180deg=-0.789) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.165 K(o=-0.16,f=-3!) USER MOD Single : A 16 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -68:sc= 0.932 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 94:sc= 0.154 USER MOD Single : A 32 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.311 K(o=-0.31,f=-5!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 43 SER OG : rot 71:sc= 0.201 USER MOD Single : A 44 THR OG1 : rot -140:sc= -0.676 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 12:sc= 0.943 USER MOD Single : A 49 THR OG1 : rot -78:sc= 0.0934 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0932) USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 64 MET CE :methyl -163:sc= -0.0434 (180deg=-0.716) USER MOD Single : A 66 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0963) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0662) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -113:sc= 0.0165 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00977 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.191) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 0.729 (180deg=0.395) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -160:sc= -0.0327 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.012) USER MOD Single : A 92 SER OG : rot 180:sc= -0.02 USER MOD Single : A 93 MET CE :methyl -146:sc= -0.353 (180deg=-1.76!) USER MOD Single : A 95 CYS SG : rot -19:sc= 0.782 USER MOD Single : A 104 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0053) USER MOD Single : A 112 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.83) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 113.588 7.785 9.183 1.00 0.00 N ATOM 2 CA GLY A -3 113.946 8.468 7.906 1.00 0.00 C ATOM 3 C GLY A -3 113.180 9.787 7.800 1.00 0.00 C ATOM 4 O GLY A -3 112.476 10.028 6.835 1.00 0.00 O ATOM 0 H1 GLY A -3 114.109 6.888 9.255 1.00 0.00 H new ATOM 0 H2 GLY A -3 113.839 8.396 9.986 1.00 0.00 H new ATOM 0 H3 GLY A -3 112.566 7.594 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A -3 115.019 8.655 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A -3 113.705 7.826 7.058 1.00 0.00 H new ATOM 10 N ALA A -2 113.313 10.644 8.784 1.00 0.00 N ATOM 11 CA ALA A -2 112.602 11.963 8.745 1.00 0.00 C ATOM 12 C ALA A -2 113.177 12.843 7.629 1.00 0.00 C ATOM 13 O ALA A -2 112.468 13.620 7.015 1.00 0.00 O ATOM 14 CB ALA A -2 112.853 12.604 10.112 1.00 0.00 C ATOM 0 H ALA A -2 113.884 10.487 9.614 1.00 0.00 H new ATOM 0 HA ALA A -2 111.537 11.844 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A -2 112.360 13.575 10.154 1.00 0.00 H new ATOM 0 HB2 ALA A -2 112.453 11.960 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A -2 113.925 12.734 10.262 1.00 0.00 H new ATOM 20 N MET A -1 114.456 12.721 7.366 1.00 0.00 N ATOM 21 CA MET A -1 115.092 13.536 6.286 1.00 0.00 C ATOM 22 C MET A -1 115.743 12.618 5.247 1.00 0.00 C ATOM 23 O MET A -1 116.029 11.466 5.521 1.00 0.00 O ATOM 24 CB MET A -1 116.153 14.378 6.996 1.00 0.00 C ATOM 25 CG MET A -1 115.472 15.388 7.923 1.00 0.00 C ATOM 26 SD MET A -1 116.718 16.501 8.620 1.00 0.00 S ATOM 27 CE MET A -1 117.013 17.477 7.125 1.00 0.00 C ATOM 0 H MET A -1 115.089 12.089 7.856 1.00 0.00 H new ATOM 0 HA MET A -1 114.369 14.156 5.756 1.00 0.00 H new ATOM 0 HB2 MET A -1 116.819 13.734 7.570 1.00 0.00 H new ATOM 0 HB3 MET A -1 116.768 14.900 6.263 1.00 0.00 H new ATOM 0 HG2 MET A -1 114.726 15.960 7.371 1.00 0.00 H new ATOM 0 HG3 MET A -1 114.946 14.867 8.723 1.00 0.00 H new ATOM 0 HE1 MET A -1 116.879 18.535 7.349 1.00 0.00 H new ATOM 0 HE2 MET A -1 118.031 17.306 6.774 1.00 0.00 H new ATOM 0 HE3 MET A -1 116.307 17.178 6.350 1.00 0.00 H new ATOM 37 N GLY A 0 115.975 13.120 4.059 1.00 0.00 N ATOM 38 CA GLY A 0 116.621 12.292 2.998 1.00 0.00 C ATOM 39 C GLY A 0 115.556 11.474 2.265 1.00 0.00 C ATOM 40 O GLY A 0 114.374 11.746 2.372 1.00 0.00 O ATOM 0 H GLY A 0 115.743 14.073 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 0 117.150 12.934 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 0 117.362 11.628 3.442 1.00 0.00 H new ATOM 44 N MET A 1 115.969 10.475 1.523 1.00 0.00 N ATOM 45 CA MET A 1 114.990 9.632 0.771 1.00 0.00 C ATOM 46 C MET A 1 114.708 8.337 1.539 1.00 0.00 C ATOM 47 O MET A 1 115.610 7.712 2.066 1.00 0.00 O ATOM 48 CB MET A 1 115.672 9.326 -0.563 1.00 0.00 C ATOM 49 CG MET A 1 115.812 10.615 -1.376 1.00 0.00 C ATOM 50 SD MET A 1 116.455 10.225 -3.023 1.00 0.00 S ATOM 51 CE MET A 1 118.049 9.553 -2.491 1.00 0.00 C ATOM 0 H MET A 1 116.946 10.207 1.406 1.00 0.00 H new ATOM 0 HA MET A 1 114.033 10.135 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.654 8.886 -0.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.089 8.594 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.845 11.111 -1.460 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.483 11.307 -0.867 1.00 0.00 H new ATOM 0 HE1 MET A 1 118.779 9.672 -3.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 118.392 10.087 -1.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 117.937 8.494 -2.256 1.00 0.00 H new ATOM 61 N SER A 2 113.461 7.935 1.604 1.00 0.00 N ATOM 62 CA SER A 2 113.102 6.689 2.350 1.00 0.00 C ATOM 63 C SER A 2 112.319 5.735 1.444 1.00 0.00 C ATOM 64 O SER A 2 111.649 6.156 0.519 1.00 0.00 O ATOM 65 CB SER A 2 112.229 7.161 3.512 1.00 0.00 C ATOM 66 OG SER A 2 112.955 8.102 4.293 1.00 0.00 O ATOM 0 H SER A 2 112.674 8.419 1.171 1.00 0.00 H new ATOM 0 HA SER A 2 113.983 6.147 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.313 7.615 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.933 6.312 4.128 1.00 0.00 H new ATOM 0 HG SER A 2 112.375 8.459 4.997 1.00 0.00 H new ATOM 72 N VAL A 3 112.401 4.452 1.708 1.00 0.00 N ATOM 73 CA VAL A 3 111.648 3.452 0.877 1.00 0.00 C ATOM 74 C VAL A 3 110.135 3.629 1.086 1.00 0.00 C ATOM 75 O VAL A 3 109.348 3.386 0.190 1.00 0.00 O ATOM 76 CB VAL A 3 112.109 2.069 1.371 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.402 0.966 0.573 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.623 1.930 1.180 1.00 0.00 C ATOM 0 H VAL A 3 112.957 4.052 2.464 1.00 0.00 H new ATOM 0 HA VAL A 3 111.841 3.576 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 3 111.860 1.972 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.733 -0.010 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.324 1.054 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.646 1.069 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.946 0.950 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.868 2.036 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.134 2.706 1.750 1.00 0.00 H new ATOM 88 N ALA A 4 109.730 4.054 2.261 1.00 0.00 N ATOM 89 CA ALA A 4 108.267 4.234 2.545 1.00 0.00 C ATOM 90 C ALA A 4 107.653 5.273 1.595 1.00 0.00 C ATOM 91 O ALA A 4 106.475 5.222 1.291 1.00 0.00 O ATOM 92 CB ALA A 4 108.190 4.727 3.992 1.00 0.00 C ATOM 0 H ALA A 4 110.350 4.285 3.037 1.00 0.00 H new ATOM 0 HA ALA A 4 107.713 3.306 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.147 4.881 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.636 3.984 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 4 108.732 5.668 4.085 1.00 0.00 H new ATOM 98 N ASP A 5 108.444 6.212 1.129 1.00 0.00 N ATOM 99 CA ASP A 5 107.920 7.242 0.172 1.00 0.00 C ATOM 100 C ASP A 5 107.471 6.576 -1.134 1.00 0.00 C ATOM 101 O ASP A 5 106.468 6.948 -1.715 1.00 0.00 O ATOM 102 CB ASP A 5 109.092 8.194 -0.090 1.00 0.00 C ATOM 103 CG ASP A 5 109.443 8.946 1.197 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.527 9.372 1.882 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.623 9.083 1.476 1.00 0.00 O ATOM 0 H ASP A 5 109.430 6.310 1.370 1.00 0.00 H new ATOM 0 HA ASP A 5 107.056 7.768 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.957 7.633 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.830 8.902 -0.876 1.00 0.00 H new ATOM 110 N PHE A 6 108.210 5.596 -1.595 1.00 0.00 N ATOM 111 CA PHE A 6 107.810 4.868 -2.841 1.00 0.00 C ATOM 112 C PHE A 6 106.579 3.997 -2.570 1.00 0.00 C ATOM 113 O PHE A 6 105.743 3.807 -3.434 1.00 0.00 O ATOM 114 CB PHE A 6 109.012 3.998 -3.215 1.00 0.00 C ATOM 115 CG PHE A 6 110.209 4.793 -3.681 1.00 0.00 C ATOM 116 CD1 PHE A 6 111.176 5.231 -2.743 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.362 5.104 -5.054 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.298 5.977 -3.179 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.484 5.850 -5.490 1.00 0.00 C ATOM 120 CZ PHE A 6 112.452 6.287 -4.553 1.00 0.00 C ATOM 0 H PHE A 6 109.074 5.268 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 6 107.547 5.554 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.298 3.397 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.717 3.304 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 6 111.058 4.996 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.623 4.772 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 6 113.036 6.310 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.602 6.086 -6.537 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.307 6.856 -4.886 1.00 0.00 H new ATOM 130 N TYR A 7 106.466 3.467 -1.373 1.00 0.00 N ATOM 131 CA TYR A 7 105.266 2.641 -1.018 1.00 0.00 C ATOM 132 C TYR A 7 104.008 3.516 -1.006 1.00 0.00 C ATOM 133 O TYR A 7 104.035 4.647 -0.555 1.00 0.00 O ATOM 134 CB TYR A 7 105.551 2.083 0.386 1.00 0.00 C ATOM 135 CG TYR A 7 106.141 0.686 0.397 1.00 0.00 C ATOM 136 CD1 TYR A 7 107.018 0.263 -0.636 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.820 -0.200 1.455 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.571 -1.041 -0.607 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.370 -1.504 1.481 1.00 0.00 C ATOM 140 CZ TYR A 7 107.246 -1.924 0.452 1.00 0.00 C ATOM 141 OH TYR A 7 107.786 -3.193 0.481 1.00 0.00 O ATOM 0 H TYR A 7 107.153 3.571 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 7 105.093 1.842 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.236 2.758 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.622 2.077 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.264 0.936 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.154 0.120 2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.240 -1.362 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.121 -2.179 2.287 1.00 0.00 H new ATOM 0 HH TYR A 7 107.462 -3.668 1.274 1.00 0.00 H new ATOM 151 N GLY A 8 102.911 2.998 -1.499 1.00 0.00 N ATOM 152 CA GLY A 8 101.652 3.799 -1.556 1.00 0.00 C ATOM 153 C GLY A 8 101.656 4.728 -2.783 1.00 0.00 C ATOM 154 O GLY A 8 100.765 5.542 -2.943 1.00 0.00 O ATOM 0 H GLY A 8 102.834 2.049 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.792 3.131 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.549 4.390 -0.646 1.00 0.00 H new ATOM 158 N SER A 9 102.645 4.621 -3.646 1.00 0.00 N ATOM 159 CA SER A 9 102.678 5.486 -4.867 1.00 0.00 C ATOM 160 C SER A 9 101.892 4.828 -6.006 1.00 0.00 C ATOM 161 O SER A 9 101.942 3.625 -6.186 1.00 0.00 O ATOM 162 CB SER A 9 104.157 5.606 -5.236 1.00 0.00 C ATOM 163 OG SER A 9 104.638 4.341 -5.673 1.00 0.00 O ATOM 0 H SER A 9 103.427 3.973 -3.555 1.00 0.00 H new ATOM 0 HA SER A 9 102.224 6.461 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.288 6.349 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.731 5.949 -4.375 1.00 0.00 H new ATOM 0 HG SER A 9 105.375 4.053 -5.094 1.00 0.00 H new ATOM 169 N ASN A 10 101.171 5.608 -6.774 1.00 0.00 N ATOM 170 CA ASN A 10 100.450 5.046 -7.961 1.00 0.00 C ATOM 171 C ASN A 10 101.378 5.040 -9.174 1.00 0.00 C ATOM 172 O ASN A 10 101.785 6.079 -9.665 1.00 0.00 O ATOM 173 CB ASN A 10 99.265 5.987 -8.196 1.00 0.00 C ATOM 174 CG ASN A 10 98.236 5.302 -9.098 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.592 4.561 -9.994 1.00 0.00 O ATOM 176 ND2 ASN A 10 96.965 5.519 -8.897 1.00 0.00 N ATOM 0 H ASN A 10 101.050 6.611 -6.631 1.00 0.00 H new ATOM 0 HA ASN A 10 100.122 4.019 -7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.807 6.256 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.609 6.913 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.270 5.067 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.666 6.141 -8.145 1.00 0.00 H new ATOM 183 N VAL A 11 101.709 3.872 -9.657 1.00 0.00 N ATOM 184 CA VAL A 11 102.595 3.763 -10.853 1.00 0.00 C ATOM 185 C VAL A 11 101.959 2.816 -11.870 1.00 0.00 C ATOM 186 O VAL A 11 101.082 2.042 -11.534 1.00 0.00 O ATOM 187 CB VAL A 11 103.932 3.201 -10.338 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.568 4.199 -9.369 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.709 1.866 -9.612 1.00 0.00 C ATOM 0 H VAL A 11 101.400 2.980 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 11 102.744 4.723 -11.348 1.00 0.00 H new ATOM 0 HB VAL A 11 104.592 3.037 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.515 3.800 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.746 5.143 -9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.897 4.366 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.664 1.482 -9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.040 2.020 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.264 1.147 -10.300 1.00 0.00 H new ATOM 199 N GLU A 12 102.391 2.869 -13.104 1.00 0.00 N ATOM 200 CA GLU A 12 101.906 1.879 -14.107 1.00 0.00 C ATOM 201 C GLU A 12 103.088 1.062 -14.634 1.00 0.00 C ATOM 202 O GLU A 12 104.177 1.573 -14.802 1.00 0.00 O ATOM 203 CB GLU A 12 101.288 2.721 -15.226 1.00 0.00 C ATOM 204 CG GLU A 12 100.655 1.806 -16.279 1.00 0.00 C ATOM 205 CD GLU A 12 99.963 2.653 -17.349 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.299 3.609 -16.984 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.108 2.330 -18.517 1.00 0.00 O ATOM 0 H GLU A 12 103.058 3.555 -13.458 1.00 0.00 H new ATOM 0 HA GLU A 12 101.187 1.174 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.534 3.392 -14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.053 3.346 -15.687 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.420 1.179 -16.737 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.934 1.138 -15.808 1.00 0.00 H new ATOM 214 N VAL A 13 102.879 -0.203 -14.889 1.00 0.00 N ATOM 215 CA VAL A 13 103.974 -1.043 -15.465 1.00 0.00 C ATOM 216 C VAL A 13 103.450 -1.837 -16.661 1.00 0.00 C ATOM 217 O VAL A 13 102.322 -2.298 -16.657 1.00 0.00 O ATOM 218 CB VAL A 13 104.412 -1.983 -14.326 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.297 -2.980 -13.981 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.656 -2.761 -14.762 1.00 0.00 C ATOM 0 H VAL A 13 101.999 -0.692 -14.724 1.00 0.00 H new ATOM 0 HA VAL A 13 104.809 -0.443 -15.826 1.00 0.00 H new ATOM 0 HB VAL A 13 104.630 -1.380 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.630 -3.633 -13.174 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.408 -2.436 -13.664 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.061 -3.580 -14.860 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.969 -3.427 -13.