USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 45 THR OG1 : rot 37:sc= 1.03 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -152:sc= 1.23 (180deg=-0.0359) USER MOD Single : A 2 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.15) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00185 K(o=-0.0019,f=-1.4) USER MOD Single : A 25 HIS : no HD1:sc= 0.759 K(o=0.76,f=-5.4!) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.667 (180deg=0.228) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.966) USER MOD Single : A 37 TYR OH : rot 150:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= -0.0276 (180deg=-0.29) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.645) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 132:sc= 1.25 USER MOD Single : A 83 ASN : amide:sc= 0.109 X(o=0.11,f=-0.21) USER MOD Single : A 88 THR OG1 : rot 137:sc= 0.98 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= -0.025 (180deg=-0.241) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.0115 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 81.021 -11.003 -5.435 1.00 0.00 N ATOM 21 CA ASN A 2 82.123 -10.935 -6.381 1.00 0.00 C ATOM 22 C ASN A 2 82.555 -9.494 -6.594 1.00 0.00 C ATOM 23 O ASN A 2 81.890 -8.562 -6.138 1.00 0.00 O ATOM 24 CB ASN A 2 81.722 -11.550 -7.725 1.00 0.00 C ATOM 25 CG ASN A 2 81.701 -13.063 -7.693 1.00 0.00 C ATOM 26 OD1 ASN A 2 80.695 -13.678 -7.336 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.806 -13.674 -8.082 1.00 0.00 N ATOM 0 HA ASN A 2 82.956 -11.502 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.735 -11.183 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.418 -11.217 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 2 82.848 -14.693 -8.094 1.00 0.00 H new ATOM 0 HD22 ASN A 2 83.617 -13.127 -8.370 1.00 0.00 H new ATOM 34 N SER A 3 83.669 -9.322 -7.290 1.00 0.00 N ATOM 35 CA SER A 3 84.149 -8.000 -7.668 1.00 0.00 C ATOM 36 C SER A 3 83.116 -7.317 -8.562 1.00 0.00 C ATOM 37 O SER A 3 82.977 -6.094 -8.556 1.00 0.00 O ATOM 38 CB SER A 3 85.493 -8.121 -8.395 1.00 0.00 C ATOM 39 OG SER A 3 86.029 -6.850 -8.715 1.00 0.00 O ATOM 0 H SER A 3 84.262 -10.089 -7.607 1.00 0.00 H new ATOM 0 HA SER A 3 84.294 -7.396 -6.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.198 -8.667 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.362 -8.702 -9.308 1.00 0.00 H new ATOM 0 HG SER A 3 86.886 -6.963 -9.176 1.00 0.00 H new ATOM 45 N GLU A 4 82.377 -8.137 -9.309 1.00 0.00 N ATOM 46 CA GLU A 4 81.290 -7.669 -10.162 1.00 0.00 C ATOM 47 C GLU A 4 80.310 -6.809 -9.367 1.00 0.00 C ATOM 48 O GLU A 4 79.885 -5.750 -9.821 1.00 0.00 O ATOM 49 CB GLU A 4 80.566 -8.878 -10.760 1.00 0.00 C ATOM 50 CG GLU A 4 79.368 -8.525 -11.622 1.00 0.00 C ATOM 51 CD GLU A 4 78.672 -9.755 -12.162 1.00 0.00 C ATOM 52 OE1 GLU A 4 77.834 -10.335 -11.440 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.960 -10.152 -13.310 1.00 0.00 O ATOM 0 H GLU A 4 82.517 -9.147 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 4 81.704 -7.056 -10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.274 -9.451 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.236 -9.527 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.661 -7.937 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 4 79.692 -7.898 -12.453 1.00 0.00 H new ATOM 60 N VAL A 5 79.990 -7.266 -8.162 1.00 0.00 N ATOM 61 CA VAL A 5 79.050 -6.571 -7.289 1.00 0.00 C ATOM 62 C VAL A 5 79.583 -5.192 -6.913 1.00 0.00 C ATOM 63 O VAL A 5 78.838 -4.213 -6.853 1.00 0.00 O ATOM 64 CB VAL A 5 78.793 -7.386 -6.004 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.675 -6.771 -5.177 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.481 -8.835 -6.345 1.00 0.00 C ATOM 0 H VAL A 5 80.372 -8.124 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 5 78.113 -6.457 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 5 79.701 -7.362 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.517 -7.367 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.948 -5.754 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.757 -6.750 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 5 78.303 -9.395 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.592 -8.877 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 5 79.325 -9.273 -6.879 1.00 0.00 H new ATOM 76 N ILE A 6 80.886 -5.124 -6.679 1.00 0.00 N ATOM 77 CA ILE A 6 81.541 -3.874 -6.324 1.00 0.00 C ATOM 78 C ILE A 6 81.492 -2.899 -7.496 1.00 0.00 C ATOM 79 O ILE A 6 81.178 -1.721 -7.327 1.00 0.00 O ATOM 80 CB ILE A 6 83.013 -4.110 -5.920 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.095 -5.157 -4.804 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.663 -2.805 -5.480 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.511 -5.549 -4.443 1.00 0.00 C ATOM 0 H ILE A 6 81.514 -5.926 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 6 81.007 -3.452 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 6 83.556 -4.485 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.597 -4.768 -3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.548 -6.048 -5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.700 -2.991 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.633 -2.089 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.123 -2.400 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.491 -6.293 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.007 -5.968 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 6 85.057 -4.669 -4.103 1.00 0.00 H new ATOM 95 N LYS A 7 81.791 -3.411 -8.686 1.00 0.00 N ATOM 96 CA LYS A 7 81.802 -2.593 -9.893 1.00 0.00 C ATOM 97 C LYS A 7 80.405 -2.056 -10.186 1.00 0.00 C ATOM 98 O LYS A 7 80.251 -0.920 -10.638 1.00 0.00 O ATOM 99 CB LYS A 7 82.324 -3.404 -11.081 1.00 0.00 C ATOM 100 CG LYS A 7 83.685 -4.033 -10.828 1.00 0.00 C ATOM 101 CD LYS A 7 84.198 -4.784 -12.045 1.00 0.00 C ATOM 102 CE LYS A 7 85.455 -5.573 -11.716 1.00 0.00 C ATOM 103 NZ LYS A 7 86.094 -6.137 -12.934 1.00 0.00 N ATOM 0 H LYS A 7 82.029 -4.391 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 7 82.469 -1.746 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.607 -4.190 -11.319 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.388 -2.756 -11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.399 -3.256 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.617 -4.717 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.426 -5.461 -12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.409 -4.078 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.165 -4.926 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.206 -6.382 -11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.928 -6.695 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.415 -6.748 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.387 -5.362 -13.563 1.00 0.00 H new ATOM 117 N GLU A 8 79.393 -2.876 -9.909 1.00 0.00 N ATOM 118 CA GLU A 8 78.001 -2.461 -10.049 1.00 0.00 C ATOM 119 C GLU A 8 77.727 -1.210 -9.229 1.00 0.00 C ATOM 120 O GLU A 8 77.178 -0.236 -9.741 1.00 0.00 O ATOM 121 CB GLU A 8 77.062 -3.587 -9.610 1.00 0.00 C ATOM 122 CG GLU A 8 76.986 -4.736 -10.599 1.00 0.00 C ATOM 123 CD GLU A 8 76.253 -4.358 -11.867 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.799 -3.584 -12.675 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.115 -4.827 -12.060 1.00 0.00 O ATOM 0 H GLU A 8 79.513 -3.836 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 8 77.818 -2.236 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.394 -3.970 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.062 -3.178 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.995 -5.063 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.484 -5.582 -10.131 1.00 0.00 H new ATOM 132 N PHE A 9 78.133 -1.241 -7.964 1.00 0.00 N ATOM 133 CA PHE A 9 77.954 -0.108 -7.060 1.00 0.00 C ATOM 134 C PHE A 9 78.677 1.134 -7.585 1.00 0.00 C ATOM 135 O PHE A 9 78.136 2.241 -7.562 1.00 0.00 O ATOM 136 CB PHE A 9 78.472 -0.474 -5.662 1.00 0.00 C ATOM 137 CG PHE A 9 78.434 0.658 -4.671 1.00 0.00 C ATOM 138 CD1 PHE A 9 77.244 1.030 -4.066 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.592 1.345 -4.339 1.00 0.00 C ATOM 140 CE1 PHE A 9 77.209 2.065 -3.151 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.563 2.382 -3.426 1.00 0.00 C ATOM 142 CZ PHE A 9 78.370 2.742 -2.831 1.00 0.00 C ATOM 0 H PHE A 9 78.592 -2.046 -7.538 1.00 0.00 H new ATOM 0 HA PHE A 9 76.890 0.123 -7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.879 -1.302 -5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.498 -0.830 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.333 0.505 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.528 1.066 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 9 76.275 2.344 -2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.472 2.910 -3.178 1.00 0.00 H new ATOM 0 HZ PHE A 9 78.345 3.552 -2.117 1.00 0.00 H new ATOM 152 N LEU A 10 79.895 0.936 -8.069 1.00 0.00 N ATOM 153 CA LEU A 10 80.723 2.034 -8.559 1.00 0.00 C ATOM 154 C LEU A 10 80.084 2.715 -9.768 1.00 0.00 C ATOM 155 O LEU A 10 79.967 3.944 -9.821 1.00 0.00 O ATOM 156 CB LEU A 10 82.112 1.508 -8.922 1.00 0.00 C ATOM 157 CG LEU A 10 82.856 0.822 -7.774 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.145 0.191 -8.268 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.144 1.815 -6.658 1.00 0.00 C ATOM 0 H LEU A 10 80.336 0.019 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 10 80.811 2.777 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.014 0.802 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.717 2.339 -9.284 1.00 0.00 H new ATOM 0 HG LEU A 10 82.218 0.031 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.657 -0.291 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 10 83.917 -0.552 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.788 0.962 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.673 1.311 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.760 2.627 -7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.205 2.220 -6.280 1.00 0.00 H new ATOM 171 N GLU A 11 79.653 1.915 -10.730 1.00 0.00 N ATOM 172 CA GLU A 11 79.044 2.449 -11.939 1.00 0.00 C ATOM 173 C GLU