USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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: X 26 ASN : amide:sc= 0 K(o=0,f=0.73) USER MOD Set 1.2: X 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 5 ASN : amide:sc= 0.151 K(o=0.15,f=-5!) USER MOD Set 2.2: X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 4 LYS NZ :NH3+ 145:sc= 1.61 (180deg=1.25) USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 167:sc= -1.29 USER MOD Single : X 11 THR OG1 : rot -175:sc= -1.21! USER MOD Single : X 17 GLN : amide:sc= -1.39 K(o=-1.4,f=0.71) USER MOD Single : X 20 LYS NZ :NH3+ 171:sc= 0.926 (180deg=0.859) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : X 30 THR OG1 : rot -97:sc= 0.524 USER MOD Single : X 40 HIS : no HE2:sc= -1.76! X(o=-1.8!,f=-1.6) USER MOD Single : X 43 LYS NZ :NH3+ 178:sc= -0.169 (180deg=-0.185) USER MOD Single : X 45 THR OG1 : rot -83:sc= 0.208 USER MOD Single : X 47 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.8) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : X 64 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.37) USER MOD Single : X 77 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.17) USER MOD Single : X 80 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00422) USER MOD Single : X 86 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.88) USER MOD Single : X 88 LYS NZ :NH3+ 170:sc= -0.0242 (180deg=-0.118) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 59.311 2.721 6.318 1.00 0.00 N ATOM 2 CA GLU X 2 59.647 3.838 7.190 1.00 0.00 C ATOM 3 C GLU X 2 60.867 4.561 6.661 1.00 0.00 C ATOM 4 O GLU X 2 62.021 4.121 6.848 1.00 0.00 O ATOM 5 CB GLU X 2 59.894 3.364 8.617 1.00 0.00 C ATOM 6 CG GLU X 2 58.801 2.470 9.154 1.00 0.00 C ATOM 7 CD GLU X 2 57.438 3.066 9.002 1.00 0.00 C ATOM 8 OE1 GLU X 2 56.991 3.782 9.908 1.00 0.00 O ATOM 9 OE2 GLU X 2 56.787 2.810 7.971 1.00 0.00 O ATOM 0 HA GLU X 2 58.802 4.526 7.204 1.00 0.00 H new ATOM 0 HB2 GLU X 2 60.842 2.827 8.654 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.994 4.233 9.268 1.00 0.00 H new ATOM 0 HG2 GLU X 2 58.834 1.512 8.635 1.00 0.00 H new ATOM 0 HG3 GLU X 2 58.989 2.268 10.209 1.00 0.00 H new ATOM 16 N LEU X 3 60.614 5.654 6.017 1.00 0.00 N ATOM 17 CA LEU X 3 61.622 6.452 5.379 1.00 0.00 C ATOM 18 C LEU X 3 62.121 7.514 6.335 1.00 0.00 C ATOM 19 O LEU X 3 61.407 7.913 7.263 1.00 0.00 O ATOM 20 CB LEU X 3 61.025 7.080 4.138 1.00 0.00 C ATOM 21 CG LEU X 3 60.525 6.087 3.091 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.758 6.791 1.994 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.684 5.332 2.490 1.00 0.00 C ATOM 0 H LEU X 3 59.672 6.032 5.915 1.00 0.00 H new ATOM 0 HA LEU X 3 62.472 5.831 5.095 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.195 7.720 4.436 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.775 7.724 3.678 1.00 0.00 H new ATOM 0 HG LEU X 3 59.855 5.387 3.590 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.414 6.059 1.263 1.00 0.00 H new ATOM 0 HD12 LEU X 3 58.899 7.306 2.424 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.407 7.516 1.504 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.313 4.628 1.745 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.369 6.035 2.015 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.209 4.787 3.274 1.00 0.00 H new ATOM 35 N LYS X 4 63.338 7.941 6.132 1.00 0.00 N ATOM 36 CA LYS X 4 64.006 8.885 7.028 1.00 0.00 C ATOM 37 C LYS X 4 64.398 10.131 6.292 1.00 0.00 C ATOM 38 O LYS X 4 64.117 10.280 5.103 1.00 0.00 O ATOM 39 CB LYS X 4 65.282 