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.425 -3.348 -15.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.461 -2.062 -14.988 1.00 0.00 H new ATOM 230 N LEU A 14 104.252 -1.998 -17.684 1.00 0.00 N ATOM 231 CA LEU A 14 103.872 -2.961 -18.762 1.00 0.00 C ATOM 232 C LEU A 14 104.575 -4.290 -18.529 1.00 0.00 C ATOM 233 O LEU A 14 105.751 -4.331 -18.215 1.00 0.00 O ATOM 234 CB LEU A 14 104.324 -2.377 -20.111 1.00 0.00 C ATOM 235 CG LEU A 14 103.897 -0.906 -20.319 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.687 -0.679 -21.818 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.597 -0.566 -19.572 1.00 0.00 C ATOM 0 H LEU A 14 105.139 -1.513 -17.819 1.00 0.00 H new ATOM 0 HA LEU A 14 102.794 -3.122 -18.759 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.409 -2.446 -20.182 1.00 0.00 H new ATOM 0 HB3 LEU A 14 103.912 -2.984 -20.917 1.00 0.00 H new ATOM 0 HG LEU A 14 104.680 -0.261 -19.921 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.385 0.354 -21.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.617 -0.879 -22.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 102.909 -1.350 -22.182 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.338 0.478 -19.749 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.792 -1.206 -19.933 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.738 -0.729 -18.504 1.00 0.00 H new ATOM 249 N LEU A 15 103.865 -5.376 -18.679 1.00 0.00 N ATOM 250 CA LEU A 15 104.506 -6.713 -18.513 1.00 0.00 C ATOM 251 C LEU A 15 105.196 -7.130 -19.816 1.00 0.00 C ATOM 252 O LEU A 15 105.129 -6.436 -20.814 1.00 0.00 O ATOM 253 CB LEU A 15 103.367 -7.679 -18.171 1.00 0.00 C ATOM 254 CG LEU A 15 102.742 -7.291 -16.828 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.453 -8.089 -16.617 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.723 -7.606 -15.696 1.00 0.00 C ATOM 0 H LEU A 15 102.871 -5.396 -18.909 1.00 0.00 H new ATOM 0 HA LEU A 15 105.268 -6.706 -17.734 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.610 -7.655 -18.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.746 -8.700 -18.125 1.00 0.00 H new ATOM 0 HG LEU A 15 102.517 -6.224 -16.828 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.007 -7.814 -15.661 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.752 -7.867 -17.422 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.681 -9.155 -16.618 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.277 -7.329 -14.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.948 -8.672 -15.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.643 -7.041 -15.844 1.00 0.00 H new ATOM 268 N ASN A 16 105.858 -8.262 -19.805 1.00 0.00 N ATOM 269 CA ASN A 16 106.626 -8.725 -21.016 1.00 0.00 C ATOM 270 C ASN A 16 105.714 -8.853 -22.248 1.00 0.00 C ATOM 271 O ASN A 16 106.179 -8.820 -23.373 1.00 0.00 O ATOM 272 CB ASN A 16 107.214 -10.093 -20.633 1.00 0.00 C ATOM 273 CG ASN A 16 106.095 -11.073 -20.259 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.226 -11.357 -21.060 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.080 -11.606 -19.068 1.00 0.00 N ATOM 0 H ASN A 16 105.903 -8.893 -19.005 1.00 0.00 H new ATOM 0 HA ASN A 16 107.401 -8.008 -21.287 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.792 -10.493 -21.466 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.901 -9.978 -19.794 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.340 -12.259 -18.811 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.808 -11.369 -18.394 1.00 0.00 H new ATOM 282 N ASN A 17 104.427 -8.998 -22.043 1.00 0.00 N ATOM 283 CA ASN A 17 103.500 -9.226 -23.198 1.00 0.00 C ATOM 284 C ASN A 17 102.770 -7.927 -23.590 1.00 0.00 C ATOM 285 O ASN A 17 101.680 -7.970 -24.129 1.00 0.00 O ATOM 286 CB ASN A 17 102.507 -10.299 -22.721 1.00 0.00 C ATOM 287 CG ASN A 17 101.723 -9.809 -21.497 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.722 -9.137 -21.631 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.142 -10.125 -20.301 1.00 0.00 N ATOM 0 H ASN A 17 103.978 -8.969 -21.128 1.00 0.00 H new ATOM 0 HA ASN A 17 104.040 -9.547 -24.089 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.816 -10.545 -23.527 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.045 -11.214 -22.472 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.628 -9.807 -19.480 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.984 -10.690 -20.188 1.00 0.00 H new ATOM 296 N ASP A 18 103.359 -6.772 -23.320 1.00 0.00 N ATOM 297 CA ASP A 18 102.790 -5.472 -23.821 1.00 0.00 C ATOM 298 C ASP A 18 101.361 -5.264 -23.305 1.00 0.00 C ATOM 299 O ASP A 18 100.569 -4.573 -23.918 1.00 0.00 O ATOM 300 CB ASP A 18 102.803 -5.561 -25.356 1.00 0.00 C ATOM 301 CG ASP A 18 104.246 -5.664 -25.857 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.089 -4.956 -25.329 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.484 -6.448 -26.761 1.00 0.00 O ATOM 0 H ASP A 18 104.214 -6.679 -22.771 1.00 0.00 H new ATOM 0 HA ASP A 18 103.378 -4.625 -23.467 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.232 -6.429 -25.684 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.321 -4.682 -25.785 1.00 0.00 H new ATOM 308 N SER A 19 101.027 -5.858 -22.181 1.00 0.00 N ATOM 309 CA SER A 19 99.751 -5.504 -21.494 1.00 0.00 C ATOM 310 C SER A 19 100.057 -4.547 -20.345 1.00 0.00 C ATOM 311 O SER A 19 101.015 -4.731 -19.616 1.00 0.00 O ATOM 312 CB SER A 19 99.197 -6.825 -20.962 1.00 0.00 C ATOM 313 OG SER A 19 100.071 -7.334 -19.963 1.00 0.00 O ATOM 0 H SER A 19 101.586 -6.572 -21.714 1.00 0.00 H new ATOM 0 HA SER A 19 99.036 -5.014 -22.155 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.201 -6.674 -20.547 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.097 -7.544 -21.775 1.00 0.00 H new ATOM 0 HG SER A 19 100.314 -8.258 -20.181 1.00 0.00 H new ATOM 319 N LYS A 20 99.254 -3.528 -20.175 1.00 0.00 N ATOM 320 CA LYS A 20 99.596 -2.462 -19.184 1.00 0.00 C ATOM 321 C LYS A 20 98.651 -2.528 -17.981 1.00 0.00 C ATOM 322 O LYS A 20 97.473 -2.804 -18.121 1.00 0.00 O ATOM 323 CB LYS A 20 99.407 -1.123 -19.924 1.00 0.00 C ATOM 324 CG LYS A 20 100.014 -1.180 -21.337 1.00 0.00 C ATOM 325 CD LYS A 20 100.010 0.223 -21.950 1.00 0.00 C ATOM 326 CE LYS A 20 100.524 0.151 -23.390 1.00 0.00 C ATOM 327 NZ LYS A 20 99.908 1.322 -24.075 1.00 0.00 N ATOM 0 H LYS A 20 98.378 -3.388 -20.678 1.00 0.00 H new ATOM 0 HA LYS A 20 100.613 -2.580 -18.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.345 -0.888 -19.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 99.876 -0.320 -19.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.032 -1.566 -21.292 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.441 -1.864 -21.963 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.002 0.636 -21.933 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.639 0.891 -21.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.612 0.201 -23.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.232 -0.785 -23.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.213 1.342 -25.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.872 1.244 -24.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.209 2.198 -23.603 1.00 0.00 H new ATOM 341 N ALA A 21 99.166 -2.276 -16.802 1.00 0.00 N ATOM 342 CA ALA A 21 98.306 -2.273 -15.580 1.00 0.00 C ATOM 343 C ALA A 21 98.732 -1.142 -14.638 1.00 0.00 C ATOM 344 O ALA A 21 99.892 -0.777 -14.580 1.00 0.00 O ATOM 345 CB ALA A 21 98.544 -3.634 -14.925 1.00 0.00 C ATOM 0 H ALA A 21 100.151 -2.071 -16.634 1.00 0.00 H new ATOM 0 HA ALA A 21 97.254 -2.112 -15.815 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.946 -3.711 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.257 -4.426 -15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.600 -3.737 -14.673 1.00 0.00 H new ATOM 351 N ARG A 22 97.799 -0.588 -13.901 1.00 0.00 N ATOM 352 CA ARG A 22 98.128 0.547 -12.980 1.00 0.00 C ATOM 353 C ARG A 22 97.681 0.200 -11.559 1.00 0.00 C ATOM 354 O ARG A 22 96.764 -0.578 -11.371 1.00 0.00 O ATOM 355 CB ARG A 22 97.314 1.737 -13.504 1.00 0.00 C ATOM 356 CG ARG A 22 97.748 2.093 -14.929 1.00 0.00 C ATOM 357 CD ARG A 22 96.650 2.921 -15.607 1.00 0.00 C ATOM 358 NE ARG A 22 96.598 4.214 -14.851 1.00 0.00 N ATOM 359 CZ ARG A 22 95.574 5.038 -14.969 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.557 4.766 -15.755 1.00 0.00 N ATOM 361 NH2 ARG A 22 95.573 6.153 -14.290 1.00 0.00 N ATOM 0 H ARG A 22 96.820 -0.874 -13.898 1.00 0.00 H new ATOM 0 HA ARG A 22 99.196 0.761 -12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.252 1.494 -13.490 1.00 0.00 H new ATOM 0 HB3 ARG A 22 97.452 2.597 -12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 22 98.681 2.656 -14.906 1.00 0.00 H new ATOM 0 HG3 ARG A 22 97.938 1.184 -15.500 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.880 3.091 -16.659 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.690 2.406 -15.569 1.00 0.00 H new ATOM 0 HE ARG A 22 97.370 4.462 -14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 22 94.546 3.900 -16.293 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.779 5.421 -15.827 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.357 6.378 -13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.788 6.799 -14.372 1.00 0.00 H new ATOM 375 N GLY A 23 98.319 0.762 -10.557 1.00 0.00 N ATOM 376 CA GLY A 23 97.843 0.534 -9.159 1.00 0.00 C ATOM 377 C GLY A 23 98.757 1.259 -8.170 1.00 0.00 C ATOM 378 O GLY A 23 99.796 1.775 -8.538 1.00 0.00 O ATOM 0 H GLY A 23 99.139 1.362 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.820 0.893 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.831 -0.534 -8.940 1.00 0.00 H new ATOM 382 N VAL A 24 98.371 1.298 -6.918 1.00 0.00 N ATOM 383 CA VAL A 24 99.238 1.930 -5.877 1.00 0.00 C ATOM 384 C VAL A 24 100.087 0.850 -5.201 1.00 0.00 C ATOM 385 O VAL A 24 99.573 -0.132 -4.702 1.00 0.00 O ATOM 386 CB VAL A 24 98.276 2.580 -4.868 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.081 3.355 -3.824 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.334 3.552 -5.589 1.00 0.00 C ATOM 0 H VAL A 24 97.490 0.918 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 24 99.920 2.669 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 24 97.690 1.798 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.400 3.816 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.750 2.672 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.667 4.130 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.657 4.007 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.919 4.331 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.755 3.010 -6.337 1.00 0.00 H new ATOM 398 N ILE A 25 101.384 1.034 -5.182 1.00 0.00 N ATOM 399 CA ILE A 25 102.295 -0.033 -4.650 1.00 0.00 C ATOM 400 C ILE A 25 102.059 -0.233 -3.147 1.00 0.00 C ATOM 401 O ILE A 25 101.913 0.719 -2.403 1.00 0.00 O ATOM 402 CB ILE A 25 103.720 0.482 -4.931 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.950 0.526 -6.446 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.769 -0.435 -4.280 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.200 1.355 -6.756 1.00 0.00 C ATOM 0 H ILE A 25 101.854 1.877 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 25 102.122 -1.002 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 25 103.823 1.481 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.067 -0.485 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.082 0.960 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.768 -0.053 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.611 -0.461 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.673 -1.442 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.360 1.384 -7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 105.065 2.370 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 25 106.066 0.902 -6.273 1.00 0.00 H new ATOM 417 N THR A 26 102.023 -1.468 -2.706 1.00 0.00 N ATOM 418 CA THR A 26 101.765 -1.749 -1.262 1.00 0.00 C ATOM 419 C THR A 26 102.875 -2.618 -0.656 1.00 0.00 C ATOM 420 O THR A 26 103.239 -2.440 0.492 1.00 0.00 O ATOM 421 CB THR A 26 100.428 -2.492 -1.234 1.00 0.00 C ATOM 422 OG1 THR A 26 100.497 -3.619 -2.096 1.00 0.00 O ATOM 423 CG2 THR A 26 99.302 -1.562 -1.698 1.00 0.00 C ATOM 0 H THR A 26 102.162 -2.294 -3.288 1.00 0.00 H new ATOM 0 HA THR A 26 101.741 -0.831 -0.674 1.00 0.00 H new ATOM 0 HB THR A 26 100.222 -2.820 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.560 -3.316 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.354 -2.099 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.246 -0.699 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.504 -1.226 -2.715 1.00 0.00 H new ATOM 431 N ASN A 27 103.418 -3.555 -1.407 1.00 0.00 N ATOM 432 CA ASN A 27 104.399 -4.512 -0.806 1.00 0.00 C ATOM 433 C ASN A 27 105.593 -4.732 -1.737 1.00 0.00 C ATOM 434 O ASN A 27 105.467 -4.686 -2.945 1.00 0.00 O ATOM 435 CB ASN A 27 103.617 -5.813 -0.625 1.00 0.00 C ATOM 436 CG ASN A 27 104.405 -6.761 0.281 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.628 -6.468 1.439 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.839 -7.894 -0.201 1.00 0.00 N ATOM 0 H ASN A 27 103.224 -3.694 -2.399 1.00 0.00 H new ATOM 0 HA ASN A 27 104.806 -4.138 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.640 -5.605 -0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.441 -6.281 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.365 -8.533 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.652 -8.140 -1.173 1.00 0.00 H new ATOM 445 N PHE A 28 106.753 -4.967 -1.171 1.00 0.00 N ATOM 446 CA PHE A 28 107.946 -5.337 -1.989 1.00 0.00 C ATOM 447 C PHE A 28 108.862 -6.255 -1.176 1.00 0.00 C ATOM 448 O PHE A 28 109.210 -5.953 -0.049 1.00 0.00 O ATOM 449 CB PHE A 28 108.644 -4.014 -2.303 1.00 0.00 C ATOM 450 CG PHE A 28 109.757 -4.147 -3.315 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.450 -4.413 -4.672 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.106 -4.001 -2.909 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.492 -4.536 -5.623 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.148 -4.124 -3.860 1.00 0.00 C ATOM 455 CZ PHE A 28 111.841 -4.390 -5.217 1.00 0.00 C ATOM 0 H PHE A 28 106.923 -4.917 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 28 107.679 -5.873 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.907 -3.303 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 28 109.050 -3.598 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.421 -4.522 -4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.340 -3.796 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.258 -4.741 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.177 -4.015 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.636 -4.482 -5.942 1.00 0.00 H new ATOM 465 N ASP A 29 109.253 -7.369 -1.740 1.00 0.00 N ATOM 466 CA ASP A 29 110.083 -8.355 -0.981 1.00 