A 11 77.629 2.947 -11.663 1.00 0.00 C ATOM 174 O GLU A 11 77.088 3.750 -12.420 1.00 0.00 O ATOM 175 CB GLU A 11 79.039 1.391 -13.041 1.00 0.00 C ATOM 176 CG GLU A 11 80.432 0.915 -13.413 1.00 0.00 C ATOM 177 CD GLU A 11 80.423 -0.133 -14.502 1.00 0.00 C ATOM 178 OE1 GLU A 11 80.047 -1.289 -14.220 1.00 0.00 O ATOM 179 OE2 GLU A 11 80.802 0.183 -15.645 1.00 0.00 O ATOM 0 H GLU A 11 79.713 0.897 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 11 79.638 3.299 -12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.444 0.538 -12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.552 1.799 -13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.027 1.768 -13.741 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.920 0.508 -12.528 1.00 0.00 H new ATOM 186 N ASP A 12 77.041 2.477 -10.568 1.00 0.00 N ATOM 187 CA ASP A 12 75.714 2.921 -10.156 1.00 0.00 C ATOM 188 C ASP A 12 75.762 4.344 -9.618 1.00 0.00 C ATOM 189 O ASP A 12 74.927 5.176 -9.968 1.00 0.00 O ATOM 190 CB ASP A 12 75.132 1.983 -9.098 1.00 0.00 C ATOM 191 CG ASP A 12 73.850 2.516 -8.493 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.791 2.423 -9.146 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.894 3.027 -7.356 1.00 0.00 O ATOM 0 H ASP A 12 77.464 1.786 -9.948 1.00 0.00 H new ATOM 0 HA ASP A 12 75.069 2.901 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.940 1.008 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.867 1.831 -8.308 1.00 0.00 H new ATOM 198 N ILE A 13 76.746 4.625 -8.770 1.00 0.00 N ATOM 199 CA ILE A 13 76.911 5.971 -8.232 1.00 0.00 C ATOM 200 C ILE A 13 77.466 6.905 -9.303 1.00 0.00 C ATOM 201 O ILE A 13 77.390 8.127 -9.179 1.00 0.00 O ATOM 202 CB ILE A 13 77.824 6.003 -6.984 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.233 5.502 -7.320 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.212 5.172 -5.864 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.203 5.577 -6.159 1.00 0.00 C ATOM 0 H ILE A 13 77.435 3.947 -8.443 1.00 0.00 H new ATOM 0 HA ILE A 13 75.923 6.311 -7.922 1.00 0.00 H new ATOM 0 HB ILE A 13 77.908 7.036 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.169 4.469 -7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.628 6.088 -8.150 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.864 5.202 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.235 5.578 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 13 77.099 4.140 -6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 13 81.178 5.205 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.298 6.612 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.832 4.968 -5.335 1.00 0.00 H new ATOM 217 N GLY A 14 78.033 6.318 -10.350 1.00 0.00 N ATOM 218 CA GLY A 14 78.465 7.097 -11.492 1.00 0.00 C ATOM 219 C GLY A 14 79.885 7.593 -11.355 1.00 0.00 C ATOM 220 O GLY A 14 80.235 8.654 -11.873 1.00 0.00 O ATOM 0 H GLY A 14 78.201 5.315 -10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.382 6.490 -12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.797 7.949 -11.619 1.00 0.00 H new ATOM 224 N GLU A 15 80.708 6.830 -10.655 1.00 0.00 N ATOM 225 CA GLU A 15 82.106 7.179 -10.495 1.00 0.00 C ATOM 226 C GLU A 15 82.968 6.123 -11.176 1.00 0.00 C ATOM 227 O GLU A 15 82.465 5.063 -11.554 1.00 0.00 O ATOM 228 CB GLU A 15 82.461 7.306 -9.011 1.00 0.00 C ATOM 229 CG GLU A 15 83.656 8.209 -8.757 1.00 0.00 C ATOM 230 CD GLU A 15 83.965 8.380 -7.287 1.00 0.00 C ATOM 231 OE1 GLU A 15 83.157 9.006 -6.568 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.035 7.919 -6.850 1.00 0.00 O ATOM 0 H GLU A 15 80.431 5.966 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 15 82.295 8.145 -10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 15 81.598 7.695 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.670 6.315 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.530 7.796 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 15 83.466 9.187 -9.199 1.00 0.00 H new ATOM 239 N ASP A 16 84.250 6.401 -11.340 1.00 0.00 N ATOM 240 CA ASP A 16 85.125 5.498 -12.076 1.00 0.00 C ATOM 241 C ASP A 16 86.162 4.873 -11.154 1.00 0.00 C ATOM 242 O ASP A 16 86.516 5.442 -10.121 1.00 0.00 O ATOM 243 CB ASP A 16 85.808 6.230 -13.234 1.00 0.00 C ATOM 244 CG ASP A 16 86.700 5.317 -14.050 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.258 4.201 -14.402 1.00 0.00 O ATOM 246 OD2 ASP A 16 87.856 5.703 -14.326 1.00 0.00 O ATOM 0 H ASP A 16 84.708 7.237 -10.978 1.00 0.00 H new ATOM 0 HA ASP A 16 84.511 4.697 -12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 16 85.048 6.666 -13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.401 7.055 -12.839 1.00 0.00 H new ATOM 251 N TYR A 17 86.651 3.710 -11.548 1.00 0.00 N ATOM 252 CA TYR A 17 87.538 2.918 -10.713 1.00 0.00 C ATOM 253 C TYR A 17 88.828 2.580 -11.449 1.00 0.00 C ATOM 254 O TYR A 17 88.835 2.415 -12.670 1.00 0.00 O ATOM 255 CB TYR A 17 86.826 1.632 -10.282 1.00 0.00 C ATOM 256 CG TYR A 17 86.095 0.932 -11.413 1.00 0.00 C ATOM 257 CD1 TYR A 17 84.782 1.267 -11.725 1.00 0.00 C ATOM 258 CD2 TYR A 17 86.717 -0.052 -12.173 1.00 0.00 C ATOM 259 CE1 TYR A 17 84.112 0.645 -12.760 1.00 0.00 C ATOM 260 CE2 TYR A 17 86.052 -0.680 -13.209 1.00 0.00 C ATOM 261 CZ TYR A 17 84.751 -0.326 -13.498 1.00 0.00 C ATOM 262 OH TYR A 17 84.088 -0.942 -14.534 1.00 0.00 O ATOM 0 H TYR A 17 86.445 3.289 -12.454 1.00 0.00 H new ATOM 0 HA TYR A 17 87.797 3.504 -9.831 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.559 0.947 -9.856 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.113 1.869 -9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 17 84.277 2.027 -11.148 1.00 0.00 H new ATOM 0 HD2 TYR A 17 87.736 -0.330 -11.950 1.00 0.00 H new ATOM 0 HE1 TYR A 17 83.093 0.919 -12.989 1.00 0.00 H new ATOM 0 HE2 TYR A 17 86.549 -1.444 -13.789 1.00 0.00 H new ATOM 0 HH TYR A 17 84.679 -1.602 -14.954 1.00 0.00 H new ATOM 272 N ILE A 18 89.920 2.484 -10.704 1.00 0.00 N ATOM 273 CA ILE A 18 91.201 2.113 -11.280 1.00 0.00 C ATOM 274 C ILE A 18 91.355 0.598 -11.258 1.00 0.00 C ATOM 275 O ILE A 18 91.772 0.017 -10.253 1.00 0.00 O ATOM 276 CB ILE A 18 92.377 2.765 -10.523 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.160 4.276 -10.416 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.696 2.461 -11.226 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.207 4.981 -9.583 1.00 0.00 C ATOM 0 H ILE A 18 89.943 2.658 -9.699 1.00 0.00 H new ATOM 0 HA ILE A 18 91.222 2.474 -12.308 1.00 0.00 H new ATOM 0 HB ILE A 18 92.422 2.348 -9.517 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.155 4.706 -11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.177 4.464 -9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.516 2.928 -10.680 1.00 0.00 H new ATOM 0 HG22 ILE A 18 93.850 1.382 -11.260 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.666 2.855 -12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 18 92.989 6.048 -9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.197 4.579 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.190 4.825 -10.026 1.00 0.00 H new ATOM 291 N GLU A 19 90.985 -0.036 -12.359 1.00 0.00 N ATOM 292 CA GLU A 19 91.006 -1.486 -12.442 1.00 0.00 C ATOM 293 C GLU A 19 92.263 -1.980 -13.144 1.00 0.00 C ATOM 294 O GLU A 19 92.491 -1.690 -14.319 1.00 0.00 O ATOM 295 CB GLU A 19 89.770 -2.006 -13.180 1.00 0.00 C ATOM 296 CG GLU A 19 89.655 -3.522 -13.169 1.00 0.00 C ATOM 297 CD GLU A 19 88.522 -4.031 -14.035 1.00 0.00 C ATOM 298 OE1 GLU A 19 87.354 -3.916 -13.624 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.798 -4.551 -15.137 1.00 0.00 O ATOM 0 H GLU A 19 90.666 0.432 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 19 91.002 -1.870 -11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 19 88.877 -1.578 -12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 19 89.799 -1.658 -14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 19 90.593 -3.955 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 19 89.505 -3.863 -12.145 1.00 0.00 H new ATOM 306 N LEU A 20 93.077 -2.708 -12.405 1.00 0.00 N ATOM 307 CA LEU A 20 94.225 -3.401 -12.961 1.00 0.00 C ATOM 308 C LEU A 20 93.956 -4.896 -12.889 1.00 0.00 C ATOM 309 O LEU A 20 92.876 -5.309 -12.462 1.00 0.00 O ATOM 310 CB LEU A 20 95.495 -3.052 -12.177 1.00 0.00 C ATOM 311 CG LEU A 20 95.817 -1.558 -12.081 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.057 -1.336 -11.230 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.008 -0.960 -13.467 1.00 0.00 C ATOM 0 H LEU A 20 92.962 -2.837 -11.400 1.00 0.00 H new ATOM 0 HA LEU A 20 94.378 -3.095 -13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.400 -3.452 -11.167 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.340 -3.559 -12.642 1.00 0.00 H new ATOM 0 HG LEU A 20 94.975 -1.055 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.272 -0.269 -11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.885 -1.727 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.905 -1.853 -11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.236 0.102 -13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 20 96.831 -1.466 -13.971 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.094 -1.087 -14.047 1.00 0.00 H new ATOM 325 N GLU A 21 94.918 -5.711 -13.285 1.00 0.00 N ATOM 326 CA GLU A 21 94.732 -7.151 -13.229 1.00 0.00 C ATOM 327 C GLU A 21 94.771 -7.624 -11.781 1.00 0.00 C ATOM 328 O GLU A 21 95.819 -7.578 -11.132 1.00 0.00 O ATOM 329 CB GLU A 21 95.791 -7.879 -14.059 1.00 0.00 C ATOM 330 CG GLU A 21 95.566 -9.385 -14.145 1.00 0.00 C ATOM 331 CD GLU A 21 94.310 -9.760 -14.913 1.00 0.00 C ATOM 332 OE1 GLU A 21 93.351 -8.962 -14.938 1.00 0.00 O ATOM 333 OE2 GLU A 21 94.268 -10.870 -15.484 1.00 0.00 O ATOM 0 H GLU A 21 95.823 -5.407 -13.644 1.00 0.00 H new ATOM 0 HA GLU A 21 93.757 -7.387 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 21 95.801 -7.463 -15.