8.249 7.617 1.00 0.00 C ATOM 40 CG LYS X 4 65.131 7.377 8.861 1.00 0.00 C ATOM 41 CD LYS X 4 64.018 6.429 8.775 1.00 0.00 C ATOM 42 CE LYS X 4 64.052 5.405 9.883 1.00 0.00 C ATOM 43 NZ LYS X 4 62.897 4.489 9.795 1.00 0.00 N ATOM 0 H LYS X 4 63.909 7.650 5.339 1.00 0.00 H new ATOM 0 HA LYS X 4 63.307 9.136 7.826 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.746 7.644 6.838 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.979 9.053 7.854 1.00 0.00 H new ATOM 0 HG2 LYS X 4 66.057 6.825 9.023 1.00 0.00 H new ATOM 0 HG3 LYS X 4 64.986 8.019 9.730 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.075 6.974 8.816 1.00 0.00 H new ATOM 0 HD3 LYS X 4 64.050 5.920 7.812 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.979 4.834 9.826 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.047 5.910 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.186 3.536 10.096 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.134 4.832 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.556 4.453 8.813 1.00 0.00 H new ATOM 57 N ASN X 5 65.032 11.029 6.993 1.00 0.00 N ATOM 58 CA ASN X 5 65.570 12.209 6.375 1.00 0.00 C ATOM 59 C ASN X 5 66.944 11.893 5.785 1.00 0.00 C ATOM 60 O ASN X 5 67.216 12.188 4.629 1.00 0.00 O ATOM 61 CB ASN X 5 65.628 13.414 7.361 1.00 0.00 C ATOM 62 CG ASN X 5 66.543 13.231 8.582 1.00 0.00 C ATOM 63 OD1 ASN X 5 66.763 12.116 9.071 1.00 0.00 O ATOM 64 ND2 ASN X 5 67.057 14.318 9.089 1.00 0.00 N ATOM 0 H ASN X 5 65.190 10.966 7.999 1.00 0.00 H new ATOM 0 HA ASN X 5 64.901 12.512 5.569 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.959 14.295 6.811 1.00 0.00 H new ATOM 0 HB3 ASN X 5 64.618 13.620 7.714 1.00 0.00 H new ATOM 0 HD21 ASN X 5 67.659 14.262 9.911 1.00 0.00 H new ATOM 0 HD22 ASN X 5 66.857 15.223 8.663 1.00 0.00 H new ATOM 71 N SER X 6 67.767 11.230 6.551 1.00 0.00 N ATOM 72 CA SER X 6 69.104 10.899 6.141 1.00 0.00 C ATOM 73 C SER X 6 69.471 9.495 6.599 1.00 0.00 C ATOM 74 O SER X 6 68.750 8.899 7.420 1.00 0.00 O ATOM 75 CB SER X 6 70.079 11.945 6.676 1.00 0.00 C ATOM 76 OG SER X 6 69.888 12.162 8.063 1.00 0.00 O ATOM 0 H SER X 6 67.526 10.901 7.486 1.00 0.00 H new ATOM 0 HA SER X 6 69.163 10.907 5.053 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.103 11.618 6.494 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.943 12.882 6.137 1.00 0.00 H new ATOM 0 HG SER X 6 70.526 12.835 8.380 1.00 0.00 H new ATOM 82 N ILE X 7 70.586 8.962 6.076 1.00 0.00 N ATOM 83 CA ILE X 7 71.063 7.605 6.409 1.00 0.00 C ATOM 84 C ILE X 7 71.380 7.497 7.915 1.00 0.00 C ATOM 85 O ILE X 7 71.368 6.424 8.501 1.00 0.00 O ATOM 86 CB ILE X 7 72.348 7.231 5.578 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.723 5.750 5.783 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.532 8.141 5.947 1.00 0.00 C ATOM 89 CD1 ILE X 7 73.918 5.291 4.968 1.00 0.00 C ATOM 0 H ILE X 7 71.183 9.455 5.412 1.00 0.00 H new ATOM 0 HA ILE X 7 70.266 6.907 6.154 1.00 0.00 H new ATOM 0 HB ILE X 7 72.117 7.385 4.524 1.00 0.00 H new ATOM 0 HG12 ILE X 7 72.933 5.583 6.840 1.00 0.00 H new ATOM 0 HG13 ILE X 7 71.863 5.131 5.527 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.405 7.859 5.358 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.272 9.179 5.738 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.759 8.031 7.007 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.114 4.238 5.171 1.00 0.00 H new ATOM 0 HD12 ILE X 7 73.707 5.423 3.907 1.00 0.00 H new ATOM 0 HD13 ILE X 7 74.793 5.882 5.240 1.00 0.00 H new ATOM 101 N SER X 8 71.558 8.633 8.532 1.00 