0.00 C ATOM 467 C ASP A 29 111.402 -8.605 -1.714 1.00 0.00 C ATOM 468 O ASP A 29 111.411 -9.002 -2.863 1.00 0.00 O ATOM 469 CB ASP A 29 109.241 -9.632 -0.939 1.00 0.00 C ATOM 470 CG ASP A 29 109.856 -10.619 0.056 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.065 -10.780 0.031 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.107 -11.198 0.824 1.00 0.00 O ATOM 0 H ASP A 29 109.032 -7.640 -2.698 1.00 0.00 H new ATOM 0 HA ASP A 29 110.336 -8.002 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.218 -9.396 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.194 -10.082 -1.931 1.00 0.00 H new ATOM 477 N SER A 30 112.510 -8.374 -1.054 1.00 0.00 N ATOM 478 CA SER A 30 113.843 -8.577 -1.710 1.00 0.00 C ATOM 479 C SER A 30 114.126 -10.071 -1.920 1.00 0.00 C ATOM 480 O SER A 30 114.876 -10.443 -2.804 1.00 0.00 O ATOM 481 CB SER A 30 114.867 -7.973 -0.746 1.00 0.00 C ATOM 482 OG SER A 30 114.920 -8.760 0.437 1.00 0.00 O ATOM 0 H SER A 30 112.551 -8.053 -0.087 1.00 0.00 H new ATOM 0 HA SER A 30 113.881 -8.108 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.849 -7.937 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.593 -6.947 -0.502 1.00 0.00 H new ATOM 0 HG SER A 30 115.576 -8.377 1.056 1.00 0.00 H new ATOM 488 N SER A 31 113.532 -10.928 -1.119 1.00 0.00 N ATOM 489 CA SER A 31 113.819 -12.399 -1.229 1.00 0.00 C ATOM 490 C SER A 31 113.425 -12.929 -2.614 1.00 0.00 C ATOM 491 O SER A 31 114.194 -13.617 -3.261 1.00 0.00 O ATOM 492 CB SER A 31 112.966 -13.062 -0.145 1.00 0.00 C ATOM 493 OG SER A 31 113.243 -12.451 1.108 1.00 0.00 O ATOM 0 H SER A 31 112.861 -10.673 -0.394 1.00 0.00 H new ATOM 0 HA SER A 31 114.881 -12.610 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.908 -12.961 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.182 -14.129 -0.098 1.00 0.00 H new ATOM 0 HG SER A 31 112.597 -11.732 1.271 1.00 0.00 H new ATOM 499 N ASN A 32 112.237 -12.611 -3.069 1.00 0.00 N ATOM 500 CA ASN A 32 111.793 -13.077 -4.422 1.00 0.00 C ATOM 501 C ASN A 32 111.373 -11.893 -5.310 1.00 0.00 C ATOM 502 O ASN A 32 110.826 -12.086 -6.380 1.00 0.00 O ATOM 503 CB ASN A 32 110.593 -13.987 -4.150 1.00 0.00 C ATOM 504 CG ASN A 32 111.060 -15.248 -3.418 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.535 -15.587 -2.376 1.00 0.00 O ATOM 506 ND2 ASN A 32 112.031 -15.958 -3.922 1.00 0.00 N ATOM 0 H ASN A 32 111.554 -12.048 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 32 112.595 -13.589 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.852 -13.459 -3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.109 -14.257 -5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.351 -16.799 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.471 -15.672 -4.797 1.00 0.00 H new ATOM 513 N SER A 33 111.623 -10.669 -4.880 1.00 0.00 N ATOM 514 CA SER A 33 111.202 -9.459 -5.671 1.00 0.00 C ATOM 515 C SER A 33 109.716 -9.545 -6.063 1.00 0.00 C ATOM 516 O SER A 33 109.375 -9.671 -7.227 1.00 0.00 O ATOM 517 CB SER A 33 112.100 -9.451 -6.914 1.00 0.00 C ATOM 518 OG SER A 33 113.450 -9.666 -6.520 1.00 0.00 O ATOM 0 H SER A 33 112.105 -10.457 -4.007 1.00 0.00 H new ATOM 0 HA SER A 33 111.310 -8.542 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.784 -10.228 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.009 -8.499 -7.437 1.00 0.00 H new ATOM 0 HG SER A 33 114.026 -9.663 -7.313 1.00 0.00 H new ATOM 524 N ILE A 34 108.836 -9.480 -5.093 1.00 0.00 N ATOM 525 CA ILE A 34 107.371 -9.576 -5.390 1.00 0.00 C ATOM 526 C ILE A 34 106.685 -8.250 -5.043 1.00 0.00 C ATOM 527 O ILE A 34 106.899 -7.692 -3.983 1.00 0.00 O ATOM 528 CB ILE A 34 106.838 -10.714 -4.501 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.651 -12.011 -4.725 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.361 -10.975 -4.825 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.570 -12.479 -6.192 1.00 0.00 C ATOM 0 H ILE A 34 109.069 -9.364 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 34 107.177 -9.776 -6.444 1.00 0.00 H new ATOM 0 HB ILE A 34 106.939 -10.413 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.693 -11.841 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.274 -12.796 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.987 -11.781 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.782 -10.070 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.263 -11.259 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.152 -13.392 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.530 -12.673 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.971 -11.703 -6.844 1.00 0.00 H new ATOM 543 N LEU A 35 105.861 -7.747 -5.932 1.00 0.00 N ATOM 544 CA LEU A 35 105.242 -6.401 -5.722 1.00 0.00 C ATOM 545 C LEU A 35 103.716 -6.506 -5.762 1.00 0.00 C ATOM 546 O LEU A 35 103.146 -7.002 -6.716 1.00 0.00 O ATOM 547 CB LEU A 35 105.756 -5.555 -6.889 1.00 0.00 C ATOM 548 CG LEU A 35 105.310 -4.100 -6.715 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.282 -3.374 -5.782 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.299 -3.409 -8.080 1.00 0.00 C ATOM 0 H LEU A 35 105.590 -8.214 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 35 105.500 -5.969 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.844 -5.608 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.376 -5.951 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 35 104.309 -4.074 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.964 -2.339 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.292 -3.868 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.284 -3.397 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.982 -2.373 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.301 -3.435 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.606 -3.926 -8.744 1.00 0.00 H new ATOM 562 N GLN A 36 103.058 -6.041 -4.730 1.00 0.00 N ATOM 563 CA GLN A 36 101.569 -5.990 -4.746 1.00 0.00 C ATOM 564 C GLN A 36 101.100 -4.571 -5.067 1.00 0.00 C ATOM 565 O GLN A 36 101.513 -3.616 -4.431 1.00 0.00 O ATOM 566 CB GLN A 36 101.139 -6.394 -3.335 1.00 0.00 C ATOM 567 CG GLN A 36 101.326 -7.902 -3.156 1.00 0.00 C ATOM 568 CD GLN A 36 100.981 -8.296 -1.718 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.238 -7.552 -0.792 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.404 -9.444 -1.490 1.00 0.00 N ATOM 0 H GLN A 36 103.492 -5.694 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 36 101.139 -6.648 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.729 -5.853 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.096 -6.124 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.688 -8.443 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.355 -8.180 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.188 -10.069 -2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.169 -9.716 -0.535 1.00 0.00 H new ATOM 579 N LEU A 37 100.243 -4.430 -6.049 1.00 0.00 N ATOM 580 CA LEU A 37 99.707 -3.083 -6.404 1.00 0.00 C ATOM 581 C LEU A 37 98.226 -3.001 -6.039 1.00 0.00 C ATOM 582 O LEU A 37 97.416 -3.763 -6.535 1.00 0.00 O ATOM 583 CB LEU A 37 99.883 -2.963 -7.922 1.00 0.00 C ATOM 584 CG LEU A 37 101.280 -2.432 -8.250 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.569 -2.653 -9.737 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.345 -0.935 -7.942 1.00 0.00 C ATOM 0 H LEU A 37 99.891 -5.197 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 37 100.221 -2.283 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.736 -3.936 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.126 -2.294 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 37 102.019 -2.960 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.564 -2.276 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.522 -3.718 -9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.828 -2.122 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.341 -0.558 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.606 -0.407 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.134 -0.772 -6.885 1.00 0.00 H new ATOM 598 N ARG A 38 97.868 -2.084 -5.177 1.00 0.00 N ATOM 599 CA ARG A 38 96.423 -1.898 -4.833 1.00 0.00 C ATOM 600 C ARG A 38 95.852 -0.711 -5.614 1.00 0.00 C ATOM 601 O ARG A 38 96.323 0.403 -5.492 1.00 0.00 O ATOM 602 CB ARG A 38 96.391 -1.620 -3.329 1.00 0.00 C ATOM 603 CG ARG A 38 96.540 -2.936 -2.561 1.00 0.00 C ATOM 604 CD ARG A 38 96.144 -2.721 -1.097 1.00 0.00 C ATOM 605 NE ARG A 38 94.655 -2.858 -1.072 1.00 0.00 N ATOM 606 CZ ARG A 38 94.069 -4.040 -1.122 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.764 -5.152 -1.210 1.00 0.00 N ATOM 608 NH2 ARG A 38 92.766 -4.106 -1.087 1.00 0.00 N ATOM 0 H ARG A 38 98.512 -1.456 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 38 95.823 -2.772 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.195 -0.936 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 38 95.454 -1.133 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 38 95.911 -3.705 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 38 97.569 -3.291 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 38 96.619 -3.457 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 38 96.455 -1.738 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 38 94.079 -2.018 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.783 -5.115 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.285 -6.052 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 92.214 -3.251 -1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 38 92.300 -5.013 -1.125 1.00 0.00 H new ATOM 622 N LEU A 39 94.839 -0.945 -6.411 1.00 0.00 N ATOM 623 CA LEU A 39 94.335 0.123 -7.328 1.00 0.00 C ATOM 624 C LEU A 39 93.055 0.759 -6.766 1.00 0.00 C ATOM 625 O LEU A 39 92.290 0.126 -6.060 1.00 0.00 O ATOM 626 CB LEU A 39 94.074 -0.608 -8.653 1.00 0.00 C ATOM 627 CG LEU A 39 93.553 0.354 -9.735 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.566 1.473 -10.009 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.340 -0.435 -11.023 1.00 0.00 C ATOM 0 H LEU A 39 94.338 -1.832 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 39 95.040 0.945 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.994 -1.080 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.348 -1.405 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 39 92.622 0.802 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.173 2.139 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.740 2.038 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.505 1.038 -10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.970 0.232 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.285 -0.875 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.612 -1.227 -10.848 1.00 0.00 H new ATOM 641 N ALA A 40 92.826 2.013 -7.087 1.00 0.00 N ATOM 642 CA ALA A 40 91.718 2.791 -6.435 1.00 0.00 C ATOM 643 C ALA A 40 90.330 2.223 -6.780 1.00 0.00 C ATOM 644 O ALA A 40 89.333 2.654 -6.229 1.00 0.00 O ATOM 645 CB ALA A 40 91.852 4.216 -6.978 1.00 0.00 C ATOM 0 H ALA A 40 93.364 2.536 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 40 91.801 2.744 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 40 91.074 4.845 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.831 4.616 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.747 4.203 -8.063 1.00 0.00 H new ATOM 651 N ASN A 41 90.249 1.269 -7.680 1.00 0.00 N ATOM 652 CA ASN A 41 88.934 0.611 -7.974 1.00 0.00 C ATOM 653 C ASN A 41 88.681 -0.563 -7.010 1.00 0.00 C ATOM 654 O ASN A 41 88.040 -1.532 -7.374 1.00 0.00 O ATOM 655 CB ASN A 41 89.060 0.098 -9.412 1.00 0.00 C ATOM 656 CG ASN A 41 89.163 1.283 -10.375 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.525 2.299 -10.179 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.946 1.196 -11.415 1.00 0.00 N ATOM 0 H ASN A 41 91.037 0.918 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 41 88.100 1.302 -7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.941 -0.537 -9.506 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.196 -0.516 -9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 41 90.022 1.980 -12.063 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.482 0.344 -11.580 1.00 0.00 H new ATOM 665 N ASP A 42 89.181 -0.494 -5.782 1.00 0.00 N ATOM 666 CA ASP A 42 88.925 -1.579 -4.769 1.00 0.00 C ATOM 667 C ASP A 42 89.423 -2.931 -5.298 1.00 0.00 C ATOM 668 O ASP A 42 88.892 -3.970 -4.949 1.00 0.00 O ATOM 669 CB ASP A 42 87.404 -1.613 -4.547 1.00 0.00 C ATOM 670 CG ASP A 42 86.938 -0.273 -3.968 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.610 0.604 -4.749 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.920 -0.150 -2.755 1.00 0.00 O ATOM 0 H ASP A 42 89.758 0.275 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 42 89.454 -1.384 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.893 -1.811 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.144 -2.424 -3.867 1.00 0.00 H new ATOM 677 N SER A 43 90.438 -2.924 -6.139 1.00 0.00 N ATOM 678 CA SER A 43 91.004 -4.210 -6.648 1.00 0.00 C ATOM 679 C SER A 43 92.481 -4.322 -6.264 1.00 0.00 C ATOM 680 O SER A 43 93.219 -3.356 -6.322 1.00 0.00 O ATOM 681 CB SER A 43 90.847 -4.138 -8.167 1.00 0.00 C ATOM 682 OG SER A 43 89.468 -4.026 -8.492 1.00 0.00 O ATOM 0 H SER A 43 90.894 -2.082 -6.491 1.00 0.00 H new ATOM 0 HA SER A 43 90.499 -5.080 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.396 -3.282 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.270 -5.029 -8.631 1.00 0.00 H new ATOM 0 HG SER A 43 89.142 -3.139 -8.234 1.00 0.00 H new ATOM 688 N THR A 44 92.912 -5.496 -5.872 1.00 0.00 N ATOM 689 CA THR A 44 94.346 -5.691 -5.489 1.00 0.00 C ATOM 690 C THR A 44 94.942 -6.872 -6.261 1.00 0.00 C ATOM 691 O THR A 44 94.281 -7.870 -6.488 1.00 0.00 O ATOM 692 CB THR A 44 94.329 -5.968 -3.976 1.00 0.00 C ATOM 693 OG1 THR A 44 95.661 -6.159 -3.518 1.00 0.00 O ATOM 694 CG2 THR A 44 93.497 -7.220 -3.664 1.00 0.00 C ATOM 0 H THR A 44 92.330 -6.331 -5.800 1.00 0.00 H new ATOM 0 HA THR A 44 94.960 -4.822 -5.726 1.00 0.00 H new ATOM 0 HB THR A 44 93.879 -5.115 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.680 -6.886 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.498 -7.399 -2.