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.773 -7.690 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 21 96.429 -9.848 -14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 21 95.503 -9.795 -13.137 1.00 0.00 H new ATOM 340 N ASN A 22 93.606 -8.033 -11.282 1.00 0.00 N ATOM 341 CA ASN A 22 93.456 -8.534 -9.912 1.00 0.00 C ATOM 342 C ASN A 22 93.704 -7.439 -8.880 1.00 0.00 C ATOM 343 O ASN A 22 93.867 -7.721 -7.694 1.00 0.00 O ATOM 344 CB ASN A 22 94.390 -9.721 -9.648 1.00 0.00 C ATOM 345 CG ASN A 22 93.955 -10.989 -10.357 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.337 -10.949 -11.421 1.00 0.00 O ATOM 347 ND2 ASN A 22 94.277 -12.129 -9.767 1.00 0.00 N ATOM 0 H ASN A 22 92.736 -8.027 -11.815 1.00 0.00 H new ATOM 0 HA ASN A 22 92.424 -8.871 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.399 -9.460 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.435 -9.909 -8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 22 94.012 -13.017 -10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 22 94.790 -12.120 -8.885 1.00 0.00 H new ATOM 354 N GLU A 23 93.701 -6.189 -9.324 1.00 0.00 N ATOM 355 CA GLU A 23 93.912 -5.061 -8.427 1.00 0.00 C ATOM 356 C GLU A 23 92.970 -3.916 -8.751 1.00 0.00 C ATOM 357 O GLU A 23 93.067 -3.302 -9.808 1.00 0.00 O ATOM 358 CB GLU A 23 95.351 -4.552 -8.505 1.00 0.00 C ATOM 359 CG GLU A 23 96.337 -5.339 -7.665 1.00 0.00 C ATOM 360 CD GLU A 23 97.697 -4.681 -7.630 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.804 -3.556 -7.091 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.664 -5.281 -8.141 1.00 0.00 O ATOM 0 H GLU A 23 93.555 -5.931 -10.300 1.00 0.00 H new ATOM 0 HA GLU A 23 93.710 -5.420 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.677 -4.576 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.373 -3.509 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.954 -5.435 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.432 -6.348 -8.066 1.00 0.00 H new ATOM 369 N ILE A 24 92.068 -3.624 -7.838 1.00 0.00 N ATOM 370 CA ILE A 24 91.216 -2.458 -7.972 1.00 0.00 C ATOM 371 C ILE A 24 91.614 -1.428 -6.929 1.00 0.00 C ATOM 372 O ILE A 24 91.459 -1.651 -5.734 1.00 0.00 O ATOM 373 CB ILE A 24 89.718 -2.803 -7.824 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.281 -3.754 -8.941 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.874 -1.533 -7.846 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.818 -4.138 -8.877 1.00 0.00 C ATOM 0 H ILE A 24 91.905 -4.176 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 24 91.354 -2.057 -8.976 1.00 0.00 H new ATOM 0 HB ILE A 24 89.568 -3.299 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.483 -3.285 -9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.887 -4.659 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.821 -1.794 -7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 89.171 -0.884 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 24 89.026 -1.012 -8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.583 -4.813 -9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.614 -4.636 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.203 -3.242 -8.956 1.00 0.00 H new ATOM 388 N HIS A 25 92.163 -0.318 -7.384 1.00 0.00 N ATOM 389 CA HIS A 25 92.593 0.732 -6.478 1.00 0.00 C ATOM 390 C HIS A 25 91.532 1.815 -6.406 1.00 0.00 C ATOM 391 O HIS A 25 91.211 2.451 -7.411 1.00 0.00 O ATOM 392 CB HIS A 25 93.942 1.313 -6.915 1.00 0.00 C ATOM 393 CG HIS A 25 95.097 0.375 -6.706 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.013 0.526 -5.688 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.480 -0.732 -7.390 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.908 -0.440 -5.756 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.609 -1.218 -6.777 1.00 0.00 N ATOM 0 H HIS A 25 92.322 -0.119 -8.372 1.00 0.00 H new ATOM 0 HA HIS A 25 92.726 0.306 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.888 1.580 -7.970 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.128 2.234 -6.362 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.989 -1.153 -8.255 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.746 -0.572 -5.087 1.00 0.00 H new ATOM 0 HE2 HIS A 25 97.131 -2.046 -7.065 1.00 0.00 H new ATOM 406 N LEU A 26 90.973 2.001 -5.222 1.00 0.00 N ATOM 407 CA LEU A 26 89.884 2.945 -5.040 1.00 0.00 C ATOM 408 C LEU A 26 90.298 4.093 -4.137 1.00 0.00 C ATOM 409 O LEU A 26 91.387 4.092 -3.561 1.00 0.00 O ATOM 410 CB LEU A 26 88.653 2.242 -4.456 1.00 0.00 C ATOM 411 CG LEU A 26 87.962 1.248 -5.391 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.781 0.591 -4.692 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.502 1.944 -6.663 1.00 0.00 C ATOM 0 H LEU A 26 91.255 1.511 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 26 89.631 3.351 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.952 1.715 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.929 3.001 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 26 88.681 0.474 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.301 -0.113 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.132 0.059 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.063 1.355 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 26 87.013 1.222 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.800 2.738 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.364 2.372 -7.176 1.00 0.00 H new ATOM 425 N LYS A 27 89.414 5.069 -4.027 1.00 0.00 N ATOM 426 CA LYS A 27 89.636 6.220 -3.172 1.00 0.00 C ATOM 427 C LYS A 27 89.213 5.885 -1.750 1.00 0.00 C ATOM 428 O LYS A 27 88.307 5.076 -1.551 1.00 0.00 O ATOM 429 CB LYS A 27 88.834 7.410 -3.696 1.00 0.00 C ATOM 430 CG LYS A 27 89.119 7.730 -5.152 1.00 0.00 C ATOM 431 CD LYS A 27 88.059 8.644 -5.733 1.00 0.00 C ATOM 432 CE LYS A 27 88.202 8.767 -7.238 1.00 0.00 C ATOM 433 NZ LYS A 27 87.010 9.402 -7.852 1.00 0.00 N ATOM 0 H LYS A 27 88.525 5.086 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 27 90.695 6.480 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.770 7.203 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 89.058 8.286 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.097 8.203 -5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 27 89.161 6.806 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.069 8.257 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.137 9.631 -5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.089 9.355 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.352 7.778 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.872 9.026 -8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.170 9.194 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.151 10.431 -7.900 1.00 0.00 H new ATOM 447 N PRO A 28 89.862 6.495 -0.748 1.00 0.00 N ATOM 448 CA PRO A 28 89.555 6.251 0.666 1.00 0.00 C ATOM 449 C PRO A 28 88.068 6.401 0.985 1.00 0.00 C ATOM 450 O PRO A 28 87.501 5.598 1.729 1.00 0.00 O ATOM 451 CB PRO A 28 90.370 7.319 1.395 1.00 0.00 C ATOM 452 CG PRO A 28 91.499 7.628 0.476 1.00 0.00 C ATOM 453 CD PRO A 28 90.957 7.468 -0.915 1.00 0.00 C ATOM 0 HA PRO A 28 89.799 5.230 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.769 8.206 1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.731 6.954 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.867 8.641 0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.338 6.953 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.595 8.415 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.719 7.101 -1.603 1.00 0.00 H new ATOM 461 N GLU A 29 87.439 7.423 0.415 1.00 0.00 N ATOM 462 CA GLU A 29 86.023 7.675 0.651 1.00 0.00 C ATOM 463 C GLU A 29 85.176 6.545 0.078 1.00 0.00 C ATOM 464 O GLU A 29 84.248 6.060 0.729 1.00 0.00 O ATOM 465 CB GLU A 29 85.587 9.004 0.029 1.00 0.00 C ATOM 466 CG GLU A 29 86.556 10.149 0.264 1.00 0.00 C ATOM 467 CD GLU A 29 87.546 10.304 -0.870 1.00 0.00 C ATOM 468 OE1 GLU A 29 88.494 9.498 -0.960 1.00 0.00 O ATOM 469 OE2 GLU A 29 87.365 11.227 -1.692 1.00 0.00 O ATOM 0 H GLU A 29 87.887 8.090 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 29 85.873 7.728 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 29 85.460 8.865 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 29 84.613 9.279 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 29 85.997 11.077 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 29 87.097 9.979 1.195 1.00 0.00 H new ATOM 476 N VAL A 30 85.506 6.129 -1.139 1.00 0.00 N ATOM 477 CA VAL A 30 84.788 5.051 -1.806 1.00 0.00 C ATOM 478 C VAL A 30 84.982 3.743 -1.047 1.00 0.00 C ATOM 479 O VAL A 30 84.026 3.006 -0.799 1.00 0.00 O ATOM 480 CB VAL A 30 85.268 4.864 -3.263 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.486 3.758 -3.954 1.00 0.00 C ATOM 482 CG2 VAL A 30 85.153 6.164 -4.044 1.00 0.00 C ATOM 0 H VAL A 30 86.271 6.525 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 30 83.732 5.322 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 30 86.318 4.574 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.842 3.646 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.628 2.821 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.426 4.013 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.497 6.006 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 30 84.113 6.490 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.767 6.929 -3.569 1.00 0.00 H new ATOM 492 N PHE A 31 86.224 3.482 -0.662 1.00 0.00 N ATOM 493 CA PHE A 31 86.583 2.266 0.054 1.00 0.00 C ATOM 494 C PHE A 31 85.791 2.141 1.353 1.00 0.00 C ATOM 495 O PHE A 31 85.337 1.056 1.707 1.00 0.00 O ATOM 496 CB PHE A 31 88.087 2.265 0.345 1.00 0.00 C ATOM 497 CG PHE A 31 88.590 1.006 0.988 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.792 -0.139 0.235 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.875 0.971 2.343 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.267 -1.295 0.823 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.348 -0.181 2.935 1.00 0.00 C ATOM 502 CZ PHE A 31 89.544 -1.316 2.175 1.00 0.00 C ATOM 0 H PHE A 31 87.011 4.107 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 31 86.336 1.408 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.626 2.423 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.320 3.109 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.576 -0.128 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.725 1.856 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.421 -2.181 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.565 -0.195 3.993 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.914 -2.219 2.637 1.00 0.00 H new ATOM 512 N TYR A 32 85.615 3.263 2.045 1.00 0.00 N ATOM 513 CA TYR A 32 84.862 3.294 3.296 1.00 0.00 C ATOM 514 C TYR A 32 83.437 2.773 3.101 1.00 0.00 C ATOM 515 O TYR A 32 82.926 2.007 3.921 1.00 0.00 O ATOM 516 CB TYR A 32 84.838 4.723 3.854 1.00 0.00 C ATOM 517 CG TYR A 32 83.892 4.917 5.021 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.177 4.388 6.273 1.00 0.00 C ATOM 519 CD2 TYR A 32 82.711 5.633 4.863 1.00 0.00 C ATOM 520 CE1 TYR A 32 83.310 4.564 7.336 1.00 0.00 C ATOM 521 CE2 TYR A 32 81.841 5.816 5.919 1.00 0.00 C ATOM 522 CZ TYR A 32 82.143 5.279 7.152 1.00 0.00 C ATOM 523 OH TYR A 32 81.273 5.458 8.204 1.00 0.00 O ATOM 0 H TYR A 32 85.986 4.169 1.758 1.00 0.00 H new ATOM 0 HA TYR A 32 85.359 2.638 4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.846 4.996 4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.557 5.409 3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.090 3.830 6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.470 6.053 3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.544 4.145 8.304 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.929 6.377 5.780 1.00 0.00 H new ATOM 0 HH TYR A 32 80.502 5.984 7.905 1.00 0.00 H new ATOM 533 N GLU A 33 82.803 3.179 2.010 1.00 0.00 N ATOM 534 CA GLU A 33 81.426 2.785 1.743 1.00 0.00 C ATOM 535 C GLU A 33 81.358 1.344 1.249 1.00 0.00 C ATOM 536 O GLU A 33 80.483 0.579 1.657 1.00 0.00 O ATOM 537 CB GLU A 33 80.792 3.737 0.728 1.00 0.00 C ATOM 538 CG GLU A 33 80.774 5.182 1.201 1.00 0.00 C ATOM 539 CD GLU A 33 80.046 6.108 0.251 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.813 6.240 0.377 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.707 6.733 -0.604 1.00 0.00 O ATOM 0 H GLU A 33 83.218 3.779 1.297 1.00 0.00 H new ATOM 0 HA GLU A 33 80.863 2.845 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.340 3.675 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.771 3.414 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.300 5.231 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.799 5.531 1.324 1.00 0.00 H new ATOM 548 N VAL A 34 82.300 0.971 0.389 1.00 0.00 N ATOM 549 CA VAL A 34 82.361 -0.389 -0.138 1.00 0.00 C ATOM 550 C VAL A 34 82.673 -1.383 0.979 1.00 0.00 C ATOM 551 O VAL A 34 82.201 -2.520 0.960 1.00 0.00 O ATOM 552 CB VAL A 34 83.418 -0.518 -1.262 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.487 -1.944 -1.789 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.108 0.448 -2.397 1.00 0.00 C ATOM 0 H VAL A 34 83.032 1.591 0.042 1.00 0.00 H new ATOM 0 HA VAL A 34 81.383 -0.618 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 34 84.390 -0.265 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.237 -2.005 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.758 -2.619 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.515 -2.231 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.861 0.344 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.124 0.222 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.117 1.470 -2.018 1.00 0.00 H new ATOM 564 N TRP A 35 83.450 -0.933 1.959 1.00 0.00 N ATOM 565 CA TRP A 35 83.813 -1.752 3.112 1.00 0.00 C ATOM 566 C TRP A 35 82.572 -2.335 3.782 1.00 0.00 C ATOM 567 O TRP A 35 82.473 -3.545 3.982 1.00 0.00 O ATOM 568 CB TRP A 35 84.617 -0.911 4.111 1.00 0.00 C ATOM 569 CG TRP A 35 85.042 -1.659 5.338 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.568 -2.917 5.393 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.994 -1.184 6.689 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.841 -3.258 6.695 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.500 -2.209 7.509 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.570 0.009 7.284 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.593 -2.078 8.893 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.663 0.137 8.657 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.173 -0.900 9.446 1.00 0.00 C ATOM 0 H TRP A 35 83.845 0.007 1.977 1.00 0.00 H new ATOM 0 HA TRP A 35 84.428 -2.584 2.768 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.504 -0.521 3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.017 -0.052 4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.744 -3.552 4.537 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.233 -4.147 7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.177 0.815 6.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.982 -2.877 9.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.337 1.052 9.129 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.236 -0.767 10.516 1.00 0.00 H new ATOM 588 N LYS A 36 81.614 -1.479 4.105 1.00 0.00 N ATOM 589 CA LYS A 36 80.386 -1.930 4.748 1.00 0.00 C ATOM 590 C LYS A 36 79.462 -2.605 3.737 1.00 0.00 C ATOM 591 O LYS A 36 78.669 -3.477 4.093 1.00 0.00 O ATOM 592 CB LYS A 36 79.676 -0.755 5.426 1.00 0.00 C ATOM 593 CG LYS A 36 80.448 -0.179 6.603 1.00 0.00 C ATOM 594 CD LYS A 36 79.739 1.028 7.196 1.00 0.00 C ATOM 595 CE LYS A 36 80.468 1.562 8.421 1.00 0.00 C ATOM 596 NZ LYS A 36 80.447 0.599 9.555 1.00 0.00 N ATOM 0 H LYS A 36 81.661 -0.474 3.934 1.00 0.00 H new ATOM 0 HA LYS A 36 80.648 -2.663 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.509 0.032 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.695 -1.083 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.569 -0.944 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.448 0.108 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 36 79.667 1.814 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 36 78.720 0.754 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.501 1.786 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.008 2.499 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.689 1.095 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.497 0.184 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.141 -0.156 9.382 1.00 0.00 H new ATOM 610 N TYR A 37 79.593 -2.215 2.474 1.00 0.00 N ATOM 611 CA TYR A 37 78.775 -2.772 1.397 1.00 0.00 C ATOM 612 C TYR A 37 79.084 -4.257 1.183 1.00 0.00 C ATOM 613 O TYR A 37 78.195 -5.048 0.866 1.00 0.00 O ATOM 614 CB TYR A 37 79.017 -1.980 0.105 1.00 0.00 C ATOM 615 CG TYR A 37 78.224 -2.463 -1.091 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.890 -2.109 -1.253 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.813 -3.265 -2.060 1.00 0.00 C ATOM 618 CE1 TYR A 37 76.165 -2.544 -2.348 1.00 0.00 C ATOM 619 CE2 TYR A 37 78.096 -3.701 -3.157 1.00 0.00 C ATOM 620 CZ TYR A 37 76.773 -3.339 -3.296 1.00 0.00 C ATOM 621 OH TYR A 37 76.058 -3.773 -4.389 1.00 0.00 O ATOM 0 H TYR A 37 80.263 -1.510 2.167 1.00 0.00 H new ATOM 0 HA TYR A 37 77.725 -2.689 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.774 -0.933 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 37 80.079 -2.024 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.412 -1.485 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.849 -3.552 -1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 37 75.128 -2.262 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.570 -4.323 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 37 76.663 -3.885 -5.152 1.00 0.00 H new ATOM 631 N VAL A 38 80.344 -4.633 1.370 1.00 0.00 N ATOM 632 CA VAL A 38 80.756 -6.021 1.192 1.00 0.00 C ATOM 633 C VAL A 38 80.628 -6.817 2.492 1.00 0.00 C ATOM 634 O VAL A 38 81.097 -7.952 2.585 1.00 0.00 O ATOM 635 CB VAL A 38 82.200 -6.132 0.654 1.00 0.00 C ATOM 636 CG1 VAL A 38 82.309 -5.491 -0.721 1.00 0.00 C ATOM 637 CG2 VAL A 38 83.199 -5.508 1.615 1.00 0.00 C ATOM 0 H VAL A 38 81.095 -4.000 1.644 1.00 0.00 H new ATOM 0 HA VAL A 38 80.080 -6.448 0.451 1.00 0.00 H new ATOM 0 HB VAL A 38 82.441 -7.191 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.333 -5.579 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.635 -5.996 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.037 -4.438 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 38 84.205 -5.603 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.961 -4.453 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.148 -6.020 2.576 1.00 0.00 H new ATOM 647 N GLY A 39 79.991 -6.217 3.492 1.00 0.00 N ATOM 648 CA GLY A 39 79.705 -6.934 4.723 1.00 0.00 C ATOM 649 C GLY A 39 80.667 -6.614 5.849 1.00 0.00 C ATOM 650 O GLY A 39 80.713 -7.341 6.844 1.00 0.00 O ATOM 0 H GLY A 39 79.668 -5.250 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.691 -6.697 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.734 -8.005 4.525 1.00 0.00 H new ATOM 654 N GLU A 40 81.429 -5.535 5.684 1.00 0.00 N ATOM 655 CA GLU A 40 82.379 -5.065 6.697 1.00 0.00 C ATOM 656 C GLU A 40 83.263 -6.208 7.208 1.00 0.00 C ATOM 657 O GLU A 40 83.076 -6.716 8.317 1.00 0.00 O ATOM 658 CB GLU A 40 81.636 -4.376 7.853 1.00 0.00 C ATOM 659 CG GLU A 40 82.551 -3.744 8.889 1.00 0.00 C ATOM 660 CD GLU A 40 81.801 -2.880 9.883 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.248 -3.425 10.862 1.00 0.00 O ATOM 662 OE2 GLU A 40 81.766 -1.647 9.697 1.00 0.00 O ATOM 0 H GLU A 40 81.407 -4.959 4.843 1.00 0.00 H new ATOM 0 HA GLU A 40 83.036 -4.332 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 40 80.982 -3.606 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.996 -5.107 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 40 83.083 -4.530 9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 83.303 -3.139 8.383 1.00 0.00 H new ATOM 669 N PRO A 41 84.215 -6.660 6.379 1.00 0.00 N ATOM 670 CA PRO A 41 85.121 -7.739 6.738 1.00 0.00 C ATOM 671 C PRO A 41 86.395 -7.233 7.403 1.00 0.00 C ATOM 672 O PRO A 41 86.717 -6.043 7.336 1.00 0.00 O ATOM 673 CB PRO A 41 85.437 -8.356 5.379 1.00 0.00 C ATOM 674 CG PRO A 41 85.393 -7.211 4.418 1.00 0.00 C ATOM 675 CD PRO A 41 84.477 -6.167 5.016 1.00 0.00 C ATOM 0 HA PRO A 41 84.688 -8.430 7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.417 -8.834 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.709 -9.123 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.391 -6.803 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 41 85.023 -7.537 3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.948 -5.184 5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.555 -6.070 4.443 