0.00 N ATOM 102 CA SER X 8 71.972 8.722 9.890 1.00 0.00 C ATOM 103 C SER X 8 70.796 8.554 10.852 1.00 0.00 C ATOM 104 O SER X 8 70.976 8.496 12.066 1.00 0.00 O ATOM 105 CB SER X 8 72.672 10.050 10.073 1.00 0.00 C ATOM 106 OG SER X 8 73.732 10.166 9.120 1.00 0.00 O ATOM 0 H SER X 8 71.414 9.539 8.087 1.00 0.00 H new ATOM 0 HA SER X 8 72.660 7.910 10.125 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.963 10.868 9.945 1.00 0.00 H new ATOM 0 HB3 SER X 8 73.069 10.128 11.085 1.00 0.00 H new ATOM 0 HG SER X 8 74.185 11.027 9.237 1.00 0.00 H new ATOM 112 N ASP X 9 69.593 8.460 10.306 1.00 0.00 N ATOM 113 CA ASP X 9 68.408 8.221 11.128 1.00 0.00 C ATOM 114 C ASP X 9 68.002 6.777 10.914 1.00 0.00 C ATOM 115 O ASP X 9 67.007 6.284 11.453 1.00 0.00 O ATOM 116 CB ASP X 9 67.244 9.086 10.679 1.00 0.00 C ATOM 117 CG ASP X 9 66.253 9.392 11.785 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.611 10.156 12.717 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.095 8.930 11.725 1.00 0.00 O ATOM 0 H ASP X 9 69.408 8.544 9.306 1.00 0.00 H new ATOM 0 HA ASP X 9 68.641 8.450 12.168 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.632 10.023 10.280 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.723 8.584 9.864 1.00 0.00 H new ATOM 124 N TYR X 10 68.807 6.098 10.147 1.00 0.00 N ATOM 125 CA TYR X 10 68.539 4.760 9.725 1.00 0.00 C ATOM 126 C TYR X 10 69.402 3.829 10.477 1.00 0.00 C ATOM 127 O TYR X 10 70.631 3.926 10.419 1.00 0.00 O ATOM 128 CB TYR X 10 68.813 4.560 8.221 1.00 0.00 C ATOM 129 CG TYR X 10 67.629 4.704 7.283 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.677 3.706 7.212 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.486 5.797 6.444 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.611 3.783 6.344 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.412 5.884 5.562 1.00 0.00 C ATOM 134 CZ TYR X 10 65.480 4.866 5.526 1.00 0.00 C ATOM 135 OH TYR X 10 64.411 4.934 4.674 1.00 0.00 O ATOM 0 H TYR X 10 69.687 6.472 9.792 1.00 0.00 H new ATOM 0 HA TYR X 10 67.484 4.564 9.914 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.576 5.277 7.917 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.237 3.565 8.083 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.771 2.843 7.854 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.217 6.592 6.474 1.00 0.00 H new ATOM 0 HE1 TYR X 10 64.881 2.988 6.311 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.309 6.740 4.912 1.00 0.00 H new ATOM 0 HH TYR X 10 64.338 5.842 4.312 1.00 0.00 H new ATOM 145 N THR X 11 68.795 2.963 11.222 1.00 0.00 N ATOM 146 CA THR X 11 69.534 1.940 11.860 1.00 0.00 C ATOM 147 C THR X 11 69.768 0.917 10.769 1.00 0.00 C ATOM 148 O THR X 11 69.078 0.992 9.724 1.00 0.00 O ATOM 149 CB THR X 11 68.743 1.311 13.041 1.00 0.00 C ATOM 150 OG1 THR X 11 67.698 0.462 12.561 1.00 0.00 O ATOM 151 CG2 THR X 11 68.104 2.396 13.900 1.00 0.00 C ATOM 0 H THR X 11 67.791 2.949 11.399 1.00 0.00 H new ATOM 0 HA THR X 11 70.460 2.317 12.295 1.00 0.00 H new ATOM 0 HB THR X 11 69.454 0.732 13.631 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.165 0.139 13.318 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.555 1.934 14.721 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.881 3.046 14.303 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.418 2.985 13.291 1.00 0.00 H new ATOM 159 N GLU X 12 70.693 -0.003 10.942 1.00 0.00 N ATOM 160 CA GLU X 12 70.929 -0.977 9.892 1.00 0.00 C ATOM 161 C GLU X 12 69.643 -1.735 9.547 1.00 0.00 C ATOM 162 O GLU X 12 69.303 -1.863 8.392 1.00 