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.473 -7.071 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.929 -8.081 -4.175 1.00 0.00 H new ATOM 702 N LYS A 45 96.183 -6.764 -6.664 1.00 0.00 N ATOM 703 CA LYS A 45 96.824 -7.870 -7.440 1.00 0.00 C ATOM 704 C LYS A 45 98.301 -8.004 -7.059 1.00 0.00 C ATOM 705 O LYS A 45 99.024 -7.026 -6.997 1.00 0.00 O ATOM 706 CB LYS A 45 96.678 -7.462 -8.906 1.00 0.00 C ATOM 707 CG LYS A 45 97.082 -8.633 -9.805 1.00 0.00 C ATOM 708 CD LYS A 45 96.895 -8.241 -11.272 1.00 0.00 C ATOM 709 CE LYS A 45 97.137 -9.463 -12.162 1.00 0.00 C ATOM 710 NZ LYS A 45 96.627 -9.068 -13.504 1.00 0.00 N ATOM 0 H LYS A 45 96.781 -5.956 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 45 96.361 -8.836 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.648 -7.170 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.304 -6.595 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 45 98.121 -8.905 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.477 -9.509 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.888 -7.856 -11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.587 -7.442 -11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 45 98.196 -9.719 -12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.611 -10.339 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.758 -9.855 -14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.615 -8.836 -13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 97.151 -8.236 -13.843 1.00 0.00 H new ATOM 724 N SER A 46 98.749 -9.210 -6.807 1.00 0.00 N ATOM 725 CA SER A 46 100.192 -9.431 -6.486 1.00 0.00 C ATOM 726 C SER A 46 100.940 -9.896 -7.738 1.00 0.00 C ATOM 727 O SER A 46 100.602 -10.904 -8.330 1.00 0.00 O ATOM 728 CB SER A 46 100.197 -10.526 -5.419 1.00 0.00 C ATOM 729 OG SER A 46 99.741 -11.744 -5.994 1.00 0.00 O ATOM 0 H SER A 46 98.175 -10.053 -6.810 1.00 0.00 H new ATOM 0 HA SER A 46 100.685 -8.523 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.202 -10.654 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.555 -10.241 -4.586 1.00 0.00 H new ATOM 0 HG SER A 46 99.708 -11.653 -6.969 1.00 0.00 H new ATOM 735 N ILE A 47 101.954 -9.168 -8.140 1.00 0.00 N ATOM 736 CA ILE A 47 102.711 -9.539 -9.377 1.00 0.00 C ATOM 737 C ILE A 47 104.209 -9.576 -9.067 1.00 0.00 C ATOM 738 O ILE A 47 104.750 -8.655 -8.483 1.00 0.00 O ATOM 739 CB ILE A 47 102.391 -8.435 -10.401 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.878 -8.377 -10.654 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.105 -8.733 -11.724 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.537 -7.102 -11.431 1.00 0.00 C ATOM 0 H ILE A 47 102.291 -8.331 -7.664 1.00 0.00 H new ATOM 0 HA ILE A 47 102.434 -10.522 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 47 102.732 -7.479 -10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.559 -9.254 -11.217 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.339 -8.393 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.876 -7.949 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.181 -8.768 -11.557 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.766 -9.694 -12.112 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.463 -7.062 -11.610 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.841 -6.230 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.064 -7.105 -12.385 1.00 0.00 H new ATOM 754 N VAL A 48 104.880 -10.632 -9.455 1.00 0.00 N ATOM 755 CA VAL A 48 106.358 -10.704 -9.232 1.00 0.00 C ATOM 756 C VAL A 48 107.059 -9.747 -10.203 1.00 0.00 C ATOM 757 O VAL A 48 106.732 -9.691 -11.371 1.00 0.00 O ATOM 758 CB VAL A 48 106.767 -12.163 -9.506 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.253 -12.354 -9.175 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.914 -13.124 -8.655 1.00 0.00 C ATOM 0 H VAL A 48 104.470 -11.445 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 48 106.637 -10.414 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 48 106.601 -12.385 -10.560 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.539 -13.388 -9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.853 -11.688 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.424 -12.122 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.213 -14.152 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.064 -12.904 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.861 -12.996 -8.907 1.00 0.00 H new ATOM 770 N THR A 49 108.019 -8.999 -9.723 1.00 0.00 N ATOM 771 CA THR A 49 108.624 -7.909 -10.558 1.00 0.00 C ATOM 772 C THR A 49 109.302 -8.475 -11.811 1.00 0.00 C ATOM 773 O THR A 49 109.450 -7.786 -12.803 1.00 0.00 O ATOM 774 CB THR A 49 109.654 -7.217 -9.656 1.00 0.00 C ATOM 775 OG1 THR A 49 110.593 -8.177 -9.191 1.00 0.00 O ATOM 776 CG2 THR A 49 108.947 -6.569 -8.463 1.00 0.00 C ATOM 0 H THR A 49 108.413 -9.094 -8.787 1.00 0.00 H new ATOM 0 HA THR A 49 107.860 -7.216 -10.910 1.00 0.00 H new ATOM 0 HB THR A 49 110.172 -6.445 -10.225 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.193 -8.701 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.683 -6.079 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.230 -5.831 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.424 -7.335 -7.890 1.00 0.00 H new ATOM 784 N LYS A 50 109.715 -9.719 -11.776 1.00 0.00 N ATOM 785 CA LYS A 50 110.473 -10.299 -12.935 1.00 0.00 C ATOM 786 C LYS A 50 109.649 -10.215 -14.227 1.00 0.00 C ATOM 787 O LYS A 50 110.198 -10.176 -15.314 1.00 0.00 O ATOM 788 CB LYS A 50 110.743 -11.763 -12.557 1.00 0.00 C ATOM 789 CG LYS A 50 111.664 -12.414 -13.594 1.00 0.00 C ATOM 790 CD LYS A 50 111.642 -13.933 -13.412 1.00 0.00 C ATOM 791 CE LYS A 50 112.692 -14.573 -14.325 1.00 0.00 C ATOM 792 NZ LYS A 50 112.065 -14.590 -15.676 1.00 0.00 N ATOM 0 H LYS A 50 109.561 -10.359 -10.997 1.00 0.00 H new ATOM 0 HA LYS A 50 111.397 -9.752 -13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.202 -11.813 -11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.803 -12.311 -12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.338 -12.153 -14.601 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.681 -12.038 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.845 -14.188 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.652 -14.324 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.618 -13.998 -14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.943 -15.580 -13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 111.855 -15.571 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 111.183 -14.040 -15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.719 -14.171 -16.368 1.00 0.00 H new ATOM 806 N ASP A 51 108.343 -10.188 -14.117 1.00 0.00 N ATOM 807 CA ASP A 51 107.496 -10.022 -15.341 1.00 0.00 C ATOM 808 C ASP A 51 107.282 -8.533 -15.677 1.00 0.00 C ATOM 809 O ASP A 51 106.481 -8.204 -16.533 1.00 0.00 O ATOM 810 CB ASP A 51 106.159 -10.722 -15.035 1.00 0.00 C ATOM 811 CG ASP A 51 105.473 -10.101 -13.811 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.327 -8.890 -13.781 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.099 -10.853 -12.926 1.00 0.00 O ATOM 0 H ASP A 51 107.829 -10.273 -13.240 1.00 0.00 H new ATOM 0 HA ASP A 51 107.979 -10.460 -16.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.501 -10.648 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.334 -11.783 -14.857 1.00 0.00 H new ATOM 818 N ILE A 52 107.985 -7.632 -15.017 1.00 0.00 N ATOM 819 CA ILE A 52 107.897 -6.185 -15.407 1.00 0.00 C ATOM 820 C ILE A 52 108.743 -5.934 -16.659 1.00 0.00 C ATOM 821 O ILE A 52 109.957 -6.030 -16.627 1.00 0.00 O ATOM 822 CB ILE A 52 108.453 -5.390 -14.208 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.549 -5.611 -12.984 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.508 -3.886 -14.552 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.154 -4.916 -11.756 1.00 0.00 C ATOM 0 H ILE A 52 108.608 -7.836 -14.235 1.00 0.00 H new ATOM 0 HA ILE A 52 106.875 -5.886 -15.638 1.00 0.00 H new ATOM 0 HB ILE A 52 109.461 -5.738 -13.983 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.552 -5.217 -13.181 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.438 -6.678 -12.791 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.902 -3.332 -13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.156 -3.734 -15.415 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.505 -3.529 -14.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.509 -5.076 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.142 -5.330 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.242 -3.847 -11.950 1.00 0.00 H new ATOM 837 N LYS A 53 108.105 -5.615 -17.758 1.00 0.00 N ATOM 838 CA LYS A 53 108.869 -5.177 -18.968 1.00 0.00 C ATOM 839 C LYS A 53 109.223 -3.693 -18.856 1.00 0.00 C ATOM 840 O LYS A 53 110.308 -3.278 -19.223 1.00 0.00 O ATOM 841 CB LYS A 53 107.934 -5.413 -20.155 1.00 0.00 C ATOM 842 CG LYS A 53 108.686 -5.164 -21.466 1.00 0.00 C ATOM 843 CD LYS A 53 107.729 -5.344 -22.645 1.00 0.00 C ATOM 844 CE LYS A 53 108.515 -5.280 -23.957 1.00 0.00 C ATOM 845 NZ LYS A 53 107.584 -5.816 -24.989 1.00 0.00 N ATOM 0 H LYS A 53 107.091 -5.639 -17.870 1.00 0.00 H new ATOM 0 HA LYS A 53 109.804 -5.726 -19.079 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.553 -6.434 -20.132 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.072 -4.749 -20.088 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.103 -4.157 -21.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.523 -5.856 -21.555 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.213 -6.301 -22.565 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.965 -4.567 -22.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.815 -4.258 -24.188 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.427 -5.875 -23.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.045 -5.789 -25.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.335 -6.798 -24.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.721 -5.236 -25.013 1.00 0.00 H new ATOM 859 N ASP A 54 108.314 -2.893 -18.351 1.00 0.00 N ATOM 860 CA ASP A 54 108.541 -1.410 -18.343 1.00 0.00 C ATOM 861 C ASP A 54 107.796 -0.751 -17.179 1.00 0.00 C ATOM 862 O ASP A 54 106.716 -1.171 -16.810 1.00 0.00 O ATOM 863 CB ASP A 54 107.985 -0.909 -19.677 1.00 0.00 C ATOM 864 CG ASP A 54 108.887 -1.376 -20.821 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.091 -1.215 -20.704 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.359 -1.886 -21.795 1.00 0.00 O ATOM 0 H ASP A 54 107.429 -3.199 -17.946 1.00 0.00 H new ATOM 0 HA ASP A 54 109.596 -1.167 -18.219 1.00 0.00 H new ATOM 0 HB2 ASP A 54 106.972 -1.284 -19.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.924 0.179 -19.671 1.00 0.00 H new ATOM 871 N LEU A 55 108.369 0.282 -16.606 1.00 0.00 N ATOM 872 CA LEU A 55 107.736 0.948 -15.426 1.00 0.00 C ATOM 873 C LEU A 55 107.598 2.456 -15.665 1.00 0.00 C ATOM 874 O LEU A 55 108.448 3.075 -16.280 1.00 0.00 O ATOM 875 CB LEU A 55 108.698 0.697 -14.262 1.00 0.00 C ATOM 876 CG LEU A 55 108.594 -0.759 -13.805 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.918 -1.193 -13.173 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.473 -0.891 -12.770 1.00 0.00 C ATOM 0 H LEU A 55 109.252 0.693 -16.908 1.00 0.00 H new ATOM 0 HA LEU A 55 106.736 0.559 -15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.720 0.919 -14.569 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.462 1.365 -13.434 1.00 0.00 H new ATOM 0 HG LEU A 55 108.375 -1.392 -14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.843 -2.231 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.719 -1.100 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.137 -0.558 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.399 -1.929 -12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.694 -0.256 -11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.528 -0.582 -13.216 1.00 0.00 H new ATOM 890 N ARG A 56 106.532 3.047 -15.180 1.00 0.00 N ATOM 891 CA ARG A 56 106.418 4.538 -15.192 1.00 0.00 C ATOM 892 C ARG A 56 105.631 5.011 -13.961 1.00 0.00 C ATOM 893 O ARG A 56 104.882 4.254 -13.371 1.00 0.00 O ATOM 894 CB ARG A 56 105.681 4.879 -16.500 1.00 0.00 C ATOM 895 CG ARG A 56 104.217 4.412 -16.436 1.00 0.00 C ATOM 896 CD ARG A 56 103.739 3.983 -17.828 1.00 0.00 C ATOM 897 NE ARG A 56 103.809 5.216 -18.678 1.00 0.00 N ATOM 898 CZ ARG A 56 103.777 5.144 -19.995 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.677 3.993 -20.621 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.844 6.245 -20.693 1.00 0.00 N ATOM 0 H ARG A 56 105.734 2.558 -14.775 1.00 0.00 H new ATOM 0 HA ARG A 56 107.388 5.034 -15.150 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.718 5.954 -16.674 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.184 4.402 -17.342 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.123 3.580 -15.738 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.587 5.217 -16.059 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.371 3.192 -18.232 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.723 3.591 -17.790 1.00 0.00 H new ATOM 0 HE ARG A 56 103.883 6.129 -18.229 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.622 3.125 -20.087 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.654 3.967 -21.640 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.920 7.145 -20.219 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.820 6.205 -21.712 1.00 0.00 H new ATOM 914 N ILE A 57 105.798 6.251 -13.575 1.00 0.00 N ATOM 915 CA ILE A 57 105.008 6.798 -12.425 1.00 0.00 C ATOM 916 C ILE A 57 104.075 7.904 -12.931 1.00 0.00 C ATOM 917 O ILE A 57 104.496 8.809 -13.628 1.00 0.00 O ATOM 918 CB ILE A 57 106.042 7.359 -11.435 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.020 6.251 -11.014 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.319 7.886 -10.191 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.187 6.861 -10.229 1.00 0.00 C ATOM 0 H ILE A 57 106.447 6.910 -14.005 1.00 0.00 H new ATOM 0 HA ILE A 57 104.387 6.040 -11.948 1.00 0.00 H new ATOM 0 HB ILE A 57 106.595 8.166 -11.916 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.504 5.511 -10.401 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.395 5.730 -11.895 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.050 8.284 -9.487 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.626 8.676 -10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.767 7.073 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.878 6.072 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.709 7.584 -10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.805 7.362 -9.339 1.00 0.00 H new ATOM 933 N LEU A 58 102.812 7.835 -12.583 1.00 0.00 N ATOM 934 CA LEU A 58 101.819 8.803 -13.147 1.00 0.00 C ATOM 935 C LEU A 58 101.755 10.066 -12.267 1.00 0.00 C ATOM 936 O LEU A 58 101.452 9.967 -11.093 1.00 0.00 O ATOM 937 CB LEU A 58 100.470 8.072 -13.122 1.00 0.00 C ATOM 938 CG LEU A 58 100.545 6.787 -13.956 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.340 5.902 -13.637 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.540 7.132 -15.447 1.00 0.00 C ATOM 0 H LEU A 58 102.426 7.150 -11.933 1.00 0.00 H new ATOM 0 HA LEU A 58 102.088 9.120 -14.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.198 7.831 -12.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.689 8.723 -13.514 1.00 0.00 H new ATOM 0 HG LEU A 58 101.466 6.256 -13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.393 4.989 -14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.346 5.648 -12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.422 6.438 -13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.593 6.214 -16.