1.00 0.00 H new ATOM 683 N GLU A 42 87.112 -8.139 8.054 1.00 0.00 N ATOM 684 CA GLU A 42 88.418 -7.817 8.600 1.00 0.00 C ATOM 685 C GLU A 42 89.410 -7.656 7.458 1.00 0.00 C ATOM 686 O GLU A 42 89.799 -8.628 6.808 1.00 0.00 O ATOM 687 CB GLU A 42 88.874 -8.900 9.577 1.00 0.00 C ATOM 688 CG GLU A 42 87.985 -9.012 10.806 1.00 0.00 C ATOM 689 CD GLU A 42 88.375 -10.163 11.707 1.00 0.00 C ATOM 690 OE1 GLU A 42 87.855 -11.281 11.500 1.00 0.00 O ATOM 691 OE2 GLU A 42 89.200 -9.958 12.622 1.00 0.00 O ATOM 0 H GLU A 42 86.810 -9.100 8.215 1.00 0.00 H new ATOM 0 HA GLU A 42 88.360 -6.880 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.893 -9.860 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.895 -8.688 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.034 -8.081 11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 42 86.950 -9.138 10.490 1.00 0.00 H new ATOM 698 N LEU A 43 89.784 -6.415 7.206 1.00 0.00 N ATOM 699 CA LEU A 43 90.593 -6.064 6.051 1.00 0.00 C ATOM 700 C LEU A 43 92.040 -6.505 6.219 1.00 0.00 C ATOM 701 O LEU A 43 92.583 -6.500 7.326 1.00 0.00 O ATOM 702 CB LEU A 43 90.532 -4.556 5.829 1.00 0.00 C ATOM 703 CG LEU A 43 89.129 -3.995 5.600 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.160 -2.476 5.600 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.556 -4.516 4.291 1.00 0.00 C ATOM 0 H LEU A 43 89.536 -5.621 7.796 1.00 0.00 H new ATOM 0 HA LEU A 43 90.189 -6.586 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.970 -4.058 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.153 -4.305 4.969 1.00 0.00 H new ATOM 0 HG LEU A 43 88.485 -4.327 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.153 -2.092 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.532 -2.120 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 43 89.817 -2.125 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.557 -4.107 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.199 -4.211 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.501 -5.604 4.325 1.00 0.00 H new ATOM 717 N LYS A 44 92.657 -6.878 5.107 1.00 0.00 N ATOM 718 CA LYS A 44 94.059 -7.250 5.095 1.00 0.00 C ATOM 719 C LYS A 44 94.917 -6.014 4.884 1.00 0.00 C ATOM 720 O LYS A 44 94.579 -5.146 4.080 1.00 0.00 O ATOM 721 CB LYS A 44 94.346 -8.257 3.979 1.00 0.00 C ATOM 722 CG LYS A 44 93.787 -9.646 4.224 1.00 0.00 C ATOM 723 CD LYS A 44 94.042 -10.548 3.027 1.00 0.00 C ATOM 724 CE LYS A 44 93.726 -12.003 3.328 1.00 0.00 C ATOM 725 NZ LYS A 44 94.634 -12.570 4.358 1.00 0.00 N ATOM 0 H LYS A 44 92.202 -6.930 4.196 1.00 0.00 H new ATOM 0 HA LYS A 44 94.298 -7.709 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.934 -7.873 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.425 -8.332 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.246 -10.076 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.716 -9.583 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.435 -10.213 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.085 -10.460 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 44 92.694 -12.086 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 44 93.807 -12.588 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 94.573 -13.608 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 95.612 -12.278 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 94.354 -12.222 5.297 1.00 0.00 H new ATOM 739 N THR A 45 96.011 -5.925 5.611 1.00 0.00 N ATOM 740 CA THR A 45 96.939 -4.829 5.438 1.00 0.00 C ATOM 741 C THR A 45 98.348 -5.361 5.234 1.00 0.00 C ATOM 742 O THR A 45 98.803 -6.240 5.967 1.00 0.00 O ATOM 743 CB THR A 45 96.907 -3.860 6.637 1.00 0.00 C ATOM 744 OG1 THR A 45 96.982 -4.588 7.864 1.00 0.00 O ATOM 745 CG2 THR A 45 95.643 -3.015 6.630 1.00 0.00 C ATOM 0 H THR A 45 96.279 -6.599 6.328 1.00 0.00 H new ATOM 0 HA THR A 45 96.632 -4.273 4.552 1.00 0.00 H new ATOM 0 HB THR A 45 97.769 -3.198 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.577 -5.358 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 45 95.650 -2.342 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.601 -2.431 5.711 1.00 0.00 H new ATOM 0 HG23 THR A 45 94.770 -3.665 6.687 1.00 0.00 H new ATOM 753 N TYR A 46 99.026 -4.841 4.228 1.00 0.00 N ATOM 754 CA TYR A 46 100.370 -5.286 3.909 1.00 0.00 C ATOM 755 C TYR A 46 101.339 -4.122 4.031 1.00 0.00 C ATOM 756 O TYR A 46 100.992 -2.978 3.729 1.00 0.00 O ATOM 757 CB TYR A 46 100.425 -5.888 2.497 1.00 0.00 C ATOM 758 CG TYR A 46 100.233 -4.885 1.376 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.991 -4.317 1.124 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.299 -4.514 0.568 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.817 -3.407 0.100 1.00 0.00 C ATOM 762 CE2 TYR A 46 101.134 -3.605 -0.459 1.00 0.00 C ATOM 763 CZ TYR A 46 99.890 -3.054 -0.688 1.00 0.00 C ATOM 764 OH TYR A 46 99.724 -2.145 -1.710 1.00 0.00 O ATOM 0 H TYR A 46 98.667 -4.108 3.616 1.00 0.00 H new ATOM 0 HA TYR A 46 100.658 -6.064 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.387 -6.382 2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.657 -6.657 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.147 -4.592 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.274 -4.943 0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.844 -2.974 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.974 -3.327 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 46 100.580 -2.006 -2.167 1.00 0.00 H new ATOM 774 N VAL A 47 102.547 -4.411 4.484 1.00 0.00 N ATOM 775 CA VAL A 47 103.559 -3.381 4.632 1.00 0.00 C ATOM 776 C VAL A 47 104.423 -3.319 3.382 1.00 0.00 C ATOM 777 O VAL A 47 105.264 -4.190 3.150 1.00 0.00 O ATOM 778 CB VAL A 47 104.457 -3.633 5.862 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.445 -2.491 6.054 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.614 -3.827 7.114 1.00 0.00 C ATOM 0 H VAL A 47 102.849 -5.347 4.755 1.00 0.00 H new ATOM 0 HA VAL A 47 103.043 -2.432 4.777 1.00 0.00 H new ATOM 0 HB VAL A 47 105.023 -4.547 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.067 -2.691 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.077 -2.404 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.900 -1.559 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.267 -4.003 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.016 -2.933 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.954 -4.684 6.979 1.00 0.00 H new ATOM 790 N ILE A 48 104.201 -2.297 2.577 1.00 0.00 N ATOM 791 CA ILE A 48 104.971 -2.111 1.362 1.00 0.00 C ATOM 792 C ILE A 48 105.965 -0.973 1.543 1.00 0.00 C ATOM 793 O ILE A 48 105.613 0.106 2.025 1.00 0.00 O ATOM 794 CB ILE A 48 104.064 -1.837 0.135 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.914 -1.626 -1.124 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.154 -0.638 0.379 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.100 -1.424 -2.386 1.00 0.00 C ATOM 0 H ILE A 48 103.493 -1.582 2.743 1.00 0.00 H new ATOM 0 HA ILE A 48 105.510 -3.039 1.170 1.00 0.00 H new ATOM 0 HB ILE A 48 103.430 -2.710 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.557 -0.759 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.567 -2.488 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.530 -0.470 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.519 -0.833 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.761 0.247 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 48 104.771 -1.281 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.476 -2.301 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.466 -0.544 -2.273 1.00 0.00 H new ATOM 809 N GLU A 49 107.211 -1.228 1.191 1.00 0.00 N ATOM 810 CA GLU A 49 108.234 -0.208 1.271 1.00 0.00 C ATOM 811 C GLU A 49 108.272 0.566 -0.031 1.00 0.00 C ATOM 812 O GLU A 49 108.740 0.066 -1.055 1.00 0.00 O ATOM 813 CB GLU A 49 109.595 -0.829 1.571 1.00 0.00 C ATOM 814 CG GLU A 49 109.603 -1.655 2.843 1.00 0.00 C ATOM 815 CD GLU A 49 110.967 -2.219 3.159 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.438 -3.101 2.412 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.570 -1.787 4.160 1.00 0.00 O ATOM 0 H GLU A 49 107.537 -2.132 0.848 1.00 0.00 H new ATOM 0 HA GLU A 49 107.995 0.475 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.893 -1.459 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.339 -0.037 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 49 109.268 -1.037 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.889 -2.473 2.745 1.00 0.00 H new ATOM 1177 N LYS A 72 108.029 2.543 4.765 1.00 0.00 N ATOM 1178 CA LYS A 72 107.150 1.428 5.089 1.00 0.00 C ATOM 1179 C LYS A 72 105.710 1.905 5.228 1.00 0.00 C ATOM 1180 O LYS A 72 105.345 2.526 6.227 1.00 0.00 O ATOM 1181 CB LYS A 72 107.597 0.748 6.387 1.00 0.00 C ATOM 1182 CG LYS A 72 108.982 0.122 6.317 1.00 0.00 C ATOM 1183 CD LYS A 72 109.366 -0.506 7.649 1.00 0.00 C ATOM 1184 CE LYS A 72 110.745 -1.147 7.601 1.00 0.00 C ATOM 1185 NZ LYS A 72 110.806 -2.282 6.642 1.00 0.00 N ATOM 0 HA LYS A 72 107.207 0.706 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.582 1.482 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.874 -0.025 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.003 -0.636 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.715 0.882 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.348 0.256 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.626 -1.258 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.483 -0.396 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.014 -1.500 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 111.637 -2.871 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 109.943 -2.856 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 110.881 -1.914 5.672 1.00 0.00 H new ATOM 1199 N ILE A 73 104.902 1.626 4.218 1.00 0.00 N ATOM 1200 CA ILE A 73 103.502 2.014 4.233 1.00 0.00 C ATOM 1201 C ILE A 73 102.610 0.784 4.373 1.00 0.00 C ATOM 1202 O ILE A 73 102.605 -0.098 3.513 1.00 0.00 O ATOM 1203 CB ILE A 73 103.107 2.787 2.957 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.043 3.981 2.743 1.00 0.00 C ATOM 1205 CG2 ILE A 73 101.663 3.260 3.054 1.00 0.00 C ATOM 1206 CD1 ILE A 73 103.774 4.745 1.464 1.00 0.00 C ATOM 0 H