0.00 O ATOM 163 CB GLU X 12 72.101 -1.921 10.205 1.00 0.00 C ATOM 164 CG GLU X 12 71.989 -2.692 11.504 1.00 0.00 C ATOM 165 CD GLU X 12 73.119 -3.662 11.673 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.018 -4.800 11.170 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.150 -3.302 12.297 1.00 0.00 O ATOM 0 H GLU X 12 71.279 -0.099 11.771 1.00 0.00 H new ATOM 0 HA GLU X 12 71.232 -0.423 9.004 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.198 -2.634 9.387 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.020 -1.335 10.229 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.980 -1.994 12.341 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.041 -3.230 11.527 1.00 0.00 H new ATOM 174 N ALA X 13 68.885 -2.113 10.562 1.00 0.00 N ATOM 175 CA ALA X 13 67.628 -2.824 10.374 1.00 0.00 C ATOM 176 C ALA X 13 66.538 -1.923 9.759 1.00 0.00 C ATOM 177 O ALA X 13 65.740 -2.388 8.939 1.00 0.00 O ATOM 178 CB ALA X 13 67.167 -3.444 11.670 1.00 0.00 C ATOM 0 H ALA X 13 69.121 -1.937 11.539 1.00 0.00 H new ATOM 0 HA ALA X 13 67.809 -3.627 9.659 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.226 -3.970 11.507 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.920 -4.148 12.025 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.021 -2.662 12.416 1.00 0.00 H new ATOM 184 N GLU X 14 66.478 -0.649 10.160 1.00 0.00 N ATOM 185 CA GLU X 14 65.523 0.299 9.540 1.00 0.00 C ATOM 186 C GLU X 14 65.829 0.420 8.066 1.00 0.00 C ATOM 187 O GLU X 14 64.935 0.544 7.226 1.00 0.00 O ATOM 188 CB GLU X 14 65.628 1.705 10.158 1.00 0.00 C ATOM 189 CG GLU X 14 65.162 1.831 11.592 1.00 0.00 C ATOM 190 CD GLU X 14 63.714 1.515 11.754 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.878 2.307 11.283 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.383 0.487 12.375 1.00 0.00 O ATOM 0 H GLU X 14 67.062 -0.249 10.894 1.00 0.00 H new ATOM 0 HA GLU X 14 64.519 -0.089 9.711 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.668 2.028 10.104 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.048 2.395 9.545 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.749 1.162 12.221 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.350 2.845 11.944 1.00 0.00 H new ATOM 199 N PHE X 15 67.096 0.375 7.765 1.00 0.00 N ATOM 200 CA PHE X 15 67.561 0.525 6.435 1.00 0.00 C ATOM 201 C PHE X 15 67.302 -0.741 5.634 1.00 0.00 C ATOM 202 O PHE X 15 66.826 -0.656 4.505 1.00 0.00 O ATOM 203 CB PHE X 15 69.035 0.897 6.449 1.00 0.00 C ATOM 204 CG PHE X 15 69.557 1.390 5.147 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.274 2.675 4.722 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.336 0.585 4.356 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.763 3.137 3.530 1.00 0.00 C ATOM 208 CE2 PHE X 15 70.831 1.046 3.163 1.00 0.00 C ATOM 209 CZ PHE X 15 70.541 2.322 2.755 1.00 0.00 C ATOM 0 H PHE X 15 67.836 0.231 8.452 1.00 0.00 H new ATOM 0 HA PHE X 15 67.014 1.331 5.946 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.196 1.665 7.205 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.614 0.025 6.752 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.662 3.319 5.336 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.562 -0.422 4.676 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.535 4.141 3.203 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.447 0.407 2.548 1.00 0.00 H new ATOM 0 HZ PHE X 15 70.929 2.686 1.815 1.00 0.00 H new ATOM 219 N VAL X 16 67.564 -1.920 6.240 1.00 0.00 N ATOM 220 CA VAL X 16 67.336 -3.194 5.553 1.00 0.00 C ATOM 221 C VAL X 