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.623 7.667 -15.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.400 7.761 -15.678 1.00 0.00 H new ATOM 952 N PRO A 59 102.042 11.221 -12.849 1.00 0.00 N ATOM 953 CA PRO A 59 101.994 12.488 -12.071 1.00 0.00 C ATOM 954 C PRO A 59 100.547 12.824 -11.689 1.00 0.00 C ATOM 955 O PRO A 59 99.631 12.624 -12.465 1.00 0.00 O ATOM 956 CB PRO A 59 102.563 13.536 -13.028 1.00 0.00 C ATOM 957 CG PRO A 59 102.392 12.955 -14.395 1.00 0.00 C ATOM 958 CD PRO A 59 102.430 11.458 -14.251 1.00 0.00 C ATOM 0 HA PRO A 59 102.553 12.433 -11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 59 102.033 14.484 -12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 59 103.613 13.736 -12.814 1.00 0.00 H new ATOM 0 HG2 PRO A 59 101.447 13.275 -14.834 1.00 0.00 H new ATOM 0 HG3 PRO A 59 103.184 13.298 -15.060 1.00 0.00 H new ATOM 0 HD2 PRO A 59 101.741 10.974 -14.943 1.00 0.00 H new ATOM 0 HD3 PRO A 59 103.424 11.062 -14.462 1.00 0.00 H new ATOM 966 N LYS A 60 100.342 13.335 -10.499 1.00 0.00 N ATOM 967 CA LYS A 60 98.956 13.698 -10.055 1.00 0.00 C ATOM 968 C LYS A 60 98.414 14.859 -10.896 1.00 0.00 C ATOM 969 O LYS A 60 97.253 14.880 -11.262 1.00 0.00 O ATOM 970 CB LYS A 60 99.093 14.121 -8.590 1.00 0.00 C ATOM 971 CG LYS A 60 99.491 12.912 -7.741 1.00 0.00 C ATOM 972 CD LYS A 60 99.651 13.342 -6.280 1.00 0.00 C ATOM 973 CE LYS A 60 98.272 13.618 -5.675 1.00 0.00 C ATOM 974 NZ LYS A 60 98.533 13.884 -4.232 1.00 0.00 N ATOM 0 H LYS A 60 101.075 13.517 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 60 98.262 12.866 -10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 60 99.843 14.906 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 60 98.151 14.536 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 60 98.733 12.133 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.424 12.487 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.159 12.561 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 60 100.272 14.236 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 60 97.794 14.472 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 60 97.605 12.765 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 97.634 14.082 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 98.982 13.051 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 99.165 14.705 -4.139 1.00 0.00 H new ATOM 988 N ASN A 61 99.250 15.822 -11.202 1.00 0.00 N ATOM 989 CA ASN A 61 98.791 17.003 -11.997 1.00 0.00 C ATOM 990 C ASN A 61 99.741 17.253 -13.173 1.00 0.00 C ATOM 991 O ASN A 61 100.946 17.147 -13.040 1.00 0.00 O ATOM 992 CB ASN A 61 98.831 18.176 -11.017 1.00 0.00 C ATOM 993 CG ASN A 61 98.096 19.373 -11.624 1.00 0.00 C ATOM 994 OD1 ASN A 61 96.941 19.272 -11.986 1.00 0.00 O ATOM 995 ND2 ASN A 61 98.721 20.512 -11.750 1.00 0.00 N ATOM 0 H ASN A 61 100.234 15.840 -10.934 1.00 0.00 H new ATOM 0 HA ASN A 61 97.797 16.856 -12.419 1.00 0.00 H new ATOM 0 HB2 ASN A 61 98.367 17.891 -10.073 1.00 0.00 H new ATOM 0 HB3 ASN A 61 99.864 18.444 -10.796 1.00 0.00 H new ATOM 0 HD21 ASN A 61 98.239 21.316 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 61 99.691 20.598 -11.446 1.00 0.00 H new ATOM 1002 N GLU A 62 99.200 17.587 -14.327 1.00 0.00 N ATOM 1003 CA GLU A 62 100.051 17.867 -15.539 1.00 0.00 C ATOM 1004 C GLU A 62 101.013 16.697 -15.809 1.00 0.00 C ATOM 1005 O GLU A 62 100.812 15.598 -15.326 1.00 0.00 O ATOM 1006 CB GLU A 62 100.825 19.157 -15.208 1.00 0.00 C ATOM 1007 CG GLU A 62 100.877 20.065 -16.442 1.00 0.00 C ATOM 1008 CD GLU A 62 101.977 21.112 -16.260 1.00 0.00 C ATOM 1009 OE1 GLU A 62 103.063 20.736 -15.848 1.00 0.00 O ATOM 1010 OE2 GLU A 62 101.717 22.271 -16.537 1.00 0.00 O ATOM 0 H GLU A 62 98.196 17.679 -14.483 1.00 0.00 H new ATOM 0 HA GLU A 62 99.449 17.983 -16.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 100.343 19.679 -14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 101.836 18.912 -14.883 1.00 0.00 H new ATOM 0 HG2 GLU A 62 101.070 19.471 -17.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 99.914 20.555 -16.587 1.00 0.00 H new ATOM 1017 N ILE A 63 102.053 16.930 -16.575 1.00 0.00 N ATOM 1018 CA ILE A 63 103.030 15.838 -16.887 1.00 0.00 C ATOM 1019 C ILE A 63 104.421 16.200 -16.350 1.00 0.00 C ATOM 1020 O ILE A 63 104.712 17.354 -16.095 1.00 0.00 O ATOM 1021 CB ILE A 63 103.049 15.719 -18.421 1.00 0.00 C ATOM 1022 CG1 ILE A 63 103.425 17.065 -19.061 1.00 0.00 C ATOM 1023 CG2 ILE A 63 101.666 15.291 -18.919 1.00 0.00 C ATOM 1024 CD1 ILE A 63 103.741 16.858 -20.544 1.00 0.00 C ATOM 0 H ILE A 63 102.268 17.833 -16.999 1.00 0.00 H new ATOM 0 HA ILE A 63 102.746 14.895 -16.421 1.00 0.00 H new ATOM 0 HB ILE A 63 103.792 14.973 -18.704 1.00 0.00 H new ATOM 0 HG12 ILE A 63 102.605 17.774 -18.949 1.00 0.00 H new ATOM 0 HG13 ILE A 63 104.288 17.493 -18.551 1.00 0.00 H new ATOM 0 HG21 ILE A 63 101.681 15.207 -20.006 1.00 0.00 H new ATOM 0 HG22 ILE A 63 101.405 14.326 -18.484 1.00 0.00 H new ATOM 0 HG23 ILE A 63 100.926 16.035 -18.622 1.00 0.00 H new ATOM 0 HD11 ILE A 63 104.007 17.813 -20.996 1.00 0.00 H new ATOM 0 HD12 ILE A 63 104.575 16.164 -20.645 1.00 0.00 H new ATOM 0 HD13 ILE A 63 102.866 16.449 -21.049 1.00 0.00 H new ATOM 1036 N MET A 64 105.275 15.220 -16.179 1.00 0.00 N ATOM 1037 CA MET A 64 106.642 15.492 -15.640 1.00 0.00 C ATOM 1038 C MET A 64 107.646 15.653 -16.797 1.00 0.00 C ATOM 1039 O MET A 64 107.756 14.772 -17.628 1.00 0.00 O ATOM 1040 CB MET A 64 106.989 14.259 -14.803 1.00 0.00 C ATOM 1041 CG MET A 64 108.127 14.598 -13.840 1.00 0.00 C ATOM 1042 SD MET A 64 108.896 13.069 -13.251 1.00 0.00 S ATOM 1043 CE MET A 64 107.449 12.406 -12.391 1.00 0.00 C ATOM 0 H MET A 64 105.082 14.241 -16.391 1.00 0.00 H new ATOM 0 HA MET A 64 106.680 16.410 -15.053 1.00 0.00 H new ATOM 0 HB2 MET A 64 106.113 13.927 -14.245 1.00 0.00 H new ATOM 0 HB3 MET A 64 107.283 13.436 -15.454 1.00 0.00 H new ATOM 0 HG2 MET A 64 108.868 15.221 -14.341 1.00 0.00 H new ATOM 0 HG3 MET A 64 107.745 15.173 -12.997 1.00 0.00 H new ATOM 0 HE1 MET A 64 107.763 11.621 -11.703 1.00 0.00 H new ATOM 0 HE2 MET A 64 106.960 13.204 -11.833 1.00 0.00 H new ATOM 0 HE3 MET A 64 106.751 11.992 -13.119 1.00 0.00 H new ATOM 1053 N PRO A 65 108.354 16.773 -16.825 1.00 0.00 N ATOM 1054 CA PRO A 65 109.360 17.000 -17.899 1.00 0.00 C ATOM 1055 C PRO A 65 110.537 16.031 -17.737 1.00 0.00 C ATOM 1056 O PRO A 65 110.469 15.084 -16.975 1.00 0.00 O ATOM 1057 CB PRO A 65 109.811 18.446 -17.688 1.00 0.00 C ATOM 1058 CG PRO A 65 109.472 18.764 -16.268 1.00 0.00 C ATOM 1059 CD PRO A 65 108.293 17.910 -15.889 1.00 0.00 C ATOM 0 HA PRO A 65 108.959 16.833 -18.899 1.00 0.00 H new ATOM 0 HB2 PRO A 65 110.880 18.555 -17.871 1.00 0.00 H new ATOM 0 HB3 PRO A 65 109.300 19.121 -18.375 1.00 0.00 H new ATOM 0 HG2 PRO A 65 110.321 18.560 -15.615 1.00 0.00 H new ATOM 0 HG3 PRO A 65 109.232 19.822 -16.157 1.00 0.00 H new ATOM 0 HD2 PRO A 65 108.359 17.577 -14.853 1.00 0.00 H new ATOM 0 HD3 PRO A 65 107.356 18.458 -15.989 1.00 0.00 H new ATOM 1067 N LYS A 66 111.612 16.265 -18.449 1.00 0.00 N ATOM 1068 CA LYS A 66 112.802 15.364 -18.345 1.00 0.00 C ATOM 1069 C LYS A 66 113.730 15.842 -17.225 1.00 0.00 C ATOM 1070 O LYS A 66 113.874 17.029 -16.995 1.00 0.00 O ATOM 1071 CB LYS A 66 113.505 15.461 -19.702 1.00 0.00 C ATOM 1072 CG LYS A 66 112.611 14.857 -20.788 1.00 0.00 C ATOM 1073 CD LYS A 66 113.361 14.854 -22.121 1.00 0.00 C ATOM 1074 CE LYS A 66 112.425 14.371 -23.232 1.00 0.00 C ATOM 1075 NZ LYS A 66 111.634 15.574 -23.618 1.00 0.00 N ATOM 0 H LYS A 66 111.717 17.043 -19.100 1.00 0.00 H new ATOM 0 HA LYS A 66 112.519 14.338 -18.110 1.00 0.00 H new ATOM 0 HB2 LYS A 66 113.725 16.503 -19.935 1.00 0.00 H new ATOM 0 HB3 LYS A 66 114.459 14.934 -19.667 1.00 0.00 H new ATOM 0 HG2 LYS A 66 112.326 13.841 -20.516 1.00 0.00 H new ATOM 0 HG3 LYS A 66 111.690 15.433 -20.878 1.00 0.00 H new ATOM 0 HD2 LYS A 66 113.725 15.856 -22.348 1.00 0.00 H new ATOM 0 HD3 LYS A 66 114.234 14.204 -22.058 1.00 0.00 H new ATOM 0 HE2 LYS A 66 112.987 13.979 -24.080 1.00 0.00 H new ATOM 0 HE3 LYS A 66 111.777 13.568 -22.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 110.633 15.312 -23.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 111.726 16.301 -22.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 111.990 15.949 -24.520 1.00 0.00 H new ATOM 1089 N ASN A 67 114.357 14.924 -16.530 1.00 0.00 N ATOM 1090 CA ASN A 67 115.276 15.312 -15.416 1.00 0.00 C ATOM 1091 C ASN A 67 116.735 15.162 -15.858 1.00 0.00 C ATOM 1092 O ASN A 67 117.105 14.181 -16.477 1.00 0.00 O ATOM 1093 CB ASN A 67 114.957 14.339 -14.279 1.00 0.00 C ATOM 1094 CG ASN A 67 113.540 14.598 -13.761 1.00 0.00 C ATOM 1095 OD1 ASN A 67 113.101 15.730 -13.695 1.00 0.00 O ATOM 1096 ND2 ASN A 67 112.801 13.590 -13.386 1.00 0.00 N ATOM 0 H ASN A 67 114.271 13.920 -16.687 1.00 0.00 H new ATOM 0 HA ASN A 67 115.141 16.350 -15.112 1.00 0.00 H new ATOM 0 HB2 ASN A 67 115.043 13.311 -14.632 1.00 0.00 H new ATOM 0 HB3 ASN A 67 115.678 14.460 -13.471 1.00 0.00 H new ATOM 0 HD21 ASN A 67 111.856 13.752 -13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 67 113.168 12.640 -13.441 1.00 0.00 H new ATOM 1103 N GLY A 68 117.562 16.129 -15.543 1.00 0.00 N ATOM 1104 CA GLY A 68 118.999 16.057 -15.939 1.00 0.00 C ATOM 1105 C GLY A 68 119.837 16.912 -14.986 1.00 0.00 C ATOM 1106 O GLY A 68 119.853 16.683 -13.790 1.00 0.00 O ATOM 0 H GLY A 68 117.300 16.968 -15.026 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.342 15.023 -15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 68 119.123 16.409 -16.963 1.00 0.00 H new ATOM 1110 N THR A 69 120.531 17.895 -15.510 1.00 0.00 N ATOM 1111 CA THR A 69 121.375 18.778 -14.639 1.00 0.00 C ATOM 1112 C THR A 69 120.489 19.593 -13.691 1.00 0.00 C ATOM 1113 O THR A 69 120.842 19.830 -12.550 1.00 0.00 O ATOM 1114 CB THR A 69 122.124 19.705 -15.602 1.00 0.00 C ATOM 1115 OG1 THR A 69 122.747 18.928 -16.615 1.00 0.00 O ATOM 1116 CG2 THR A 69 123.186 20.494 -14.835 1.00 0.00 C ATOM 0 H THR A 69 120.550 18.125 -16.504 1.00 0.00 H new ATOM 0 HA THR A 69 122.061 18.201 -14.018 1.00 0.00 H new ATOM 0 HB THR A 69 121.420 20.401 -16.058 1.00 0.00 H new ATOM 0 HG1 THR A 69 123.225 19.519 -17.233 1.00 0.00 H new ATOM 0 HG21 THR A 69 123.717 21.152 -15.522 1.00 0.00 H new ATOM 0 HG22 THR A 69 122.706 21.090 -14.059 1.00 0.00 H new ATOM 0 HG23 THR A 69 123.893 19.802 -14.376 1.00 0.00 H new ATOM 1124 N LYS A 70 119.341 20.021 -14.159 1.00 0.00 N ATOM 1125 CA LYS A 70 118.419 20.819 -13.294 1.00 0.00 C ATOM 1126 C LYS A 70 117.376 19.904 -12.646 1.00 0.00 C ATOM 1127 O LYS A 70 116.980 18.904 -13.216 1.00 0.00 O ATOM 1128 CB LYS A 70 117.745 21.814 -14.241 1.00 0.00 C ATOM 1129 CG LYS A 70 118.781 22.816 -14.755 1.00 0.00 C ATOM 1130 CD LYS A 70 118.110 23.797 -15.718 1.00 0.00 C ATOM 1131 CE LYS A 70 117.295 24.820 -14.922 1.00 0.00 C ATOM 1132 NZ LYS A 70 118.279 25.861 -14.513 1.00 0.00 N ATOM 0 H LYS A 70 119.003 19.851 -15.106 1.00 0.00 H new ATOM 0 HA LYS A 70 118.947 21.322 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 117.290 21.284 -15.078 1.00 0.00 H new ATOM 0 HB3 LYS A 70 116.943 22.339 -13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 70 119.225 23.357 -13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 70 119.591 22.290 -15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 70 118.864 24.306 -16.319 1.00 0.00 H new ATOM 0 HD3 LYS A 70 117.462 23.258 -16.409 1.00 0.00 H new ATOM 0 HE2 LYS A 70 116.497 25.248 -15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 70 116.823 24.360 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 118.039 26.212 -13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 119.234 25.449 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 118.252 26.649 -15.191 1.00 0.00 H new ATOM 1146 N SER A 71 116.933 20.241 -11.459 1.00 0.00 N ATOM 1147 CA SER A 71 115.921 19.392 -10.759 1.00 0.00 C ATOM 1148 C SER A 71 114.505 19.929 -11.023 1.00 0.00 C ATOM 1149 O SER A 71 114.340 21.101 -11.304 1.00 0.00 O ATOM 1150 CB SER A 71 116.267 19.502 -9.275 1.00 0.00 C ATOM 1151 OG SER A 71 117.474 18.795 -9.021 1.00 0.00 O ATOM 0 H SER A 71 117.230 21.070 -10.944 1.00 0.00 H new ATOM 0 HA SER A 71 115.940 18.359 -11.105 1.00 0.00 H new ATOM 0 HB2 SER A 71 116.379 20.549 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 71 115.458 19.093 -8.670 1.00 0.00 H new ATOM 0 HG SER A 71 117.700 18.865 -8.070 1.00 0.00 H new ATOM 1157 N PRO A 72 113.519 19.055 -10.924 1.00 0.00 N ATOM 1158 CA PRO A 72 112.111 19.473 -11.161 1.00 0.00 C ATOM 1159 C PRO A 72 111.640 20.418 -10.050 1.00 0.00 C ATOM 1160 O PRO A 72 112.141 20.380 -8.941 1.00 0.00 O ATOM 1161 CB PRO A 72 111.324 18.162 -11.131 1.00 0.00 C ATOM 1162 CG PRO A 72 112.188 17.198 -10.380 1.00 0.00 C ATOM 1163 CD PRO A 72 113.615 17.624 -10.590 1.00 0.00 C ATOM 0 HA PRO A 72 111.982 20.014 -12.098 1.00 0.00 H new ATOM 0 HB2 PRO A 72 110.361 18.293 -10.638 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.120 17.803 -12.140 1.00 0.00 H new ATOM 0 HG2 PRO A 72 111.937 17.202 -9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 72 112.033 16.181 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 72 114.215 17.463 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 72 114.085 17.058 -11.394 1.00 0.00 H new ATOM 1171 N SER A 73 110.681 21.262 -10.344 1.00 0.00 N ATOM 1172 CA SER A 73 110.156 22.203 -9.308 1.00 0.00 C ATOM 1173 C SER A 73 108.780 21.738 -8.821 1.00 0.00 C ATOM 1174 O SER A 73 107.940 21.339 -9.607 1.00 0.00 O ATOM 1175 CB SER A 73 110.044 23.552 -10.020 1.00 0.00 C ATOM 1176 OG SER A 73 109.661 24.548 -9.081 1.00 0.00 O ATOM 0 H SER A 73 110.239 21.339 -11.260 1.00 0.00 H new ATOM 0 HA SER A 73 110.802 22.256 -8.432 1.00 0.00 H new ATOM 0 HB2 SER A 73 110.998 23.815 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 73 109.310 23.492 -10.824 1.00 0.00 H new ATOM 0 HG SER A 73 108.760 24.869 -9.294 1.00 0.00 H new ATOM 1182 N THR A 74 108.550 21.788 -7.532 1.00 0.00 N ATOM 1183 CA THR A 74 107.235 21.330 -6.979 1.00 0.00 C ATOM 1184 C THR A 74 106.133 22.331 -7.338 1.00 0.00 C ATOM 1185 O THR A 74 104.999 21.956 -7.575 1.00 0.00 O ATOM 1186 CB THR A 74 107.426 21.267 -5.460 1.00 0.00 C ATOM 1187 OG1 THR A 74 107.888 22.527 -4.991 1.00 0.00 O ATOM 1188 CG2 THR A 74 108.448 20.184 -5.113 1.00 0.00 C ATOM 0 H THR A 74 109.216 22.126 -6.837 1.00 0.00 H new ATOM 0 HA THR A 74 106.938 20.364 -7.387 1.00 0.00 H new ATOM 0 HB THR A 74 106.475 21.027 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 74 108.009 22.490 -4.019 1.00 0.00 H new ATOM 0 HG21 THR A 74 108.581 20.142 -4.032 1.00 0.00 H new ATOM 0 HG22 THR A 74 108.091 19.219 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 74 109.401 20.418 -5.587 1.00 0.00 H new ATOM 1196 N ASN A 75 106.461 23.600 -7.379 1.00 0.00 N ATOM 1197 CA ASN A 75 105.439 24.640 -7.715 1.00 0.00 C ATOM 1198 