ILE A 73 105.193 1.131 3.375 1.00 0.00 H new ATOM 0 HA ILE A 73 103.360 2.672 5.090 1.00 0.00 H new ATOM 0 HB ILE A 73 103.200 2.117 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 73 103.948 4.662 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.074 3.626 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.397 3.804 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.005 2.399 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.552 3.917 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.475 5.575 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 73 103.898 4.079 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 73 102.755 5.131 1.478 1.00 0.00 H new ATOM 1218 N LYS A 74 101.872 0.729 5.467 1.00 0.00 N ATOM 1219 CA LYS A 74 100.959 -0.374 5.726 1.00 0.00 C ATOM 1220 C LYS A 74 99.602 -0.076 5.087 1.00 0.00 C ATOM 1221 O LYS A 74 98.756 0.575 5.688 1.00 0.00 O ATOM 1222 CB LYS A 74 100.829 -0.572 7.244 1.00 0.00 C ATOM 1223 CG LYS A 74 100.224 -1.899 7.677 1.00 0.00 C ATOM 1224 CD LYS A 74 100.448 -2.119 9.169 1.00 0.00 C ATOM 1225 CE LYS A 74 99.977 -3.489 9.640 1.00 0.00 C ATOM 1226 NZ LYS A 74 98.499 -3.571 9.754 1.00 0.00 N ATOM 0 H LYS A 74 101.887 1.441 6.197 1.00 0.00 H new ATOM 0 HA LYS A 74 101.344 -1.295 5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.818 -0.479 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.219 0.236 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.156 -1.909 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.674 -2.714 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.509 -2.008 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.921 -1.346 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.328 -4.250 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.426 -3.712 10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.245 -4.271 10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.119 -2.641 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.096 -3.859 8.840 1.00 0.00 H new ATOM 1240 N LYS A 75 99.425 -0.526 3.847 1.00 0.00 N ATOM 1241 CA LYS A 75 98.209 -0.243 3.083 1.00 0.00 C ATOM 1242 C LYS A 75 97.175 -1.344 3.272 1.00 0.00 C ATOM 1243 O LYS A 75 97.509 -2.456 3.676 1.00 0.00 O ATOM 1244 CB LYS A 75 98.539 -0.065 1.600 1.00 0.00 C ATOM 1245 CG LYS A 75 99.349 1.189 1.315 1.00 0.00 C ATOM 1246 CD LYS A 75 99.650 1.356 -0.166 1.00 0.00 C ATOM 1247 CE LYS A 75 100.362 2.673 -0.433 1.00 0.00 C ATOM 1248 NZ LYS A 75 100.636 2.887 -1.880 1.00 0.00 N ATOM 0 H LYS A 75 100.111 -1.091 3.347 1.00 0.00 H new ATOM 0 HA LYS A 75 97.782 0.687 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 75 99.094 -0.936 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.611 -0.028 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.802 2.061 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.285 1.149 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 75 100.269 0.528 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.722 1.319 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.753 3.495 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 75 101.302 2.693 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 101.122 3.797 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 101.239 2.118 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.739 2.895 -2.406 1.00 0.00 H new ATOM 1262 N VAL A 76 95.922 -1.030 2.966 1.00 0.00 N ATOM 1263 CA VAL A 76 94.818 -1.939 3.236 1.00 0.00 C ATOM 1264 C VAL A 76 94.167 -2.417 1.941 1.00 0.00 C ATOM 1265 O VAL A 76 94.092 -1.675 0.960 1.00 0.00 O ATOM 1266 CB VAL A 76 93.757 -1.263 4.141 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.133 -0.055 3.456 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.685 -2.255 4.560 1.00 0.00 C ATOM 0 H VAL A 76 95.646 -0.150 2.530 1.00 0.00 H new ATOM 0 HA VAL A 76 95.226 -2.805 3.757 1.00 0.00 H new ATOM 0 HB VAL A 76 94.267 -0.913 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.393 0.396 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.909 0.675 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.649 -0.371 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 76 91.954 -1.754 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.187 -2.649 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.144 -3.075 5.113 1.00 0.00 H new ATOM 1278 N TYR A 77 93.731 -3.671 1.934 1.00 0.00 N ATOM 1279 CA TYR A 77 93.026 -4.230 0.795 1.00 0.00 C ATOM 1280 C TYR A 77 92.129 -5.385 1.229 1.00 0.00 C ATOM 1281 O TYR A 77 92.288 -5.932 2.323 1.00 0.00 O ATOM 1282 CB TYR A 77 94.021 -4.715 -0.270 1.00 0.00 C ATOM 1283 CG TYR A 77 94.804 -5.954 0.117 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.957 -5.864 0.888 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.391 -7.214 -0.297 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.674 -6.994 1.233 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.101 -8.347 0.045 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.241 -8.232 0.809 1.00 0.00 C ATOM 1289 OH TYR A 77 96.950 -9.360 1.149 1.00 0.00 O ATOM 0 H TYR A 77 93.856 -4.320 2.711 1.00 0.00 H new ATOM 0 HA TYR A 77 92.403 -3.445 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.476 -4.919 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.723 -3.910 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.298 -4.896 1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.498 -7.309 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.569 -6.907 1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.764 -9.319 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 77 96.509 -10.150 0.771 1.00 0.00 H new ATOM 1299 N PHE A 78 91.183 -5.745 0.378 1.00 0.00 N ATOM 1300 CA PHE A 78 90.399 -6.953 0.579 1.00 0.00 C ATOM 1301 C PHE A 78 90.249 -7.682 -0.747 1.00 0.00 C ATOM 1302 O PHE A 78 90.254 -7.058 -1.810 1.00 0.00 O ATOM 1303 CB PHE A 78 89.029 -6.651 1.207 1.00 0.00 C ATOM 1304 CG PHE A 78 88.080 -5.879 0.332 1.00 0.00 C ATOM 1305 CD1 PHE A 78 88.088 -4.496 0.327 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.164 -6.543 -0.471 1.00 0.00 C ATOM 1307 CE1 PHE A 78 87.207 -3.785 -0.467 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.280 -5.839 -1.264 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.302 -4.459 -1.262 1.00 0.00 C ATOM 0 H PHE A 78 90.939 -5.217 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 78 90.927 -7.595 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.558 -7.594 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.185 -6.091 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.791 -3.965 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.142 -7.623 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.227 -2.705 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.572 -6.368 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.611 -3.907 -1.882 1.00 0.00 H new ATOM 1319 N GLU A 79 90.133 -8.998 -0.684 1.00 0.00 N ATOM 1320 CA GLU A 79 90.118 -9.819 -1.881 1.00 0.00 C ATOM 1321 C GLU A 79 88.819 -10.609 -1.969 1.00 0.00 C ATOM 1322 O GLU A 79 88.356 -11.163 -0.972 1.00 0.00 O ATOM 1323 CB GLU A 79 91.316 -10.771 -1.864 1.00 0.00 C ATOM 1324 CG GLU A 79 91.522 -11.537 -3.159 1.00 0.00 C ATOM 1325 CD GLU A 79 92.701 -12.485 -3.083 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.709 -12.137 -2.435 1.00 0.00 O ATOM 1327 OE2 GLU A 79 92.624 -13.587 -3.660 1.00 0.00 O ATOM 0 H GLU A 79 90.048 -9.521 0.187 1.00 0.00 H new ATOM 0 HA GLU A 79 90.185 -9.172 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 79 92.218 -10.198 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.187 -11.484 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.619 -12.101 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.677 -10.832 -3.975 1.00 0.00 H new ATOM 1334 N THR A 80 88.226 -10.642 -3.153 1.00 0.00 N ATOM 1335 CA THR A 80 87.013 -11.413 -3.373 1.00 0.00 C ATOM 1336 C THR A 80 87.355 -12.793 -3.930 1.00 0.00 C ATOM 1337 O THR A 80 88.529 -13.129 -4.098 1.00 0.00 O ATOM 1338 CB THR A 80 86.058 -10.691 -4.346 1.00 0.00 C ATOM 1339 OG1 THR A 80 86.715 -10.452 -5.598 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.578 -9.372 -3.759 1.00 0.00 C ATOM 0 H THR A 80 88.565 -10.144 -3.976 1.00 0.00 H new ATOM 0 HA THR A 80 86.512 -11.521 -2.411 1.00 0.00 H new ATOM 0 HB THR A 80 85.193 -11.334 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.130 -10.731 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 80 84.906 -8.883 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.049 -9.561 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.435 -8.726 -3.566 1.00 0.00 H new ATOM 1348 N LEU A 81 86.329 -13.583 -4.237 1.00 0.00 N ATOM 1349 CA LEU A 81 86.524 -14.921 -4.799 1.00 0.00 C ATOM 1350 C LEU A 81 87.167 -14.838 -6.182 1.00 0.00 C ATOM 1351 O LEU A 81 87.658 -15.832 -6.720 1.00 0.00 O ATOM 1352 CB LEU A 81 85.191 -15.677 -4.895 1.00 0.00 C ATOM 1353 CG LEU A 81 84.554 -16.098 -3.561 1.00 0.00 C ATOM 1354 CD1 LEU A 81 84.004 -14.895 -2.807 1.00 0.00 C ATOM 1355 CD2 LEU A 81 83.454 -17.121 -3.803 1.00 0.00 C ATOM 0 H LEU A 81 85.352 -13.321 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 81 87.189 -15.466 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.479 -15.050 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.347 -16.571 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 81 85.330 -16.552 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.560 -15.226 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.813 -14.195 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.244 -14.402 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 81 83.011 -17.411 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 81 82.686 -16.685 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.876 -18.000 -4.290 1.00 0.00 H new ATOM 1367 N ASP A 82 87.171 -13.634 -6.743 1.00 0.00 N ATOM 1368 CA ASP A 82 87.738 -13.392 -8.063 1.00 0.00 C ATOM 1369 C ASP A 82 89.257 -13.293 -7.984 1.00 0.00 C ATOM 1370 O ASP A 82 89.933 -13.242 -9.012 1.00 0.00 O ATOM 1371 CB ASP A 82 87.191 -12.084 -8.645 1.00 0.00 C ATOM 1372 CG ASP A 82 85.684 -11.975 -8.556 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.181 -11.515 -7.509 