16 65.860 -3.316 5.129 1.00 0.00 C ATOM 222 O VAL X 16 65.569 -3.874 4.106 1.00 0.00 O ATOM 223 CB VAL X 16 67.731 -4.478 6.383 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.121 -4.445 6.948 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.718 -4.858 7.415 1.00 0.00 C ATOM 0 H VAL X 16 67.928 -2.008 7.189 1.00 0.00 H new ATOM 0 HA VAL X 16 68.000 -3.167 4.689 1.00 0.00 H new ATOM 0 HB VAL X 16 67.733 -5.276 5.640 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.310 -5.364 7.503 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.842 -4.357 6.135 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.222 -3.590 7.617 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.056 -5.748 7.946 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.595 -4.038 8.123 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.764 -5.065 6.930 1.00 0.00 H new ATOM 235 N GLN X 17 64.951 -2.754 5.943 1.00 0.00 N ATOM 236 CA GLN X 17 63.527 -2.744 5.702 1.00 0.00 C ATOM 237 C GLN X 17 63.226 -2.065 4.386 1.00 0.00 C ATOM 238 O GLN X 17 62.496 -2.597 3.546 1.00 0.00 O ATOM 239 CB GLN X 17 62.889 -2.009 6.893 1.00 0.00 C ATOM 240 CG GLN X 17 61.401 -1.738 6.840 1.00 0.00 C ATOM 241 CD GLN X 17 61.013 -0.417 6.142 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.955 0.633 6.781 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.691 -0.462 4.869 1.00 0.00 N ATOM 0 H GLN X 17 65.211 -2.283 6.810 1.00 0.00 H new ATOM 0 HA GLN X 17 63.120 -3.752 5.625 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.092 -2.590 7.793 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.400 -1.053 7.009 1.00 0.00 H new ATOM 0 HG2 GLN X 17 60.913 -2.564 6.323 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.011 -1.724 7.858 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.747 -1.344 4.360 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.385 0.385 4.390 1.00 0.00 H new ATOM 252 N LEU X 18 63.804 -0.902 4.216 1.00 0.00 N ATOM 253 CA LEU X 18 63.639 -0.107 3.015 1.00 0.00 C ATOM 254 C LEU X 18 64.172 -0.878 1.836 1.00 0.00 C ATOM 255 O LEU X 18 63.545 -0.961 0.787 1.00 0.00 O ATOM 256 CB LEU X 18 64.354 1.255 3.231 1.00 0.00 C ATOM 257 CG LEU X 18 64.379 2.310 2.084 1.00 0.00 C ATOM 258 CD1 LEU X 18 65.487 2.032 1.093 1.00 0.00 C ATOM 259 CD2 LEU X 18 63.050 2.359 1.356 1.00 0.00 C ATOM 0 H LEU X 18 64.411 -0.472 4.914 1.00 0.00 H new ATOM 0 HA LEU X 18 62.590 0.100 2.806 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.894 1.729 4.098 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.389 1.040 3.497 1.00 0.00 H new ATOM 0 HG LEU X 18 64.566 3.277 2.551 1.00 0.00 H new ATOM 0 HD11 LEU X 18 65.472 2.789 0.309 1.00 0.00 H new ATOM 0 HD12 LEU X 18 66.449 2.060 1.605 1.00 0.00 H new ATOM 0 HD13 LEU X 18 65.340 1.047 0.650 1.00 0.00 H new ATOM 0 HD21 LEU X 18 63.098 3.104 0.562 1.00 0.00 H new ATOM 0 HD22 LEU X 18 62.835 1.381 0.925 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.260 2.627 2.058 1.00 0.00 H new ATOM 271 N LEU X 19 65.283 -1.472 2.059 1.00 0.00 N ATOM 272 CA LEU X 19 65.968 -2.276 1.082 1.00 0.00 C ATOM 273 C LEU X 19 65.142 -3.470 0.634 1.00 0.00 C ATOM 274 O LEU X 19 65.073 -3.774 -0.560 1.00 0.00 O ATOM 275 CB LEU X 19 67.258 -2.731 1.676 1.00 0.00 C ATOM 276 CG LEU X 19 68.226 -1.641 2.053 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.537 -2.210 2.422 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.369 -0.637 0.966 1.00 0.00 C ATOM 0 H LEU X 19 65.770 -1.419 2.954 1.00 0.00 H new ATOM 0 HA LEU X 19 66.144 -1.671 0.192 