C ASN A 75 105.856 25.405 -8.973 1.00 0.00 C ATOM 1199 O ASN A 75 106.829 26.137 -8.969 1.00 0.00 O ATOM 1200 CB ASN A 75 105.409 25.575 -6.505 1.00 0.00 C ATOM 1201 CG ASN A 75 104.859 24.826 -5.287 1.00 0.00 C ATOM 1202 OD1 ASN A 75 103.963 24.014 -5.412 1.00 0.00 O ATOM 1203 ND2 ASN A 75 105.361 25.067 -4.107 1.00 0.00 N ATOM 0 H ASN A 75 107.397 23.961 -7.193 1.00 0.00 H new ATOM 0 HA ASN A 75 104.460 24.205 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 75 106.412 25.945 -6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 75 104.788 26.444 -6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 75 105.002 24.574 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 75 106.113 25.748 -4.002 1.00 0.00 H new ATOM 1210 N SER A 76 105.124 25.239 -10.050 1.00 0.00 N ATOM 1211 CA SER A 76 105.444 25.978 -11.309 1.00 0.00 C ATOM 1212 C SER A 76 104.211 26.740 -11.801 1.00 0.00 C ATOM 1213 O SER A 76 103.099 26.247 -11.726 1.00 0.00 O ATOM 1214 CB SER A 76 105.840 24.896 -12.312 1.00 0.00 C ATOM 1215 OG SER A 76 106.948 24.166 -11.803 1.00 0.00 O ATOM 0 H SER A 76 104.315 24.620 -10.109 1.00 0.00 H new ATOM 0 HA SER A 76 106.237 26.713 -11.168 1.00 0.00 H new ATOM 0 HB2 SER A 76 105.000 24.225 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 76 106.097 25.348 -13.270 1.00 0.00 H new ATOM 0 HG SER A 76 107.203 23.470 -12.444 1.00 0.00 H new ATOM 1221 N THR A 77 104.400 27.937 -12.302 1.00 0.00 N ATOM 1222 CA THR A 77 103.244 28.741 -12.805 1.00 0.00 C ATOM 1223 C THR A 77 103.570 29.333 -14.179 1.00 0.00 C ATOM 1224 O THR A 77 104.626 29.902 -14.383 1.00 0.00 O ATOM 1225 CB THR A 77 103.055 29.852 -11.771 1.00 0.00 C ATOM 1226 OG1 THR A 77 102.992 29.281 -10.472 1.00 0.00 O ATOM 1227 CG2 THR A 77 101.757 30.609 -12.061 1.00 0.00 C ATOM 0 H THR A 77 105.309 28.393 -12.384 1.00 0.00 H new ATOM 0 HA THR A 77 102.343 28.140 -12.925 1.00 0.00 H new ATOM 0 HB THR A 77 103.895 30.544 -11.825 1.00 0.00 H new ATOM 0 HG1 THR A 77 102.872 29.992 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 77 101.624 31.400 -11.323 1.00 0.00 H new ATOM 0 HG22 THR A 77 101.806 31.047 -13.058 1.00 0.00 H new ATOM 0 HG23 THR A 77 100.914 29.920 -12.009 1.00 0.00 H new ATOM 1235 N LYS A 78 102.661 29.203 -15.125 1.00 0.00 N ATOM 1236 CA LYS A 78 102.870 29.787 -16.498 1.00 0.00 C ATOM 1237 C LYS A 78 104.207 29.321 -17.097 1.00 0.00 C ATOM 1238 O LYS A 78 104.919 30.089 -17.720 1.00 0.00 O ATOM 1239 CB LYS A 78 102.862 31.309 -16.305 1.00 0.00 C ATOM 1240 CG LYS A 78 101.480 31.761 -15.824 1.00 0.00 C ATOM 1241 CD LYS A 78 101.439 33.288 -15.750 1.00 0.00 C ATOM 1242 CE LYS A 78 100.112 33.734 -15.134 1.00 0.00 C ATOM 1243 NZ LYS A 78 99.107 33.573 -16.222 1.00 0.00 N ATOM 0 H LYS A 78 101.775 28.713 -15.003 1.00 0.00 H new ATOM 0 HA LYS A 78 102.093 29.464 -17.191 1.00 0.00 H new ATOM 0 HB2 LYS A 78 103.623 31.597 -15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 78 103.112 31.806 -17.243 1.00 0.00 H new ATOM 0 HG2 LYS A 78 100.710 31.399 -16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 78 101.266 31.333 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 78 102.272 33.656 -15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 78 101.551 33.714 -16.747 1.00 0.00 H new ATOM 0 HE2 LYS A 78 99.855 33.126 -14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 78 100.163 34.768 -14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 98.476 34.400 -16.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 99.595 33.494 -17.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 98.547 32.713 -16.053 1.00 0.00 H new ATOM 1257 N LEU A 79 104.545 28.069 -16.910 1.00 0.00 N ATOM 1258 CA LEU A 79 105.835 27.543 -17.456 1.00 0.00 C ATOM 1259 C LEU A 79 105.592 26.831 -18.789 1.00 0.00 C ATOM 1260 O LEU A 79 104.837 25.879 -18.865 1.00 0.00 O ATOM 1261 CB LEU A 79 106.338 26.556 -16.400 1.00 0.00 C ATOM 1262 CG LEU A 79 107.762 26.116 -16.747 1.00 0.00 C ATOM 1263 CD1 LEU A 79 108.734 27.264 -16.471 1.00 0.00 C ATOM 1264 CD2 LEU A 79 108.144 24.908 -15.890 1.00 0.00 C ATOM 0 H LEU A 79 103.982 27.387 -16.402 1.00 0.00 H new ATOM 0 HA LEU A 79 106.558 28.336 -17.648 1.00 0.00 H new ATOM 0 HB2 LEU A 79 106.320 27.021 -15.415 1.00 0.00 H new ATOM 0 HB3 LEU A 79 105.679 25.689 -16.355 1.00 0.00 H new ATOM 0 HG LEU A 79 107.811 25.845 -17.802 1.00 0.00 H new ATOM 0 HD11 LEU A 79 109.748 26.950 -16.718 1.00 0.00 H new ATOM 0 HD12 LEU A 79 108.462 28.126 -17.081 1.00 0.00 H new ATOM 0 HD13 LEU A 79 108.686 27.536 -15.417 1.00 0.00 H new ATOM 0 HD21 LEU A 79 109.158 24.593 -16.136 1.00 0.00 H new ATOM 0 HD22 LEU A 79 108.094 25.180 -14.836 1.00 0.00 H new ATOM 0 HD23 LEU A 79 107.452 24.089 -16.087 1.00 0.00 H new ATOM 1276 N LYS A 80 106.233 27.287 -19.840 1.00 0.00 N ATOM 1277 CA LYS A 80 106.060 26.639 -21.175 1.00 0.00 C ATOM 1278 C LYS A 80 107.390 26.633 -21.934 1.00 0.00 C ATOM 1279 O LYS A 80 108.123 27.605 -21.920 1.00 0.00 O ATOM 1280 CB LYS A 80 105.028 27.500 -21.904 1.00 0.00 C ATOM 1281 CG LYS A 80 104.504 26.746 -23.127 1.00 0.00 C ATOM 1282 CD LYS A 80 103.743 27.712 -24.038 1.00 0.00 C ATOM 1283 CE LYS A 80 102.403 28.075 -23.394 1.00 0.00 C ATOM 1284 NZ LYS A 80 101.779 29.049 -24.332 1.00 0.00 N ATOM 0 H LYS A 80 106.870 28.083 -19.828 1.00 0.00 H new ATOM 0 HA LYS A 80 105.737 25.601 -21.093 1.00 0.00 H new ATOM 0 HB2 LYS A 80 104.204 27.744 -21.234 1.00 0.00 H new ATOM 0 HB3 LYS A 80 105.479 28.444 -22.211 1.00 0.00 H new ATOM 0 HG2 LYS A 80 105.333 26.294 -23.671 1.00 0.00 H new ATOM 0 HG3 LYS A 80 103.849 25.934 -22.813 1.00 0.00 H new ATOM 0 HD2 LYS A 80 104.334 28.613 -24.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 103.577 27.254 -25.013 1.00 0.00 H new ATOM 0 HE2 LYS A 80 101.775 27.193 -23.264 1.00 0.00 H new ATOM 0 HE3 LYS A 80 102.545 28.513 -22.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 100.754 29.089 -24.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 102.193 29.991 -24.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 101.953 28.748 -25.312 1.00 0.00 H new ATOM 1298 N SER A 81 107.703 25.543 -22.595 1.00 0.00 N ATOM 1299 CA SER A 81 108.995 25.460 -23.355 1.00 0.00 C ATOM 1300 C SER A 81 108.990 26.448 -24.527 1.00 0.00 C ATOM 1301 O SER A 81 110.016 26.987 -24.897 1.00 0.00 O ATOM 1302 CB SER A 81 109.074 24.021 -23.869 1.00 0.00 C ATOM 1303 OG SER A 81 108.056 23.813 -24.840 1.00 0.00 O ATOM 0 H SER A 81 107.121 24.707 -22.642 1.00 0.00 H new ATOM 0 HA SER A 81 109.851 25.713 -22.729 1.00 0.00 H new ATOM 0 HB2 SER A 81 110.054 23.832 -24.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 108.953 23.320 -23.043 1.00 0.00 H new ATOM 0 HG SER A 81 108.105 22.893 -25.173 1.00 0.00 H new ATOM 1309 N ALA A 82 107.839 26.684 -25.112 1.00 0.00 N ATOM 1310 CA ALA A 82 107.753 27.652 -26.254 1.00 0.00 C ATOM 1311 C ALA A 82 108.011 29.079 -25.761 1.00 0.00 C ATOM 1312 O ALA A 82 108.567 29.897 -26.471 1.00 0.00 O ATOM 1313 CB ALA A 82 106.326 27.521 -26.792 1.00 0.00 C ATOM 0 H ALA A 82 106.955 26.248 -24.848 1.00 0.00 H new ATOM 0 HA ALA A 82 108.496 27.441 -27.023 1.00 0.00 H new ATOM 0 HB1 ALA A 82 106.190 28.202 -27.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 106.155 26.497 -27.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 105.616 27.770 -26.004 1.00 0.00 H new ATOM 1319 N GLU A 83 107.610 29.380 -24.549 1.00 0.00 N ATOM 1320 CA GLU A 83 107.821 30.754 -23.997 1.00 0.00 C ATOM 1321 C GLU A 83 108.966 30.746 -22.980 1.00 0.00 C ATOM 1322 O GLU A 83 109.555 29.717 -22.714 1.00 0.00 O ATOM 1323 CB GLU A 83 106.501 31.118 -23.317 1.00 0.00 C ATOM 1324 CG GLU A 83 105.402 31.262 -24.373 1.00 0.00 C ATOM 1325 CD GLU A 83 104.103 31.711 -23.700 1.00 0.00 C ATOM 1326 OE1 GLU A 83 103.474 30.884 -23.059 1.00 0.00 O ATOM 1327 OE2 GLU A 83 103.759 32.873 -23.837 1.00 0.00 O ATOM 0 H GLU A 83 107.144 28.730 -23.916 1.00 0.00 H new ATOM 0 HA GLU A 83 108.090 31.472 -24.772 1.00 0.00 H new ATOM 0 HB2 GLU A 83 106.227 30.348 -22.596 1.00 0.00 H new ATOM 0 HB3 GLU A 83 106.611 32.050 -22.762 1.00 0.00 H new ATOM 0 HG2 GLU A 83 105.702 31.988 -25.129 1.00 0.00 H new ATOM 0 HG3 GLU A 83 105.249 30.312 -24.886 1.00 0.00 H new ATOM 1334 N THR A 84 109.273 31.894 -22.410 1.00 0.00 N ATOM 1335 CA THR A 84 110.422 32.023 -21.444 1.00 0.00 C ATOM 1336 C THR A 84 111.760 31.744 -22.144 1.00 0.00 C ATOM 1337 O THR A 84 112.571 32.636 -22.311 1.00 0.00 O ATOM 1338 CB THR A 84 110.168 31.008 -20.315 1.00 0.00 C ATOM 1339 OG1 THR A 84 108.791 31.018 -19.969 1.00 0.00 O ATOM 1340 CG2 THR A 84 111.004 31.388 -19.092 1.00 0.00 C ATOM 0 H THR A 84 108.766 32.763 -22.577 1.00 0.00 H new ATOM 0 HA THR A 84 110.484 33.036 -21.047 1.00 0.00 H new ATOM 0 HB THR A 84 110.449 30.011 -20.653 1.00 0.00 H new ATOM 0 HG1 THR A 84 108.629 30.370 -19.251 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.825 30.670 -18.292 1.00 0.00 H new ATOM 0 HG22 THR A 84 112.061 31.380 -19.357 1.00 0.00 H new ATOM 0 HG23 THR A 84 110.722 32.385 -18.754 1.00 0.00 H new ATOM 1348 N TYR A 85 111.997 30.520 -22.554 1.00 0.00 N ATOM 1349 CA TYR A 85 113.291 30.182 -23.222 1.00 0.00 C ATOM 1350 C TYR A 85 113.052 29.211 -24.385 1.00 0.00 C ATOM 1351 O TYR A 85 112.021 28.569 -24.464 1.00 0.00 O ATOM 1352 CB TYR A 85 114.145 29.531 -22.130 1.00 0.00 C ATOM 1353 CG TYR A 85 113.549 28.263 -21.558 1.00 0.00 C ATOM 1354 CD1 TYR A 85 112.604 28.337 -20.506 1.00 0.00 C ATOM 1355 CD2 TYR A 85 113.936 27.003 -22.076 1.00 0.00 C ATOM 1356 CE1 TYR A 85 112.046 27.149 -19.971 1.00 0.00 C ATOM 1357 CE2 TYR A 85 113.378 25.816 -21.541 1.00 0.00 C ATOM 1358 CZ TYR A 85 112.433 25.890 -20.488 1.00 0.00 C ATOM 1359 OH TYR A 85 111.890 24.733 -19.968 1.00 0.00 O ATOM 0 H TYR A 85 111.347 29.740 -22.454 1.00 0.00 H new ATOM 0 HA TYR A 85 113.780 31.059 -23.645 1.00 0.00 H new ATOM 0 HB2 TYR A 85 115.130 29.305 -22.539 1.00 0.00 H new ATOM 0 HB3 TYR A 85 114.292 30.248 -21.322 1.00 0.00 H new ATOM 0 HD1 TYR A 85 112.309 29.298 -20.112 1.00 0.00 H new ATOM 0 HD2 TYR A 85 114.656 26.947 -22.879 1.00 0.00 H new ATOM 0 HE1 TYR A 85 111.325 27.205 -19.169 1.00 0.00 H new ATOM 0 HE2 TYR A 85 113.673 24.855 -21.936 1.00 0.00 H new ATOM 0 HH TYR A 85 112.263 23.957 -20.437 1.00 0.00 H new ATOM 1369 N SER A 86 114.002 29.103 -25.283 1.00 0.00 N ATOM 1370 CA SER A 86 113.843 28.181 -26.449 1.00 0.00 C ATOM 1371 C SER A 86 115.184 27.523 -26.788 1.00 0.00 C ATOM 1372 O SER A 86 116.237 28.077 -26.533 1.00 0.00 O ATOM 1373 CB SER A 86 113.379 29.074 -27.599 1.00 0.00 C ATOM 1374 OG SER A 86 113.086 28.267 -28.731 1.00 0.00 O ATOM 0 H SER A 86 114.883 29.616 -25.257 1.00 0.00 H new ATOM 0 HA SER A 86 113.136 27.377 -26.247 1.00 0.00 H new ATOM 0 HB2 SER A 86 112.495 29.639 -27.302 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.153 29.800 -27.846 1.00 0.00 H new ATOM 0 HG SER A 86 112.786 28.837 -29.470 1.00 0.00 H new ATOM 1380 N SER A 87 115.148 26.345 -27.363 1.00 0.00 N ATOM 1381 CA SER A 87 116.414 25.639 -27.730 1.00 0.00 C ATOM 1382 C SER A 87 116.565 25.580 -29.252 1.00 0.00 C ATOM 1383 O SER A 87 115.591 25.471 -29.975 1.00 0.00 O ATOM 1384 CB SER A 87 116.263 24.232 -27.152 1.00 0.00 C ATOM 1385 OG SER A 87 115.191 23.567 -27.807 1.00 0.00 O ATOM 0 H SER A 87 114.292 25.841 -27.594 1.00 0.00 H new ATOM 0 HA SER A 87 117.297 26.147 -27.343 1.00 0.00 H new ATOM 0 HB2 SER A 87 117.188 23.671 -27.284 1.00 0.00 H new ATOM 0 HB3 SER A 87 116.072 24.285 -26.080 1.00 0.00 H new ATOM 0 HG SER A 87 114.883 22.819 -27.253 1.00 0.00 H new ATOM 1391 N LYS A 88 117.780 25.652 -29.739 1.00 0.00 N ATOM 1392 CA LYS A 88 118.009 25.614 -31.216 1.00 0.00 C ATOM 1393 C LYS A 88 118.457 24.214 -31.647 1.00 0.00 C ATOM 1394 O LYS A 88 118.098 23.741 -32.710 1.00 0.00 O ATOM 1395 CB LYS A 88 119.120 26.634 -31.472 1.00 0.00 C ATOM 1396 CG LYS A 88 118.597 28.044 -31.182 1.00 0.00 C ATOM 1397 CD LYS A 88 119.677 29.071 -31.528 1.00 0.00 C ATOM 1398 CE LYS A 88 119.209 30.466 -31.108 1.00 0.00 C ATOM 1399 NZ LYS A 88 120.461 31.234 -30.862 1.00 0.00 N ATOM 0 H LYS A 88 118.625 25.736 -29.174 1.00 0.00 H new ATOM 0 HA LYS A 88 117.105 25.846 -31.779 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.980 26.417 -30.839 1.00 0.00 H new ATOM 0 HB3 LYS A 88 119.459 26.566 -32.506 1.00 0.00 H new ATOM 0 HG2 LYS A 88 117.697 28.237 -31.766 1.00 0.00 H new ATOM 0 HG3 LYS A 88 118.320 28.132 -30.131 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.608 28.820 -31.020 1.00 0.00 H new ATOM 0 HD3 LYS A 88 119.882 29.052 -32.598 1.00 0.00 H new ATOM 0 HE2 LYS A 88 118.607 30.932 -31.888 1.00 0.00 H new ATOM 0 HE3 LYS A 88 118.590 30.422 -30.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 120.222 32.203 -30.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.010 30.771 -30.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 121.026 31.265 -31.734 1.00 0.00 H new ATOM 1413 N ASN A 89 119.239 23.552 -30.827 1.00 0.00 N ATOM 1414 CA ASN A 89 119.738 22.184 -31.190 1.00 0.00 C ATOM 1415 C ASN A 89 118.572 21.195 -31.284 1.00 0.00 C ATOM 1416 O ASN A 89 118.579 20.292 -32.101 1.00 0.00 O ATOM 1417 CB ASN A 89 120.688 21.782 -30.057 1.00 0.00 C ATOM 1418 CG ASN A 89 121.915 22.696 -30.068 1.00 0.00 C ATOM 1419 OD1 ASN A 89 122.263 23.278 -29.059 1.00 0.00 O ATOM 1420 ND2 ASN A 89 122.591 22.848 -31.174 1.00 0.00 N ATOM 0 H ASN A 89 119.554 23.899 -29.921 1.00 0.00 H new ATOM 0 HA ASN A 89 120.237 22.180 -32.159 1.00 0.00 H new ATOM 0 HB2 ASN A 89 120.177 21.854 -29.097 1.00 0.00 H new ATOM 0 HB3 ASN A 89 120.995 20.743 -30.177 1.00 0.00 H new ATOM 0 HD21 ASN A 89 123.411 23.455 -31.191 1.00 0.00 H new ATOM 0 HD22 ASN A 89 122.300 22.360 -32.021 1.00 0.00 H new ATOM 1427 N LYS A 90 117.572 21.361 -30.452 1.00 0.00 N ATOM 1428 CA LYS A 90 116.401 20.432 -30.478 1.00 0.00 C ATOM 1429 C LYS A 90 115.263 21.037 -31.306 1.00 0.00 C ATOM 1430 O LYS A 90 114.964 22.212 -31.196 1.00 0.00 O ATOM 1431 CB LYS A 90 115.979 20.281 -29.015 1.00 0.00 C ATOM 1432 CG LYS A 90 117.070 19.541 -28.239 1.00 0.00 C ATOM 1433 CD LYS A 90 116.601 19.299 -26.803 1.00 0.00 C ATOM 1434 CE LYS A 90 117.738 18.672 -25.993 1.00 0.00 C ATOM 1435 NZ LYS A 90 117.672 17.217 -26.300 1.00 0.00 N ATOM 0 H LYS A 90 117.517 22.103 -29.754 1.00 0.00 H new ATOM 0 HA LYS A 90 116.647 19.472 -30.931 1.00 0.00 H new ATOM 0 HB2 LYS A 90 115.806 21.262 -28.573 1.00 0.00 H new ATOM 0 HB3 LYS A 90 115.039 19.733 -28.952 1.00 0.00 H new ATOM 0 HG2 LYS A 90 117.295 18.591 -28.724 1.00 0.00 H new ATOM 0 HG3 LYS A 90 117.990 20.125 -28.239 1.00 0.00 H new ATOM 0 HD2 LYS A 90 116.291 20.239 -26.347 1.00 0.00 H new ATOM 0 HD3 LYS A 90 115.732 18.641 -26.799 1.00 0.00 H new ATOM 0 HE2 LYS A 90 118.703 19.092 -26.277 1.00 0.00 H new ATOM 0 HE3 LYS A 90 117.611 18.857 -24.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 118.366 16.707 -25.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 116.717 16.861 -26.