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.997 -12.332 -9.531 1.00 0.00 O ATOM 0 H ASP A 82 86.783 -12.802 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 82 87.460 -14.228 -8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.641 -11.243 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.493 -12.004 -9.689 1.00 0.00 H new ATOM 1379 N ASN A 83 89.777 -13.255 -6.751 1.00 0.00 N ATOM 1380 CA ASN A 83 91.205 -13.040 -6.494 1.00 0.00 C ATOM 1381 C ASN A 83 91.594 -11.612 -6.845 1.00 0.00 C ATOM 1382 O ASN A 83 92.772 -11.286 -6.993 1.00 0.00 O ATOM 1383 CB ASN A 83 92.079 -14.043 -7.261 1.00 0.00 C ATOM 1384 CG ASN A 83 92.012 -15.445 -6.684 1.00 0.00 C ATOM 1385 OD1 ASN A 83 91.998 -16.429 -7.426 1.00 0.00 O ATOM 1386 ND2 ASN A 83 92.011 -15.556 -5.363 1.00 0.00 N ATOM 0 H ASN A 83 89.220 -13.372 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 83 91.380 -13.203 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.764 -14.069 -8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 83 93.113 -13.700 -7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 83 91.998 -16.479 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 83 92.023 -14.719 -4.781 1.00 0.00 H new ATOM 1393 N VAL A 84 90.585 -10.761 -6.966 1.00 0.00 N ATOM 1394 CA VAL A 84 90.800 -9.350 -7.214 1.00 0.00 C ATOM 1395 C VAL A 84 90.921 -8.617 -5.887 1.00 0.00 C ATOM 1396 O VAL A 84 90.020 -8.678 -5.046 1.00 0.00 O ATOM 1397 CB VAL A 84 89.658 -8.734 -8.049 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.904 -7.253 -8.288 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.505 -9.468 -9.372 1.00 0.00 C ATOM 0 H VAL A 84 89.604 -11.030 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 84 91.721 -9.244 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 84 88.731 -8.841 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.087 -6.839 -8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.959 -6.734 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.843 -7.122 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.695 -9.018 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.434 -9.396 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.277 -10.517 -9.182 1.00 0.00 H new ATOM 1409 N ARG A 85 92.043 -7.950 -5.701 1.00 0.00 N ATOM 1410 CA ARG A 85 92.328 -7.260 -4.459 1.00 0.00 C ATOM 1411 C ARG A 85 92.054 -5.770 -4.596 1.00 0.00 C ATOM 1412 O ARG A 85 92.685 -5.079 -5.399 1.00 0.00 O ATOM 1413 CB ARG A 85 93.781 -7.506 -4.051 1.00 0.00 C ATOM 1414 CG ARG A 85 94.074 -8.972 -3.786 1.00 0.00 C ATOM 1415 CD ARG A 85 95.535 -9.221 -3.460 1.00 0.00 C ATOM 1416 NE ARG A 85 95.746 -10.596 -3.016 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.936 -11.145 -2.785 1.00 0.00 C ATOM 1418 NH1 ARG A 85 98.049 -10.456 -2.999 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.006 -12.400 -2.360 1.00 0.00 N ATOM 0 H ARG A 85 92.779 -7.871 -6.403 1.00 0.00 H new ATOM 0 HA ARG A 85 91.672 -7.652 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.442 -7.144 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 85 94.006 -6.927 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.456 -9.319 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.795 -9.559 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.147 -9.022 -4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.860 -8.530 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 85 94.921 -11.178 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.997 -9.497 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.957 -10.885 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.151 -12.937 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.914 -12.828 -2.181 1.00 0.00 H new ATOM 1433 N VAL A 86 91.094 -5.290 -3.826 1.00 0.00 N ATOM 1434 CA VAL A 86 90.774 -3.874 -3.795 1.00 0.00 C ATOM 1435 C VAL A 86 91.672 -3.171 -2.788 1.00 0.00 C ATOM 1436 O VAL A 86 91.486 -3.304 -1.580 1.00 0.00 O ATOM 1437 CB VAL A 86 89.293 -3.630 -3.434 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.978 -2.142 -3.415 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.379 -4.358 -4.409 1.00 0.00 C ATOM 0 H VAL A 86 90.519 -5.864 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 86 90.944 -3.469 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 86 89.117 -4.027 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.929 -1.995 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.606 -1.647 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 86 89.174 -1.716 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.339 -4.175 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.561 -3.993 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.581 -5.428 -4.367 1.00 0.00 H new ATOM 1449 N VAL A 87 92.657 -2.446 -3.299 1.00 0.00 N ATOM 1450 CA VAL A 87 93.661 -1.810 -2.458 1.00 0.00 C ATOM 1451 C VAL A 87 93.362 -0.324 -2.296 1.00 0.00 C ATOM 1452 O VAL A 87 92.895 0.333 -3.231 1.00 0.00 O ATOM 1453 CB VAL A 87 95.079 -1.983 -3.052 1.00 0.00 C ATOM 1454 CG1 VAL A 87 96.140 -1.482 -2.080 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.338 -3.436 -3.423 1.00 0.00 C ATOM 0 H VAL A 87 92.782 -2.283 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 87 93.626 -2.296 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 87 95.137 -1.383 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 87 97.128 -1.614 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.974 -0.425 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 87 96.078 -2.048 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.341 -3.532 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.252 -4.060 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.606 -3.758 -4.164 1.00 0.00 H new ATOM 1465 N THR A 88 93.616 0.194 -1.104 1.00 0.00 N ATOM 1466 CA THR A 88 93.425 1.603 -0.813 1.00 0.00 C ATOM 1467 C THR A 88 94.409 2.025 0.279 1.00 0.00 C ATOM 1468 O THR A 88 94.906 1.182 1.029 1.00 0.00 O ATOM 1469 CB THR A 88 91.966 1.882 -0.375 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.063 1.414 -1.384 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.721 3.366 -0.140 1.00 0.00 C ATOM 0 H THR A 88 93.960 -0.351 -0.313 1.00 0.00 H new ATOM 0 HA THR A 88 93.614 2.186 -1.715 1.00 0.00 H new ATOM 0 HB THR A 88 91.796 1.355 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.313 0.947 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.686 3.520 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.388 3.725 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.913 3.917 -1.061 1.00 0.00 H new ATOM 1479 N ASP A 89 94.716 3.313 0.353 1.00 0.00 N ATOM 1480 CA ASP A 89 95.669 3.802 1.338 1.00 0.00 C ATOM 1481 C ASP A 89 95.067 3.739 2.737 1.00 0.00 C ATOM 1482 O ASP A 89 94.031 4.347 3.012 1.00 0.00 O ATOM 1483 CB ASP A 89 96.105 5.226 1.012 1.00 0.00 C ATOM 1484 CG ASP A 89 97.281 5.656 1.860 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.062 6.147 2.984 1.00 0.00 O ATOM 1486 OD2 ASP A 89 98.429 5.487 1.405 1.00 0.00 O ATOM 0 H ASP A 89 94.322 4.033 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 89 96.550 3.160 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.372 5.293 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.271 5.909 1.173 1.00 0.00 H new ATOM 1491 N TYR A 90 95.728 2.997 3.614 1.00 0.00 N ATOM 1492 CA TYR A 90 95.221 2.742 4.958 1.00 0.00 C ATOM 1493 C TYR A 90 95.400 3.965 5.850 1.00 0.00 C ATOM 1494 O TYR A 90 94.622 4.181 6.777 1.00 0.00 O ATOM 1495 CB TYR A 90 95.942 1.525 5.542 1.00 0.00 C ATOM 1496 CG TYR A 90 95.370 0.988 6.838 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.000 0.819 7.009 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.211 0.618 7.878 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.488 0.298 8.183 1.00 0.00 C ATOM 1500 CE2 TYR A 90 95.707 0.101 9.054 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.347 -0.058 9.204 1.00 0.00 C ATOM 1502 OH TYR A 90 93.847 -0.580 10.375 1.00 0.00 O ATOM 0 H TYR A 90 96.626 2.556 3.417 1.00 0.00 H new ATOM 0 HA TYR A 90 94.152 2.534 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 90 95.928 0.726 4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 90 96.987 1.788 5.708 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.326 1.099 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.278 0.737 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.422 0.170 8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.377 -0.178 9.854 1.00 0.00 H new ATOM 0 HH TYR A 90 94.586 -0.778 10.987 1.00 0.00 H new ATOM 1512 N SER A 91 96.403 4.780 5.547 1.00 0.00 N ATOM 1513 CA SER A 91 96.647 5.994 6.307 1.00 0.00 C ATOM 1514 C SER A 91 95.538 7.004 6.026 1.00 0.00 C ATOM 1515 O SER A 91 95.014 7.644 6.942 1.00 0.00 O ATOM 1516 CB SER A 91 98.021 6.580 5.956 1.00 0.00 C ATOM 1517 OG SER A 91 98.320 7.717 6.748 1.00 0.00 O ATOM 0 H SER A 91 97.058 4.621 4.781 1.00 0.00 H new ATOM 0 HA SER A 91 96.646 5.757 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.789 5.821 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.042 6.855 4.901 1.00 0.00 H new ATOM 0 HG SER A 91 99.202 8.065 6.501 1.00 0.00 H new ATOM 1523 N GLU A 92 95.176 7.131 4.752 1.00 0.00 N ATOM 1524 CA GLU A 92 94.060 7.979 4.352 1.00 0.00 C ATOM 1525 C GLU A 92 92.753 7.444 4.930 1.00 0.00 C ATOM 1526 O GLU A 92 91.919 8.206 5.420 1.00 0.00 O ATOM 1527 CB GLU A 92 93.952 8.047 2.828 1.00 0.00 C ATOM 1528 CG GLU A 92 95.180 8.621 2.140 1.00 0.00 C ATOM 1529 CD GLU A 92 95.503 10.025 2.596 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.829 10.973 2.143 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.428 10.192 3.417 1.00 0.00 O ATOM 0 H GLU A 92 95.641 6.656 3.979 1.00 0.00 H new ATOM 0 HA GLU A 92 94.242 8.981 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.770 7.044 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.085 8.652 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.036 7.975 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.020 8.622 1.062 1.00 0.00 H new ATOM 1538 N PHE A 93 92.589 6.125 4.875 1.00 0.00 N ATOM 1539 CA PHE A 93 91.387 5.474 5.382 1.00 0.00 C ATOM 1540 C PHE A 93 91.241 5.697 6.886 1.00 0.00 C ATOM 1541 O PHE A 93 90.166 6.059 7.368 1.00 0.00 O ATOM 1542 CB