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.039 -3.320 2.566 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.748 -3.397 0.966 1.00 0.00 H new ATOM 0 HG LEU X 19 67.820 -1.125 2.923 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.221 -1.405 2.691 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.416 -2.882 3.272 1.00 0.00 H new ATOM 0 HD13 LEU X 19 69.944 -2.764 1.576 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.075 0.134 1.274 1.00 0.00 H new ATOM 0 HD22 LEU X 19 68.737 -1.127 0.064 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.400 -0.181 0.762 1.00 0.00 H new ATOM 290 N LYS X 20 64.503 -4.124 1.585 1.00 0.00 N ATOM 291 CA LYS X 20 63.657 -5.270 1.304 1.00 0.00 C ATOM 292 C LYS X 20 62.474 -4.845 0.448 1.00 0.00 C ATOM 293 O LYS X 20 62.029 -5.580 -0.449 1.00 0.00 O ATOM 294 CB LYS X 20 63.178 -5.947 2.605 1.00 0.00 C ATOM 295 CG LYS X 20 64.319 -6.497 3.437 1.00 0.00 C ATOM 296 CD LYS X 20 63.868 -7.481 4.514 1.00 0.00 C ATOM 297 CE LYS X 20 65.082 -8.024 5.275 1.00 0.00 C ATOM 298 NZ LYS X 20 64.751 -9.086 6.265 1.00 0.00 N ATOM 0 H LYS X 20 64.555 -3.877 2.573 1.00 0.00 H new ATOM 0 HA LYS X 20 64.245 -6.003 0.752 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.617 -5.226 3.199 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.493 -6.757 2.356 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.032 -6.993 2.779 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.845 -5.668 3.911 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.187 -6.987 5.206 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.317 -8.304 4.058 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.800 -8.422 4.557 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.572 -7.199 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.629 -9.509 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.215 -8.671 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.177 -9.822 5.806 1.00 0.00 H new ATOM 312 N GLU X 21 61.988 -3.652 0.705 1.00 0.00 N ATOM 313 CA GLU X 21 60.906 -3.092 -0.060 1.00 0.00 C ATOM 314 C GLU X 21 61.331 -2.793 -1.488 1.00 0.00 C ATOM 315 O GLU X 21 60.545 -2.978 -2.422 1.00 0.00 O ATOM 316 CB GLU X 21 60.307 -1.866 0.625 1.00 0.00 C ATOM 317 CG GLU X 21 59.597 -2.192 1.929 1.00 0.00 C ATOM 318 CD GLU X 21 58.517 -3.242 1.751 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.421 -2.913 1.243 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.737 -4.416 2.101 1.00 0.00 O ATOM 0 H GLU X 21 62.333 -3.046 1.450 1.00 0.00 H new ATOM 0 HA GLU X 21 60.118 -3.844 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.100 -1.145 0.822 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.602 -1.387 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.326 -2.544 2.659 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.153 -1.283 2.335 1.00 0.00 H new ATOM 327 N ILE X 22 62.585 -2.382 -1.663 1.00 0.00 N ATOM 328 CA ILE X 22 63.102 -2.102 -2.999 1.00 0.00 C ATOM 329 C ILE X 22 63.162 -3.392 -3.797 1.00 0.00 C ATOM 330 O ILE X 22 62.748 -3.432 -4.926 1.00 0.00 O ATOM 331 CB ILE X 22 64.524 -1.482 -3.005 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.623 -0.294 -2.053 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.865 -1.034 -4.423 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.987 0.376 -2.049 1.00 0.00 C ATOM 0 H ILE X 22 63.254 -2.237 -0.907 1.00 0.00 H new ATOM 0 HA ILE X 22 62.419 -1.374 -3.437 1.00 0.00 H new ATOM 0 HB ILE X 22 65.231 -2.239 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.867 0.443 