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 117.887 17.064 -27.306 1.00 0.00 H new ATOM 1449 N TRP A 91 114.630 20.238 -32.132 1.00 0.00 N ATOM 1450 CA TRP A 91 113.504 20.750 -32.972 1.00 0.00 C ATOM 1451 C TRP A 91 112.235 19.934 -32.705 1.00 0.00 C ATOM 1452 O TRP A 91 112.032 18.882 -33.283 1.00 0.00 O ATOM 1453 CB TRP A 91 113.974 20.559 -34.415 1.00 0.00 C ATOM 1454 CG TRP A 91 113.208 21.375 -35.407 1.00 0.00 C ATOM 1455 CD1 TRP A 91 112.330 20.877 -36.311 1.00 0.00 C ATOM 1456 CD2 TRP A 91 113.234 22.817 -35.612 1.00 0.00 C ATOM 1457 NE1 TRP A 91 111.814 21.919 -37.062 1.00 0.00 N ATOM 1458 CE2 TRP A 91 112.336 23.137 -36.675 1.00 0.00 C ATOM 1459 CE3 TRP A 91 113.945 23.879 -34.986 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 112.146 24.467 -37.105 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 113.757 25.219 -35.418 1.00 0.00 C ATOM 1462 CH2 TRP A 91 112.859 25.512 -36.474 1.00 0.00 C ATOM 0 H TRP A 91 114.847 19.250 -32.260 1.00 0.00 H new ATOM 0 HA TRP A 91 113.262 21.791 -32.756 1.00 0.00 H new ATOM 0 HB2 TRP A 91 115.030 20.819 -34.482 1.00 0.00 H new ATOM 0 HB3 TRP A 91 113.888 19.505 -34.680 1.00 0.00 H new ATOM 0 HD1 TRP A 91 112.074 19.834 -36.427 1.00 0.00 H new ATOM 0 HE1 TRP A 91 111.131 21.801 -37.810 1.00 0.00 H new ATOM 0 HE3 TRP A 91 114.630 23.665 -34.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 111.461 24.685 -37.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 114.302 26.019 -34.939 1.00 0.00 H new ATOM 0 HH2 TRP A 91 112.719 26.533 -36.797 1.00 0.00 H new ATOM 1473 N SER A 92 111.384 20.415 -31.831 1.00 0.00 N ATOM 1474 CA SER A 92 110.138 19.657 -31.490 1.00 0.00 C ATOM 1475 C SER A 92 108.993 20.056 -32.427 1.00 0.00 C ATOM 1476 O SER A 92 108.136 19.252 -32.743 1.00 0.00 O ATOM 1477 CB SER A 92 109.812 20.050 -30.049 1.00 0.00 C ATOM 1478 OG SER A 92 109.436 21.419 -30.008 1.00 0.00 O ATOM 0 H SER A 92 111.498 21.301 -31.338 1.00 0.00 H new ATOM 0 HA SER A 92 110.273 18.581 -31.599 1.00 0.00 H new ATOM 0 HB2 SER A 92 109.004 19.428 -29.664 1.00 0.00 H new ATOM 0 HB3 SER A 92 110.678 19.880 -29.409 1.00 0.00 H new ATOM 0 HG SER A 92 109.225 21.673 -29.085 1.00 0.00 H new ATOM 1484 N MET A 93 108.975 21.291 -32.870 1.00 0.00 N ATOM 1485 CA MET A 93 107.872 21.760 -33.766 1.00 0.00 C ATOM 1486 C MET A 93 108.444 22.247 -35.101 1.00 0.00 C ATOM 1487 O MET A 93 109.553 22.745 -35.165 1.00 0.00 O ATOM 1488 CB MET A 93 107.213 22.917 -33.011 1.00 0.00 C ATOM 1489 CG MET A 93 106.519 22.385 -31.752 1.00 0.00 C ATOM 1490 SD MET A 93 105.044 21.444 -32.219 1.00 0.00 S ATOM 1491 CE MET A 93 104.100 22.827 -32.906 1.00 0.00 C ATOM 0 H MET A 93 109.679 21.995 -32.649 1.00 0.00 H new ATOM 0 HA MET A 93 107.162 20.966 -33.996 1.00 0.00 H new ATOM 0 HB2 MET A 93 107.963 23.660 -32.738 1.00 0.00 H new ATOM 0 HB3 MET A 93 106.488 23.417 -33.653 1.00 0.00 H new ATOM 0 HG2 MET A 93 107.203 21.751 -31.188 1.00 0.00 H new ATOM 0 HG3 MET A 93 106.242 23.214 -31.100 1.00 0.00 H new ATOM 0 HE1 MET A 93 103.039 22.678 -32.707 1.00 0.00 H new ATOM 0 HE2 MET A 93 104.429 23.757 -32.443 1.00 0.00 H new ATOM 0 HE3 MET A 93 104.263 22.880 -33.982 1.00 0.00 H new ATOM 1501 N ASP A 94 107.689 22.105 -36.164 1.00 0.00 N ATOM 1502 CA ASP A 94 108.169 22.566 -37.503 1.00 0.00 C ATOM 1503 C ASP A 94 107.670 23.987 -37.782 1.00 0.00 C ATOM 1504 O ASP A 94 106.508 24.293 -37.590 1.00 0.00 O ATOM 1505 CB ASP A 94 107.566 21.579 -38.504 1.00 0.00 C ATOM 1506 CG ASP A 94 108.167 21.820 -39.891 1.00 0.00 C ATOM 1507 OD1 ASP A 94 109.370 22.013 -39.971 1.00 0.00 O ATOM 1508 OD2 ASP A 94 107.415 21.806 -40.851 1.00 0.00 O ATOM 0 H ASP A 94 106.758 21.688 -36.161 1.00 0.00 H new ATOM 0 HA ASP A 94 109.257 22.593 -37.565 1.00 0.00 H new ATOM 0 HB2 ASP A 94 107.763 20.556 -38.184 1.00 0.00 H new ATOM 0 HB3 ASP A 94 106.483 21.699 -38.540 1.00 0.00 H new ATOM 1513 N CYS A 95 108.545 24.854 -38.233 1.00 0.00 N ATOM 1514 CA CYS A 95 108.134 26.263 -38.529 1.00 0.00 C ATOM 1515 C CYS A 95 109.149 26.929 -39.466 1.00 0.00 C ATOM 1516 O CYS A 95 109.397 28.118 -39.379 1.00 0.00 O ATOM 1517 CB CYS A 95 108.086 26.976 -37.165 1.00 0.00 C ATOM 1518 SG CYS A 95 109.702 26.902 -36.334 1.00 0.00 S ATOM 0 H CYS A 95 109.528 24.646 -38.409 1.00 0.00 H new ATOM 0 HA CYS A 95 107.169 26.310 -39.033 1.00 0.00 H new ATOM 0 HB2 CYS A 95 107.792 28.016 -37.305 1.00 0.00 H new ATOM 0 HB3 CYS A 95 107.327 26.512 -36.535 1.00 0.00 H new ATOM 0 HG CYS A 95 110.416 25.951 -36.858 1.00 0.00 H new ATOM 1524 N ASP A 96 109.733 26.167 -40.359 1.00 0.00 N ATOM 1525 CA ASP A 96 110.736 26.742 -41.308 1.00 0.00 C ATOM 1526 C ASP A 96 110.493 26.207 -42.722 1.00 0.00 C ATOM 1527 O ASP A 96 110.321 25.018 -42.922 1.00 0.00 O ATOM 1528 CB ASP A 96 112.093 26.271 -40.780 1.00 0.00 C ATOM 1529 CG ASP A 96 113.214 26.978 -41.545 1.00 0.00 C ATOM 1530 OD1 ASP A 96 113.549 28.089 -41.171 1.00 0.00 O ATOM 1531 OD2 ASP A 96 113.718 26.396 -42.491 1.00 0.00 O ATOM 0 H ASP A 96 109.557 25.169 -40.471 1.00 0.00 H new ATOM 0 HA ASP A 96 110.676 27.829 -41.366 1.00 0.00 H new ATOM 0 HB2 ASP A 96 112.174 26.486 -39.714 1.00 0.00 H new ATOM 0 HB3 ASP A 96 112.185 25.191 -40.896 1.00 0.00 H new ATOM 1536 N GLU A 97 110.478 27.079 -43.701 1.00 0.00 N ATOM 1537 CA GLU A 97 110.252 26.635 -45.110 1.00 0.00 C ATOM 1538 C GLU A 97 111.540 26.800 -45.925 1.00 0.00 C ATOM 1539 O GLU A 97 112.297 27.730 -45.719 1.00 0.00 O ATOM 1540 CB GLU A 97 109.155 27.558 -45.644 1.00 0.00 C ATOM 1541 CG GLU A 97 108.694 27.066 -47.019 1.00 0.00 C ATOM 1542 CD GLU A 97 107.688 28.058 -47.609 1.00 0.00 C ATOM 1543 OE1 GLU A 97 107.927 29.250 -47.503 1.00 0.00 O ATOM 1544 OE2 GLU A 97 106.695 27.608 -48.156 1.00 0.00 O ATOM 0 H GLU A 97 110.613 28.083 -43.583 1.00 0.00 H new ATOM 0 HA GLU A 97 109.966 25.585 -45.175 1.00 0.00 H new ATOM 0 HB2 GLU A 97 108.313 27.577 -44.952 1.00 0.00 H new ATOM 0 HB3 GLU A 97 109.529 28.579 -45.719 1.00 0.00 H new ATOM 0 HG2 GLU A 97 109.551 26.962 -47.685 1.00 0.00 H new ATOM 0 HG3 GLU A 97 108.238 26.080 -46.929 1.00 0.00 H new ATOM 1551 N GLU A 98 111.787 25.902 -46.848 1.00 0.00 N ATOM 1552 CA GLU A 98 113.022 25.993 -47.685 1.00 0.00 C ATOM 1553 C GLU A 98 112.681 26.554 -49.069 1.00 0.00 C ATOM 1554 O GLU A 98 111.562 26.437 -49.533 1.00 0.00 O ATOM 1555 CB GLU A 98 113.534 24.555 -47.799 1.00 0.00 C ATOM 1556 CG GLU A 98 113.991 24.056 -46.423 1.00 0.00 C ATOM 1557 CD GLU A 98 115.258 24.802 -45.993 1.00 0.00 C ATOM 1558 OE1 GLU A 98 115.347 25.153 -44.828 1.00 0.00 O ATOM 1559 OE2 GLU A 98 116.118 25.006 -46.835 1.00 0.00 O ATOM 0 H GLU A 98 111.183 25.107 -47.057 1.00 0.00 H new ATOM 0 HA GLU A 98 113.769 26.656 -47.248 1.00 0.00 H new ATOM 0 HB2 GLU A 98 112.747 23.909 -48.187 1.00 0.00 H new ATOM 0 HB3 GLU A 98 114.362 24.509 -48.506 1.00 0.00 H new ATOM 0 HG2 GLU A 98 113.200 24.211 -45.689 1.00 0.00 H new ATOM 0 HG3 GLU A 98 114.185 22.984 -46.461 1.00 0.00 H new ATOM 1566 N PHE A 99 113.640 27.160 -49.726 1.00 0.00 N ATOM 1567 CA PHE A 99 113.382 27.743 -51.078 1.00 0.00 C ATOM 1568 C PHE A 99 113.960 26.834 -52.166 1.00 0.00 C ATOM 1569 O PHE A 99 115.120 26.467 -52.125 1.00 0.00 O ATOM 1570 CB PHE A 99 114.100 29.092 -51.071 1.00 0.00 C ATOM 1571 CG PHE A 99 113.556 30.060 -50.048 1.00 0.00 C ATOM 1572 CD1 PHE A 99 114.166 30.161 -48.773 1.00 0.00 C ATOM 1573 CD2 PHE A 99 112.436 30.868 -50.362 1.00 0.00 C ATOM 1574 CE1 PHE A 99 113.656 31.070 -47.813 1.00 0.00 C ATOM 1575 CE2 PHE A 99 111.926 31.777 -49.402 1.00 0.00 C ATOM 1576 CZ PHE A 99 112.536 31.878 -48.128 1.00 0.00 C ATOM 0 H PHE A 99 114.593 27.276 -49.382 1.00 0.00 H new ATOM 0 HA PHE A 99 112.317 27.848 -51.285 1.00 0.00 H new ATOM 0 HB2 PHE A 99 115.160 28.929 -50.877 1.00 0.00 H new ATOM 0 HB3 PHE A 99 114.022 29.541 -52.061 1.00 0.00 H new ATOM 0 HD1 PHE A 99 115.020 29.545 -48.533 1.00 0.00 H new ATOM 0 HD2 PHE A 99 111.970 30.791 -51.333 1.00 0.00 H new ATOM 0 HE1 PHE A 99 114.121 31.147 -46.841 1.00 0.00 H new ATOM 0 HE2 PHE A 99 111.072 32.393 -49.642 1.00 0.00 H new ATOM 0 HZ PHE A 99 112.147 32.571 -47.397 1.00 0.00 H new ATOM 1586 N ASP A 100 113.155 26.469 -53.136 1.00 0.00 N ATOM 1587 CA ASP A 100 113.652 25.597 -54.248 1.00 0.00 C ATOM 1588 C ASP A 100 113.320 26.219 -55.613 1.00 0.00 C ATOM 1589 O ASP A 100 114.112 26.157 -56.537 1.00 0.00 O ATOM 1590 CB ASP A 100 112.938 24.248 -54.064 1.00 0.00 C ATOM 1591 CG ASP A 100 111.415 24.422 -54.138 1.00 0.00 C ATOM 1592 OD1 ASP A 100 110.815 23.828 -55.017 1.00 0.00 O ATOM 1593 OD2 ASP A 100 110.879 25.144 -53.313 1.00 0.00 O ATOM 0 H ASP A 100 112.174 26.738 -53.205 1.00 0.00 H new ATOM 0 HA ASP A 100 114.735 25.480 -54.220 1.00 0.00 H new ATOM 0 HB2 ASP A 100 113.266 23.550 -54.834 1.00 0.00 H new ATOM 0 HB3 ASP A 100 113.213 23.814 -53.102 1.00 0.00 H new ATOM 1598 N PHE A 101 112.158 26.815 -55.745 1.00 0.00 N ATOM 1599 CA PHE A 101 111.791 27.481 -57.033 1.00 0.00 C ATOM 1600 C PHE A 101 112.020 28.991 -56.932 1.00 0.00 C ATOM 1601 O PHE A 101 111.597 29.627 -55.984 1.00 0.00 O ATOM 1602 CB PHE A 101 110.304 27.178 -57.233 1.00 0.00 C ATOM 1603 CG PHE A 101 109.999 25.709 -57.421 1.00 0.00 C ATOM 1604 CD1 PHE A 101 110.753 24.935 -58.340 1.00 0.00 C ATOM 1605 CD2 PHE A 101 108.953 25.105 -56.681 1.00 0.00 C ATOM 1606 CE1 PHE A 101 110.462 23.562 -58.516 1.00 0.00 C ATOM 1607 CE2 PHE A 101 108.662 23.730 -56.857 1.00 0.00 C ATOM 1608 CZ PHE A 101 109.417 22.959 -57.775 1.00 0.00 C ATOM 0 H PHE A 101 111.448 26.868 -55.015 1.00 0.00 H new ATOM 0 HA PHE A 101 112.394 27.122 -57.867 1.00 0.00 H new ATOM 0 HB2 PHE A 101 109.749 27.547 -56.371 1.00 0.00 H new ATOM 0 HB3 PHE A 101 109.945 27.728 -58.103 1.00 0.00 H new ATOM 0 HD1 PHE A 101 111.550 25.394 -58.906 1.00 0.00 H new ATOM 0 HD2 PHE A 101 108.377 25.693 -55.982 1.00 0.00 H new ATOM 0 HE1 PHE A 101 111.037 22.974 -59.216 1.00 0.00 H new ATOM 0 HE2 PHE A 101 107.865 23.270 -56.292 1.00 0.00 H new ATOM 0 HZ PHE A 101 109.195 21.911 -57.910 1.00 0.00 H new ATOM 1618 N ALA A 102 112.689 29.564 -57.903 1.00 0.00 N ATOM 1619 CA ALA A 102 112.957 31.039 -57.875 1.00 0.00 C ATOM 1620 C ALA A 102 111.653 31.823 -58.049 1.00 0.00 C ATOM 1621 O ALA A 102 111.493 32.902 -57.508 1.00 0.00 O ATOM 1622 CB ALA A 102 113.902 31.304 -59.051 1.00 0.00 C ATOM 0 H ALA A 102 113.062 29.074 -58.716 1.00 0.00 H new ATOM 0 HA ALA A 102 113.392 31.354 -56.927 1.00 0.00 H new ATOM 0 HB1 ALA A 102 114.142 32.366 -59.093 1.00 0.00 H new ATOM 0 HB2 ALA A 102 114.819 30.730 -58.918 1.00 0.00 H new ATOM 0 HB3 ALA A 102 113.419 31.005 -59.981 1.00 0.00 H new ATOM 1628 N ALA A 103 110.722 31.287 -58.802 1.00 0.00 N ATOM 1629 CA ALA A 103 109.434 32.007 -59.045 1.00 0.00 C ATOM 1630 C ALA A 103 108.310 31.387 -58.210 1.00 0.00 C ATOM 1631 O ALA A 103 108.504 30.397 -57.530 1.00 0.00 O ATOM 1632 CB ALA A 103 109.155 31.826 -60.537 1.00 0.00 C ATOM 0 H ALA A 103 110.800 30.379 -59.260 1.00 0.00 H new ATOM 0 HA ALA A 103 109.492 33.059 -58.764 1.00 0.00 H new ATOM 0 HB1 ALA A 103 108.223 32.328 -60.796 1.00 0.00 H new ATOM 0 HB2 ALA A 103 109.972 32.258 -61.115 1.00 0.00 H new ATOM 0 HB3 ALA A 103 109.071 30.763 -60.765 1.00 0.00 H new ATOM 1638 N ASN A 104 107.130 31.969 -58.260 1.00 0.00 N ATOM 1639 CA ASN A 104 105.959 31.437 -57.478 1.00 0.00 C ATOM 1640 C ASN A 104 106.302 31.321 -55.986 1.00 0.00 C ATOM 1641 O ASN A 104 105.860 30.411 -55.308 1.00 0.00 O ATOM 1642 CB ASN A 104 105.657 30.056 -58.074 1.00 0.00 C ATOM 1643 CG ASN A 104 104.287 29.580 -57.587 1.00 0.00 C ATOM 1644 OD1 ASN A 104 103.304 30.280 -57.722 1.00 0.00 O ATOM 1645 ND2 ASN A 104 104.181 28.408 -57.022 1.00 0.00 N ATOM 0 H ASN A 104 106.926 32.800 -58.816 1.00 0.00 H new ATOM 0 HA ASN A 104 105.099 32.103 -57.546 1.00 0.00 H new ATOM 0 HB2 ASN A 104 105.670 30.107 -59.163 1.00 0.00 H new ATOM 0 HB3 ASN A 104 106.428 29.344 -57.779 1.00 0.00 H new ATOM 0 HD21 ASN A 104 103.272 28.080 -56.694 1.00 0.00 H new ATOM 0 HD22 ASN A 104 105.007 27.820 -56.909 1.00 0.00 H new ATOM 1652 N LEU A 105 107.086 32.240 -55.476 1.00 0.00 N ATOM 1653 CA LEU A 105 107.423 32.225 -54.018 1.00 0.00 C ATOM 1654 C LEU A 105 106.447 33.114 -53.242 1.00 0.00 C ATOM 1655 O LEU A 105 105.778 32.664 -52.329 1.00 0.00 O ATOM 1656 CB LEU A 105 108.844 32.784 -53.929 1.00 0.00 C ATOM 1657 CG LEU A 105 109.826 31.791 -54.554 1.00 0.00 C ATOM 1658 CD1 LEU A 105 111.190 32.464 -54.730 1.00 0.00 C ATOM 1659 CD2 LEU A 105 109.977 30.574 -53.635 1.00 0.00 C ATOM 0 H LEU A 105 107.508 33.001 -56.008 1.00 0.00 H new ATOM 0 HA LEU A 105 107.353 31.225 -53.590 1.00 0.00 H new ATOM 0 HB2 LEU A 105 108.902 33.742 -54.446 1.00 0.00 H new ATOM 0 HB3 LEU A 105 109.109 32.967 -52.888 1.00 0.00 H new ATOM 0 HG LEU A 105 109.448 31.471 -55.525 1.00 0.00 H new ATOM 0 HD11 LEU A 105 111.890 31.757 -55.175 1.00 0.00 H new ATOM 0 HD12 LEU A 105 111.086 33.331 -55.382 1.00 0.00 H new ATOM 0 HD13 LEU A 105 111.566 32.784 -53.758 1.00 0.00 H new ATOM 0 HD21 LEU A 105 110.677 29.866 -54.080 1.00 0.00 H new ATOM 0 HD22 LEU A 105 110.355 30.896 -52.664 1.00 0.00 H new ATOM 0 HD23 LEU A 105 109.007 30.093 -53.506 1.00 0.00 H new ATOM 1671 N GLU A 106 106.365 34.374 -53.601 1.00 0.00 N ATOM 1672 CA GLU A 106 105.421 35.302 -52.897 1.00 0.00 C ATOM 1673 C GLU A 106 103.964 34.913 -53.189 1.00 0.00 C ATOM 1674 O GLU A 106 103.092 35.080 -52.357 1.00 0.00 O ATOM 1675 CB GLU A 106 105.739 36.710 -53.439 1.00 0.00 C ATOM 1676 CG GLU A 106 105.454 36.787 -54.946 1.00 0.00 C ATOM 1677 CD GLU A 106 105.765 38.198 -55.453 1.00 0.00 C ATOM 1678 OE1 GLU A 106 105.387 39.145 -54.783 1.00 0.00 O ATOM 1679 OE2 GLU A 106 106.375 38.307 -56.503 1.00 0.00 O ATOM 0 H GLU A 106 106.910 34.800 -54.350 1.00 0.00 H new ATOM 0 HA GLU A 106 105.542 35.258 -51.815 1.00 0.00 H new ATOM 0 HB2 GLU A 106 105.140 37.452 -52.912 1.00 0.00 H new ATOM 0 HB3 GLU A 106 106.785 36.951 -53.249 1.00 0.00 H new ATOM 0 HG2 GLU A 106 106.061 36.055 -55.480 1.00 0.00 H new ATOM 0 HG3 GLU A 106 104.411 36.540 -55.143 1.00 0.00 H new ATOM 1686 N LYS A 107 103.703 34.396 -54.366 1.00 0.00 N ATOM 1687 CA LYS A 107 102.305 34.003 -54.729 1.00 0.00 C ATOM 1688 C LYS A 107 102.018 32.575 -54.258 1.00 0.00 C ATOM 1689 O LYS A 107 102.848 31.693 -54.390 1.00 0.00 O ATOM 1690 CB LYS A 107 102.247 34.087 -56.256 1.00 0.00 C ATOM 1691 CG LYS A 107 100.793 33.976 -56.720 1.00 0.00 C ATOM 1692 CD LYS A 107 100.741 34.000 -58.249 1.00 0.00 C ATOM 1693 CE LYS A 107 99.286 34.110 -58.709 1.00 0.00 C ATOM 1694 NZ LYS A 107 99.363 34.569 -60.124 1.00 0.00 N ATOM 0 H LYS A 107 104.400 34.229 -55.092 1.00 0.00 H new ATOM 0 HA LYS A 107 101.562 34.648 -54.260 1.00 0.00 H new ATOM 0 HB2 LYS A 107 102.677 35.029 -56.595 1.00 0.00 H new ATOM 0 HB3 LYS A 107 102.842 33.288 -56.697 1.00 0.00 H new ATOM 0 HG2 LYS A 107 100.350 33.053 -56.345 1.00 0.00 H new ATOM 0 HG3 LYS A 107 100.206 34.800 -56.313 1.00 0.00 H new ATOM 0 HD2 LYS A 107 101.318 34.842 -58.630 1.00 0.00 H new ATOM 0 HD3 LYS A 107 101.194 33.095 -58.653 1.00 0.00 H new ATOM 0 HE2 LYS A 107 98.774 33.151 -58.633 1.00 0.00 H new ATOM 0 HE3 LYS A 107 98.730 34.818 -58.