PHE A 93 91.425 3.976 5.063 1.00 0.00 C ATOM 1543 CG PHE A 93 90.187 3.229 5.479 1.00 0.00 C ATOM 1544 CD1 PHE A 93 88.951 3.552 4.940 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.262 2.199 6.402 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.814 2.864 5.317 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.127 1.507 6.784 1.00 0.00 C ATOM 1548 CZ PHE A 93 87.901 1.840 6.240 1.00 0.00 C ATOM 0 H PHE A 93 93.278 5.484 4.482 1.00 0.00 H new ATOM 0 HA PHE A 93 90.521 5.917 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.571 3.847 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.288 3.532 5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.876 4.351 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.218 1.933 6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.857 3.127 4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.199 0.707 7.506 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.013 1.301 6.536 1.00 0.00 H new ATOM 1558 N GLN A 94 92.328 5.500 7.625 1.00 0.00 N ATOM 1559 CA GLN A 94 92.316 5.717 9.066 1.00 0.00 C ATOM 1560 C GLN A 94 92.096 7.188 9.395 1.00 0.00 C ATOM 1561 O GLN A 94 91.525 7.517 10.430 1.00 0.00 O ATOM 1562 CB GLN A 94 93.612 5.223 9.707 1.00 0.00 C ATOM 1563 CG GLN A 94 93.702 3.711 9.813 1.00 0.00 C ATOM 1564 CD GLN A 94 94.861 3.262 10.679 1.00 0.00 C ATOM 1565 OE1 GLN A 94 95.974 3.057 10.199 1.00 0.00 O ATOM 1566 NE2 GLN A 94 94.606 3.099 11.967 1.00 0.00 N ATOM 0 H GLN A 94 93.225 5.191 7.251 1.00 0.00 H new ATOM 0 HA GLN A 94 91.486 5.142 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.458 5.589 9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.701 5.654 10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 94 92.771 3.322 10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 94 93.811 3.285 8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 94 93.669 3.279 12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 94 95.346 2.793 12.599 1.00 0.00 H new ATOM 1575 N LYS A 95 92.542 8.069 8.507 1.00 0.00 N ATOM 1576 CA LYS A 95 92.325 9.502 8.672 1.00 0.00 C ATOM 1577 C LYS A 95 90.831 9.821 8.625 1.00 0.00 C ATOM 1578 O LYS A 95 90.352 10.725 9.311 1.00 0.00 O ATOM 1579 CB LYS A 95 93.083 10.273 7.586 1.00 0.00 C ATOM 1580 CG LYS A 95 92.907 11.782 7.646 1.00 0.00 C ATOM 1581 CD LYS A 95 93.826 12.486 6.657 1.00 0.00 C ATOM 1582 CE LYS A 95 93.609 11.989 5.234 1.00 0.00 C ATOM 1583 NZ LYS A 95 94.570 12.594 4.278 1.00 0.00 N ATOM 0 H LYS A 95 93.057 7.816 7.664 1.00 0.00 H new ATOM 0 HA LYS A 95 92.706 9.811 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.145 10.040 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.752 9.920 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.870 12.038 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.117 12.135 8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.649 13.561 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 95 94.864 12.322 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 95 93.709 10.904 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 95 92.591 12.222 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 94.386 12.228 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.458 13.628 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 95.541 12.351 4.561 1.00 0.00 H new ATOM 1597 N ILE A 96 90.097 9.057 7.823 1.00 0.00 N ATOM 1598 CA ILE A 96 88.650 9.201 7.741 1.00 0.00 C ATOM 1599 C ILE A 96 87.984 8.601 8.980 1.00 0.00 C ATOM 1600 O ILE A 96 87.037 9.169 9.526 1.00 0.00 O ATOM 1601 CB ILE A 96 88.087 8.534 6.467 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.716 9.172 5.225 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.569 8.652 6.420 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.256 8.553 3.923 1.00 0.00 C ATOM 0 H ILE A 96 90.482 8.330 7.220 1.00 0.00 H new ATOM 0 HA ILE A 96 88.427 10.267 7.693 1.00 0.00 H new ATOM 0 HB ILE A 96 88.340 7.474 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.479 10.236 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.801 9.087 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.195 8.175 5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.139 8.161 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.286 9.705 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.744 9.057 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.517 7.495 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.175 8.661 3.831 1.00 0.00 H new ATOM 1616 N LEU A 97 88.500 7.465 9.435 1.00 0.00 N ATOM 1617 CA LEU A 97 88.002 6.835 10.655 1.00 0.00 C ATOM 1618 C LEU A 97 88.285 7.727 11.860 1.00 0.00 C ATOM 1619 O LEU A 97 87.542 7.727 12.841 1.00 0.00 O ATOM 1620 CB LEU A 97 88.650 5.462 10.858 1.00 0.00 C ATOM 1621 CG LEU A 97 88.413 4.452 9.731 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.094 3.131 10.050 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.923 4.241 9.499 1.00 0.00 C ATOM 0 H LEU A 97 89.261 6.961 8.980 1.00 0.00 H new ATOM 0 HA LEU A 97 86.925 6.699 10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.724 5.600 10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.276 5.036 11.789 1.00 0.00 H new ATOM 0 HG LEU A 97 88.847 4.854 8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 97 88.916 2.425 9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.166 3.292 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.689 2.728 10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.779 3.520 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.463 3.863 10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.460 5.189 9.224 1.00 0.00 H new ATOM 1635 N LYS A 98 89.372 8.480 11.768 1.00 0.00 N ATOM 1636 CA LYS A 98 89.741 9.458 12.781 1.00 0.00 C ATOM 1637 C LYS A 98 88.734 10.608 12.804 1.00 0.00 C ATOM 1638 O LYS A 98 88.387 11.123 13.868 1.00 0.00 O ATOM 1639 CB LYS A 98 91.160 9.963 12.495 1.00 0.00 C ATOM 1640 CG LYS A 98 91.623 11.116 13.370 1.00 0.00 C ATOM 1641 CD LYS A 98 93.092 11.431 13.118 1.00 0.00 C ATOM 1642 CE LYS A 98 93.489 12.785 13.682 1.00 0.00 C ATOM 1643 NZ LYS A 98 92.855 13.900 12.930 1.00 0.00 N ATOM 0 H LYS A 98 90.025 8.429 10.986 1.00 0.00 H new ATOM 0 HA LYS A 98 89.726 8.992 13.766 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.856 9.133 12.617 1.00 0.00 H new ATOM 0 HB3 LYS A 98 91.215 10.274 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.017 11.999 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.476 10.863 14.420 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.711 10.655 13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.288 11.413 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 98 93.199 12.842 14.731 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.573 12.891 13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 93.365 14.785 13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.893 13.697 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 91.863 13.999 13.226 1.00 0.00 H new ATOM 1657 N LYS A 99 88.258 10.986 11.620 1.00 0.00 N ATOM 1658 CA LYS A 99 87.218 12.003 11.490 1.00 0.00 C ATOM 1659 C LYS A 99 85.923 11.520 12.126 1.00 0.00 C ATOM 1660 O LYS A 99 85.282 12.239 12.892 1.00 0.00 O ATOM 1661 CB LYS A 99 86.954 12.318 10.013 1.00 0.00 C ATOM 1662 CG LYS A 99 88.109 12.990 9.297 1.00 0.00 C ATOM 1663 CD LYS A 99 87.880 13.015 7.795 1.00 0.00 C ATOM 1664 CE LYS A 99 88.947 13.824 7.077 1.00 0.00 C ATOM 1665 NZ LYS A 99 88.844 15.275 7.385 1.00 0.00 N ATOM 0 H LYS A 99 88.579 10.600 10.732 1.00 0.00 H new ATOM 0 HA LYS A 99 87.564 12.903 11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 99 86.712 11.390 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.076 12.961 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 99 88.228 14.008 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 99 89.036 12.461 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.876 11.995 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.898 13.439 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 99 89.933 13.461 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 99 88.854 13.674 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 89.434 15.814 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 87.854 15.580 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 89.173 15.448 8.356 1.00 0.00 H new ATOM 1679 N ARG A 100 85.552 10.292 11.793 1.00 0.00 N ATOM 1680 CA ARG A 100 84.314 9.695 12.275 1.00 0.00 C ATOM 1681 C ARG A 100 84.386 9.425 13.775 1.00 0.00 C ATOM 1682 O ARG A 100 83.407 9.605 14.500 1.00 0.00 O ATOM 1683 CB ARG A 100 84.049 8.388 11.526 1.00 0.00 C ATOM 1684 CG ARG A 100 82.674 7.796 11.784 1.00 0.00 C ATOM 1685 CD ARG A 100 82.556 6.400 11.197 1.00 0.00 C ATOM 1686 NE ARG A 100 81.186 5.898 11.242 1.00 0.00 N ATOM 1687 CZ ARG A 100 80.751 4.988 12.110 1.00 0.00 C ATOM 1688 NH1 ARG A 100 81.561 4.513 13.048 1.00 0.00 N ATOM 1689 NH2 ARG A 100 79.499 4.555 12.043 1.00 0.00 N ATOM 0 H ARG A 100 86.098 9.683 11.183 1.00 0.00 H new ATOM 0 HA ARG A 100 83.499 10.395 12.092 1.00 0.00 H new ATOM 0 HB2 ARG A 100 84.162 8.565 10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 100 84.807 7.658 11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.487 7.759 12.857 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.910 8.441 11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 100 82.903 6.411 10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 100 83.209 5.721 11.745 1.00 0.00 H new ATOM 0 HE ARG A 100 80.519 6.269 10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 100 82.524 4.845 13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 100 81.221 3.816 13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 100 78.871 4.920 11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 100 79.164 3.857 12.708 1.00 0.00 H new ATOM 1703 N GLY A 101 85.551 8.995 14.233 1.00 0.00 N ATOM 1704 CA GLY A 101 85.711 8.635 15.624 1.00 0.00 C ATOM 1705 C GLY A 101 85.340 7.188 15.862 1.00 0.00 C ATOM 1706 O GLY A 101 84.706 6.857 16.861 1.00 0.00 O ATOM 0 H GLY A 101 86.391 8.889 13.664 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.744 8.803 15.929 1.00 0.00 H new ATOM 0 HA3 GLY A 101 85.087 9.279 16.243 1.00 0.00 H new