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.390 -0.630 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.863 -0.597 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.836 -1.893 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.139 -0.291 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.980 1.211 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.746 -0.345 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.215 0.744 -3.050 1.00 0.00 H new ATOM 346 N GLU X 23 63.613 -4.470 -3.156 1.00 0.00 N ATOM 347 CA GLU X 23 63.753 -5.782 -3.818 1.00 0.00 C ATOM 348 C GLU X 23 62.432 -6.231 -4.396 1.00 0.00 C ATOM 349 O GLU X 23 62.360 -6.831 -5.479 1.00 0.00 O ATOM 350 CB GLU X 23 64.119 -6.832 -2.801 1.00 0.00 C ATOM 351 CG GLU X 23 65.471 -6.705 -2.164 1.00 0.00 C ATOM 352 CD GLU X 23 65.737 -7.898 -1.290 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.079 -8.042 -0.244 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.580 -8.735 -1.654 1.00 0.00 O ATOM 0 H GLU X 23 63.891 -4.468 -2.175 1.00 0.00 H new ATOM 0 HA GLU X 23 64.512 -5.672 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.367 -6.819 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.059 -7.808 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.239 -6.628 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.520 -5.791 -1.572 1.00 0.00 H new ATOM 361 N LYS X 24 61.408 -5.929 -3.667 1.00 0.00 N ATOM 362 CA LYS X 24 60.076 -6.312 -3.981 1.00 0.00 C ATOM 363 C LYS X 24 59.582 -5.655 -5.265 1.00 0.00 C ATOM 364 O LYS X 24 59.133 -6.339 -6.183 1.00 0.00 O ATOM 365 CB LYS X 24 59.193 -5.920 -2.827 1.00 0.00 C ATOM 366 CG LYS X 24 57.713 -6.229 -3.027 1.00 0.00 C ATOM 367 CD LYS X 24 56.862 -5.574 -1.957 1.00 0.00 C ATOM 368 CE LYS X 24 57.218 -6.077 -0.558 1.00 0.00 C ATOM 369 NZ LYS X 24 56.456 -5.395 0.512 1.00 0.00 N ATOM 0 H LYS X 24 61.482 -5.389 -2.805 1.00 0.00 H new ATOM 0 HA LYS X 24 60.046 -7.389 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.540 -6.433 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.306 -4.851 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.396 -5.880 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.559 -7.308 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.995 -4.493 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS X 24 55.809 -5.774 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS X 24 57.029 -7.149 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.285 -5.932 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.739 -5.777 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.654 -4.375 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.438 -5.554 0.369 1.00 0.00 H new ATOM 383 N GLU X 25 59.692 -4.357 -5.354 1.00 0.00 N ATOM 384 CA GLU X 25 59.131 -3.692 -6.494 1.00 0.00 C ATOM 385 C GLU X 25 60.150 -3.396 -7.586 1.00 0.00 C ATOM 386 O GLU X 25 59.771 -3.072 -8.681 1.00 0.00 O ATOM 387 CB GLU X 25 58.265 -2.480 -6.084 1.00 0.00 C ATOM 388 CG GLU X 25 58.953 -1.414 -5.322 1.00 0.00 C ATOM 389 CD GLU X 25 59.634 -0.546 -6.288 1.00 0.00 C ATOM 390 OE1 GLU X 25 58.925 -0.082 -7.226 1.00 0.00 O ATOM 391 OE2 GLU X 25 60.834 -0.349 -6.181 1.00 0.00 O ATOM 0 H GLU X 25 60.152 -3.755 -4.671 1.00 0.00 H new ATOM 0 HA GLU X 25 58.446 -4.398 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU X 25 57.844 -2.038 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU X 25 57.428 -2.843 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.237 -0.842 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU X 25 