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 98.402 34.668 -60.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 99.849 35.488 -60.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 99.892 33.872 -60.687 1.00 0.00 H new ATOM 1708 N PHE A 108 100.850 32.345 -53.710 1.00 0.00 N ATOM 1709 CA PHE A 108 100.503 30.983 -53.199 1.00 0.00 C ATOM 1710 C PHE A 108 99.261 30.444 -53.915 1.00 0.00 C ATOM 1711 O PHE A 108 98.509 31.189 -54.514 1.00 0.00 O ATOM 1712 CB PHE A 108 100.219 31.183 -51.710 1.00 0.00 C ATOM 1713 CG PHE A 108 101.417 31.664 -50.926 1.00 0.00 C ATOM 1714 CD1 PHE A 108 101.606 33.050 -50.701 1.00 0.00 C ATOM 1715 CD2 PHE A 108 102.352 30.730 -50.415 1.00 0.00 C ATOM 1716 CE1 PHE A 108 102.729 33.502 -49.966 1.00 0.00 C ATOM 1717 CE2 PHE A 108 103.475 31.182 -49.680 1.00 0.00 C ATOM 1718 CZ PHE A 108 103.664 32.567 -49.456 1.00 0.00 C ATOM 0 H PHE A 108 100.118 33.046 -53.594 1.00 0.00 H new ATOM 0 HA PHE A 108 101.302 30.262 -53.371 1.00 0.00 H new ATOM 0 HB2 PHE A 108 99.408 31.903 -51.597 1.00 0.00 H new ATOM 0 HB3 PHE A 108 99.871 30.241 -51.285 1.00 0.00 H new ATOM 0 HD1 PHE A 108 100.893 33.762 -51.090 1.00 0.00 H new ATOM 0 HD2 PHE A 108 102.208 29.673 -50.586 1.00 0.00 H new ATOM 0 HE1 PHE A 108 102.873 34.559 -49.794 1.00 0.00 H new ATOM 0 HE2 PHE A 108 104.187 30.470 -49.290 1.00 0.00 H new ATOM 0 HZ PHE A 108 104.521 32.911 -48.896 1.00 0.00 H new ATOM 1728 N ASP A 109 99.044 29.146 -53.853 1.00 0.00 N ATOM 1729 CA ASP A 109 97.840 28.521 -54.506 1.00 0.00 C ATOM 1730 C ASP A 109 97.754 28.911 -55.990 1.00 0.00 C ATOM 1731 O ASP A 109 96.681 29.122 -56.524 1.00 0.00 O ATOM 1732 CB ASP A 109 96.628 29.058 -53.734 1.00 0.00 C ATOM 1733 CG ASP A 109 95.372 28.292 -54.153 1.00 0.00 C ATOM 1734 OD1 ASP A 109 95.149 27.220 -53.616 1.00 0.00 O ATOM 1735 OD2 ASP A 109 94.655 28.790 -55.005 1.00 0.00 O ATOM 0 H ASP A 109 99.656 28.486 -53.373 1.00 0.00 H new ATOM 0 HA ASP A 109 97.889 27.433 -54.475 1.00 0.00 H new ATOM 0 HB2 ASP A 109 96.791 28.951 -52.662 1.00 0.00 H new ATOM 0 HB3 ASP A 109 96.500 30.122 -53.932 1.00 0.00 H new ATOM 1740 N LYS A 110 98.881 29.005 -56.653 1.00 0.00 N ATOM 1741 CA LYS A 110 98.877 29.372 -58.105 1.00 0.00 C ATOM 1742 C LYS A 110 98.432 28.175 -58.953 1.00 0.00 C ATOM 1743 O LYS A 110 97.541 28.287 -59.775 1.00 0.00 O ATOM 1744 CB LYS A 110 100.323 29.755 -58.433 1.00 0.00 C ATOM 1745 CG LYS A 110 100.381 30.376 -59.831 1.00 0.00 C ATOM 1746 CD LYS A 110 101.833 30.699 -60.186 1.00 0.00 C ATOM 1747 CE LYS A 110 101.886 31.357 -61.566 1.00 0.00 C ATOM 1748 NZ LYS A 110 103.329 31.360 -61.935 1.00 0.00 N ATOM 0 H LYS A 110 99.805 28.843 -56.251 1.00 0.00 H new ATOM 0 HA LYS A 110 98.186 30.188 -58.318 1.00 0.00 H new ATOM 0 HB2 LYS A 110 100.700 30.461 -57.694 1.00 0.00 H new ATOM 0 HB3 LYS A 110 100.963 28.874 -58.388 1.00 0.00 H new ATOM 0 HG2 LYS A 110 99.961 29.687 -60.564 1.00 0.00 H new ATOM 0 HG3 LYS A 110 99.777 31.283 -59.863 1.00 0.00 H new ATOM 0 HD2 LYS A 110 102.262 31.365 -59.437 1.00 0.00 H new ATOM 0 HD3 LYS A 110 102.431 29.788 -60.183 1.00 0.00 H new ATOM 0 HE2 LYS A 110 101.294 30.800 -62.292 1.00 0.00 H new ATOM 0 HE3 LYS A 110 101.484 32.370 -61.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 103.447 31.797 -62.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 103.867 31.903 -61.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 103.682 30.382 -61.962 1.00 0.00 H new ATOM 1762 N LYS A 111 99.050 27.035 -58.757 1.00 0.00 N ATOM 1763 CA LYS A 111 98.677 25.825 -59.551 1.00 0.00 C ATOM 1764 C LYS A 111 97.770 24.907 -58.726 1.00 0.00 C ATOM 1765 O LYS A 111 97.965 24.736 -57.536 1.00 0.00 O ATOM 1766 CB LYS A 111 100.005 25.128 -59.860 1.00 0.00 C ATOM 1767 CG LYS A 111 100.823 25.988 -60.826 1.00 0.00 C ATOM 1768 CD LYS A 111 102.092 25.234 -61.228 1.00 0.00 C ATOM 1769 CE LYS A 111 102.962 26.130 -62.114 1.00 0.00 C ATOM 1770 NZ LYS A 111 102.413 25.960 -63.488 1.00 0.00 N ATOM 0 H LYS A 111 99.799 26.892 -58.079 1.00 0.00 H new ATOM 0 HA LYS A 111 98.129 26.081 -60.458 1.00 0.00 H new ATOM 0 HB2 LYS A 111 100.565 24.965 -58.939 1.00 0.00 H new ATOM 0 HB3 LYS A 111 99.819 24.147 -60.298 1.00 0.00 H new ATOM 0 HG2 LYS A 111 100.231 26.224 -61.711 1.00 0.00 H new ATOM 0 HG3 LYS A 111 101.084 26.936 -60.355 1.00 0.00 H new ATOM 0 HD2 LYS A 111 102.647 24.936 -60.339 1.00 0.00 H new ATOM 0 HD3 LYS A 111 101.831 24.321 -61.762 1.00 0.00 H new ATOM 0 HE2 LYS A 111 102.911 27.171 -61.794 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.010 25.833 -62.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 102.989 26.504 -64.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.434 24.953 -63.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 101.432 26.304 -63.515 1.00 0.00 H new ATOM 1784 N GLN A 112 96.780 24.318 -59.353 1.00 0.00 N ATOM 1785 CA GLN A 112 95.851 23.406 -58.618 1.00 0.00 C ATOM 1786 C GLN A 112 95.553 22.162 -59.460 1.00 0.00 C ATOM 1787 O GLN A 112 95.833 22.124 -60.644 1.00 0.00 O ATOM 1788 CB GLN A 112 94.576 24.225 -58.401 1.00 0.00 C ATOM 1789 CG GLN A 112 94.862 25.373 -57.432 1.00 0.00 C ATOM 1790 CD GLN A 112 93.587 26.191 -57.218 1.00 0.00 C ATOM 1791 OE1 GLN A 112 92.825 26.404 -58.139 1.00 0.00 O ATOM 1792 NE2 GLN A 112 93.320 26.662 -56.030 1.00 0.00 N ATOM 0 H GLN A 112 96.576 24.431 -60.346 1.00 0.00 H new ATOM 0 HA GLN A 112 96.276 23.058 -57.677 1.00 0.00 H new ATOM 0 HB2 GLN A 112 94.219 24.619 -59.352 1.00 0.00 H new ATOM 0 HB3 GLN A 112 93.786 23.588 -58.003 1.00 0.00 H new ATOM 0 HG2 GLN A 112 95.218 24.979 -56.480 1.00 0.00 H new ATOM 0 HG3 GLN A 112 95.653 26.010 -57.829 1.00 0.00 H new ATOM 0 HE21 GLN A 112 93.959 26.484 -55.255 1.00 0.00 H new ATOM 0 HE22 GLN A 112 92.472 27.208 -55.877 1.00 0.00 H new ATOM 1801 N VAL A 113 94.986 21.148 -58.853 1.00 0.00 N ATOM 1802 CA VAL A 113 94.648 19.901 -59.610 1.00 0.00 C ATOM 1803 C VAL A 113 93.153 19.899 -59.957 1.00 0.00 C ATOM 1804 O VAL A 113 92.324 20.307 -59.164 1.00 0.00 O ATOM 1805 CB VAL A 113 94.992 18.741 -58.661 1.00 0.00 C ATOM 1806 CG1 VAL A 113 94.709 17.402 -59.351 1.00 0.00 C ATOM 1807 CG2 VAL A 113 96.477 18.801 -58.286 1.00 0.00 C ATOM 0 H VAL A 113 94.742 21.130 -57.863 1.00 0.00 H new ATOM 0 HA VAL A 113 95.197 19.820 -60.548 1.00 0.00 H new ATOM 0 HB VAL A 113 94.380 18.828 -57.763 1.00 0.00 H new ATOM 0 HG11 VAL A 113 94.955 16.584 -58.673 1.00 0.00 H new ATOM 0 HG12 VAL A 113 93.654 17.347 -59.619 1.00 0.00 H new ATOM 0 HG13 VAL A 113 95.317 17.321 -60.252 1.00 0.00 H new ATOM 0 HG21 VAL A 113 96.716 17.977 -57.613 1.00 0.00 H new ATOM 0 HG22 VAL A 113 97.084 18.721 -59.188 1.00 0.00 H new ATOM 0 HG23 VAL A 113 96.689 19.748 -57.789 1.00 0.00 H new ATOM 1817 N PHE A 114 92.809 19.442 -61.137 1.00 0.00 N ATOM 1818 CA PHE A 114 91.375 19.442 -61.561 1.00 0.00 C ATOM 1819 C PHE A 114 90.735 18.081 -61.275 1.00 0.00 C ATOM 1820 O PHE A 114 91.265 17.048 -61.643 1.00 0.00 O ATOM 1821 CB PHE A 114 91.405 19.713 -63.066 1.00 0.00 C ATOM 1822 CG PHE A 114 91.981 21.063 -63.424 1.00 0.00 C ATOM 1823 CD1 PHE A 114 93.327 21.167 -63.853 1.00 0.00 C ATOM 1824 CD2 PHE A 114 91.175 22.224 -63.331 1.00 0.00 C ATOM 1825 CE1 PHE A 114 93.868 22.432 -64.188 1.00 0.00 C ATOM 1826 CE2 PHE A 114 91.716 23.490 -63.667 1.00 0.00 C ATOM 1827 CZ PHE A 114 93.062 23.593 -64.095 1.00 0.00 C ATOM 0 H PHE A 114 93.462 19.068 -61.826 1.00 0.00 H new ATOM 0 HA PHE A 114 90.788 20.187 -61.023 1.00 0.00 H new ATOM 0 HB2 PHE A 114 91.991 18.935 -63.556 1.00 0.00 H new ATOM 0 HB3 PHE A 114 90.391 19.643 -63.460 1.00 0.00 H new ATOM 0 HD1 PHE A 114 93.941 20.281 -63.925 1.00 0.00 H new ATOM 0 HD2 PHE A 114 90.149 22.144 -63.004 1.00 0.00 H new ATOM 0 HE1 PHE A 114 94.894 22.512 -64.514 1.00 0.00 H new ATOM 0 HE2 PHE A 114 91.102 24.376 -63.597 1.00 0.00 H new ATOM 0 HZ PHE A 114 93.474 24.558 -64.351 1.00 0.00 H new ATOM 1837 N ALA A 115 89.600 18.079 -60.620 1.00 0.00 N ATOM 1838 CA ALA A 115 88.906 16.794 -60.306 1.00 0.00 C ATOM 1839 C ALA A 115 87.396 17.025 -60.200 1.00 0.00 C ATOM 1840 O ALA A 115 86.943 18.147 -60.063 1.00 0.00 O ATOM 1841 CB ALA A 115 89.478 16.352 -58.959 1.00 0.00 C ATOM 0 H ALA A 115 89.123 18.917 -60.288 1.00 0.00 H new ATOM 0 HA ALA A 115 89.060 16.041 -61.078 1.00 0.00 H new ATOM 0 HB1 ALA A 115 89.016 15.411 -58.659 1.00 0.00 H new ATOM 0 HB2 ALA A 115 90.556 16.215 -59.049 1.00 0.00 H new ATOM 0 HB3 ALA A 115 89.271 17.114 -58.208 1.00 0.00 H new ATOM 1847 N GLU A 116 86.617 15.972 -60.261 1.00 0.00 N ATOM 1848 CA GLU A 116 85.133 16.121 -60.157 1.00 0.00 C ATOM 1849 C GLU A 116 84.699 16.034 -58.690 1.00 0.00 C ATOM 1850 O GLU A 116 84.957 15.052 -58.017 1.00 0.00 O ATOM 1851 CB GLU A 116 84.554 14.953 -60.960 1.00 0.00 C ATOM 1852 CG GLU A 116 83.039 15.120 -61.094 1.00 0.00 C ATOM 1853 CD GLU A 116 82.444 13.886 -61.779 1.00 0.00 C ATOM 1854 OE1 GLU A 116 82.848 12.787 -61.435 1.00 0.00 O ATOM 1855 OE2 GLU A 116 81.596 14.062 -62.638 1.00 0.00 O ATOM 0 H GLU A 116 86.947 15.014 -60.379 1.00 0.00 H new ATOM 0 HA GLU A 116 84.787 17.082 -60.537 1.00 0.00 H new ATOM 0 HB2 GLU A 116 85.014 14.915 -61.947 1.00 0.00 H new ATOM 0 HB3 GLU A 116 84.783 14.010 -60.465 1.00 0.00 H new ATOM 0 HG2 GLU A 116 82.589 15.254 -60.110 1.00 0.00 H new ATOM 0 HG3 GLU A 116 82.812 16.015 -61.673 1.00 0.00 H new ATOM 1862 N PHE A 117 84.043 17.056 -58.195 1.00 0.00 N ATOM 1863 CA PHE A 117 83.592 17.051 -56.769 1.00 0.00 C ATOM 1864 C PHE A 117 82.065 16.997 -56.697 1.00 0.00 C ATOM 1865 O PHE A 117 81.377 17.705 -57.410 1.00 0.00 O ATOM 1866 CB PHE A 117 84.111 18.365 -56.184 1.00 0.00 C ATOM 1867 CG PHE A 117 85.617 18.481 -56.199 1.00 0.00 C ATOM 1868 CD1 PHE A 117 86.259 19.231 -57.215 1.00 0.00 C ATOM 1869 CD2 PHE A 117 86.388 17.839 -55.199 1.00 0.00 C ATOM 1870 CE1 PHE A 117 87.670 19.339 -57.231 1.00 0.00 C ATOM 1871 CE2 PHE A 117 87.799 17.948 -55.214 1.00 0.00 C ATOM 1872 CZ PHE A 117 88.441 18.698 -56.231 1.00 0.00 C ATOM 0 H PHE A 117 83.800 17.896 -58.720 1.00 0.00 H new ATOM 0 HA PHE A 117 83.966 16.186 -56.221 1.00 0.00 H new ATOM 0 HB2 PHE A 117 83.685 19.196 -56.746 1.00 0.00 H new ATOM 0 HB3 PHE A 117 83.758 18.460 -55.157 1.00 0.00 H new ATOM 0 HD1 PHE A 117 85.671 19.721 -57.978 1.00 0.00 H new ATOM 0 HD2 PHE A 117 85.899 17.266 -54.425 1.00 0.00 H new ATOM 0 HE1 PHE A 117 88.159 19.910 -58.006 1.00 0.00 H new ATOM 0 HE2 PHE A 117 88.387 17.460 -54.451 1.00 0.00 H new ATOM 0 HZ PHE A 117 89.518 18.781 -56.243 1.00 0.00 H new ATOM 1882 N ARG A 118 81.531 16.161 -55.838 1.00 0.00 N ATOM 1883 CA ARG A 118 80.041 16.054 -55.705 1.00 0.00 C ATOM 1884 C ARG A 118 79.465 17.355 -55.132 1.00 0.00 C ATOM 1885 O ARG A 118 78.381 17.767 -55.493 1.00 0.00 O ATOM 1886 CB ARG A 118 79.798 14.892 -54.740 1.00 0.00 C ATOM 1887 CG ARG A 118 80.252 13.582 -55.392 1.00 0.00 C ATOM 1888 CD ARG A 118 79.965 12.411 -54.447 1.00 0.00 C ATOM 1889 NE ARG A 118 80.929 12.570 -53.310 1.00 0.00 N ATOM 1890 CZ ARG A 118 81.181 11.577 -52.478 1.00 0.00 C ATOM 1891 NH1 ARG A 118 80.594 10.407 -52.603 1.00 0.00 N ATOM 1892 NH2 ARG A 118 82.030 11.762 -51.505 1.00 0.00 N ATOM 0 H ARG A 118 82.063 15.547 -55.222 1.00 0.00 H new ATOM 0 HA ARG A 118 79.558 15.886 -56.668 1.00 0.00 H new ATOM 0 HB2 ARG A 118 80.344 15.057 -53.811 1.00 0.00 H new ATOM 0 HB3 ARG A 118 78.741 14.835 -54.482 1.00 0.00 H new ATOM 0 HG2 ARG A 118 79.731 13.435 -56.338 1.00 0.00 H new ATOM 0 HG3 ARG A 118 81.317 13.627 -55.619 1.00 0.00 H new ATOM 0 HD2 ARG A 118 78.934 12.435 -54.094 1.00 0.00 H new ATOM 0 HD3 ARG A 118 80.107 11.455 -54.952 1.00 0.00 H new ATOM 0 HE ARG A 118 81.400 13.465 -53.177 1.00 0.00 H new ATOM 0 HH11 ARG A 118 79.925 10.250 -53.357 1.00 0.00 H new ATOM 0 HH12 ARG A 118 80.807 9.657 -51.946 1.00 0.00 H new ATOM 0 HH21 ARG A 118 82.490 12.666 -51.394 1.00 0.00 H new ATOM 0 HH22 ARG A 118 82.234 11.003 -50.855 1.00 0.00 H new ATOM 1906 N GLU A 119 80.195 17.996 -54.243 1.00 0.00 N ATOM 1907 CA GLU A 119 79.719 19.270 -53.596 1.00 0.00 C ATOM 1908 C GLU A 119 78.349 19.074 -52.913 1.00 0.00 C ATOM 1909 O GLU A 119 78.285 18.824 -51.723 1.00 0.00 O ATOM 1910 CB GLU A 119 79.648 20.314 -54.723 1.00 0.00 C ATOM 1911 CG GLU A 119 81.061 20.612 -55.231 1.00 0.00 C ATOM 1912 CD GLU A 119 81.002 21.703 -56.305 1.00 0.00 C ATOM 1913 OE1 GLU A 119 80.257 22.652 -56.121 1.00 0.00 O ATOM 1914 OE2 GLU A 119 81.704 21.570 -57.294 1.00 0.00 O ATOM 0 H GLU A 119 81.116 17.685 -53.933 1.00 0.00 H new ATOM 0 HA GLU A 119 80.397 19.593 -52.806 1.00 0.00 H new ATOM 0 HB2 GLU A 119 79.027 19.943 -55.539 1.00 0.00 H new ATOM 0 HB3 GLU A 119 79.181 21.228 -54.357 1.00 0.00 H new ATOM 0 HG2 GLU A 119 81.695 20.935 -54.405 1.00 0.00 H new ATOM 0 HG3 GLU A 119 81.509 19.707 -55.642 1.00 0.00 H new ATOM 1921 N LYS A 120 77.261 19.182 -53.645 1.00 0.00 N ATOM 1922 CA LYS A 120 75.909 19.012 -53.027 1.00 0.00 C ATOM 1923 C LYS A 120 75.240 17.744 -53.564 1.00 0.00 C ATOM 1924 O LYS A 120 75.412 17.383 -54.714 1.00 0.00 O ATOM 1925 CB LYS A 120 75.121 20.254 -53.447 1.00 0.00 C ATOM 1926 CG LYS A 120 75.720 21.493 -52.776 1.00 0.00 C ATOM 1927 CD LYS A 120 74.921 22.732 -53.184 1.00 0.00 C ATOM 1928 CE LYS A 120 73.562 22.718 -52.481 1.00 0.00 C ATOM 1929 NZ LYS A 120 72.953 24.041 -52.795 1.00 0.00 N ATOM 0 H LYS A 120 77.255 19.381 -54.645 1.00 0.00 H new ATOM 0 HA LYS A 120 75.960 18.910 -51.943 1.00 0.00 H new ATOM 0 HB2 LYS A 120 75.149 20.366 -54.531 1.00 0.00 H new ATOM 0 HB3 LYS A 120 74.074 20.145 -53.165 1.00 0.00 H new ATOM 0 HG2 LYS A 120 75.703 21.377 -51.692 1.00 0.00 H new ATOM 0 HG3 LYS A 120 76.764 21.608 -53.067 1.00 0.00 H new ATOM 0 HD2 LYS A 120 75.470 23.635 -52.919 1.00 0.00 H new ATOM 0 HD3 LYS A 120 74.783 22.749 -54.265 1.00 0.00 H new ATOM 0 HE2 LYS A 120 72.939 21.900 -52.843 1.00 0.00 H new ATOM 0 HE3 LYS A 120 73.675 22.581 -51.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 72.017 24.107 -52.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 73.565 24.800 -52.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 72.851 24.141 -53.825 1.00 0.00 H new ATOM 1943 N ASP A 121 74.479 17.069 -52.737 1.00 0.00 N ATOM 1944 CA ASP A 121 73.794 15.818 -53.185 1.00 0.00 C ATOM 1945 C ASP A 121 72.339 16.115 -53.557 1.00 0.00 C ATOM 1946 O ASP A 121 71.585 15.170 -53.719 1.00 0.00 O ATOM 1947 CB ASP A 121 73.862 14.877 -51.981 1.00 0.00 C ATOM 1948 CG ASP A 121 73.403 13.479 -52.398 1.00 0.00 C ATOM 1949 OD1 ASP A 121 74.223 12.738 -52.915 1.00 0.00 O ATOM 1950 OD2 ASP A 121 72.240 13.172 -52.192 1.00 0.00 O ATOM 1951 OXT ASP A 121 72.003 17.283 -53.672 1.00 0.00 O ATOM 0 H ASP A 121 74.303 17.332 -51.768 1.00 0.00 H new ATOM 0 HA ASP A 121 74.263 15.383 -54.068 1.00 0.00 H new ATOM 0 HB2 ASP A 121 74.881 14.837 -51.595 1.00 0.00 H new ATOM 0 HB3 ASP A 121 73.231 15.253 -51.176 1.00 0.00 H new TER 1956 ASP A 121