59.670 -1.845 -4.623 1.00 0.00 H new ATOM 398 N ASN X 26 61.432 -3.554 -7.294 1.00 0.00 N ATOM 399 CA ASN X 26 62.504 -3.354 -8.300 1.00 0.00 C ATOM 400 C ASN X 26 62.342 -4.317 -9.466 1.00 0.00 C ATOM 401 O ASN X 26 62.540 -3.953 -10.619 1.00 0.00 O ATOM 402 CB ASN X 26 63.898 -3.531 -7.664 1.00 0.00 C ATOM 403 CG ASN X 26 65.062 -3.374 -8.638 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.996 -2.640 -9.615 1.00 0.00 O ATOM 405 ND2 ASN X 26 66.141 -4.076 -8.375 1.00 0.00 N ATOM 0 H ASN X 26 61.772 -3.821 -6.370 1.00 0.00 H new ATOM 0 HA ASN X 26 62.418 -2.334 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.012 -2.803 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.953 -4.520 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.951 -4.017 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.169 -4.680 -7.554 1.00 0.00 H new ATOM 412 N VAL X 27 61.937 -5.537 -9.166 1.00 0.00 N ATOM 413 CA VAL X 27 61.743 -6.542 -10.207 1.00 0.00 C ATOM 414 C VAL X 27 60.459 -6.267 -10.995 1.00 0.00 C ATOM 415 O VAL X 27 60.304 -6.701 -12.142 1.00 0.00 O ATOM 416 CB VAL X 27 61.738 -7.995 -9.643 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.078 -8.324 -9.003 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.603 -8.207 -8.644 1.00 0.00 C ATOM 0 H VAL X 27 61.736 -5.859 -8.219 1.00 0.00 H new ATOM 0 HA VAL X 27 62.596 -6.465 -10.881 1.00 0.00 H new ATOM 0 HB VAL X 27 61.573 -8.673 -10.481 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.056 -9.342 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.868 -8.237 -9.749 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.272 -7.629 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.632 -9.231 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.719 -7.515 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.647 -8.026 -9.136 1.00 0.00 H new ATOM 428 N ALA X 28 59.573 -5.513 -10.384 1.00 0.00 N ATOM 429 CA ALA X 28 58.306 -5.154 -10.980 1.00 0.00 C ATOM 430 C ALA X 28 58.470 -3.870 -11.792 1.00 0.00 C ATOM 431 O ALA X 28 57.949 -3.744 -12.911 1.00 0.00 O ATOM 432 CB ALA X 28 57.263 -4.962 -9.878 1.00 0.00 C ATOM 0 H ALA X 28 59.713 -5.128 -9.450 1.00 0.00 H new ATOM 0 HA ALA X 28 57.971 -5.949 -11.646 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.307 -4.691 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.151 -5.890 -9.317 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.587 -4.168 -9.205 1.00 0.00 H new ATOM 438 N ALA X 29 59.251 -2.959 -11.227 1.00 0.00 N ATOM 439 CA ALA X 29 59.522 -1.636 -11.741 1.00 0.00 C ATOM 440 C ALA X 29 58.244 -0.836 -11.790 1.00 0.00 C ATOM 441 O ALA X 29 57.633 -0.683 -12.843 1.00 0.00 O ATOM 442 CB ALA X 29 60.254 -1.651 -13.085 1.00 0.00 C ATOM 0 H ALA X 29 59.737 -3.140 -10.348 1.00 0.00 H new ATOM 0 HA ALA X 29 60.212 -1.146 -11.053 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.427 -0.627 -13.416 1.00 0.00 H new ATOM 0 HB2 ALA X 29 61.210 -2.163 -12.973 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.647 -2.174 -13.824 1.00 0.00 H new ATOM 448 N THR X 30 57.806 -0.380 -10.627 1.00 0.00 N ATOM 449 CA THR X 30 56.556 0.352 -10.530 1.00 0.00 C ATOM 450 C THR X 30 56.772 1.765 -10.979 1.00 0.00 C ATOM 451 O THR X 30 55.828 2.480 -11.313 1.00 0.00 O ATOM 452 CB THR X 30 56.045 0.394 -9.077 1.00 0.00 C ATOM 453 OG1 THR X 30 56.958 1.169 -8.261 1.00 0.00 O ATOM 454 CG2 THR X 30 55.935 -1.010 -8.523 1.00 0.00 C ATOM 0 H THR X 30 58.296 -0.504 -9.741 1.00 0.00 H new ATOM 0 HA THR X 30 55.823 -0.155 -11.157 1.00 0.00 H new ATOM 0 HB THR X 30 55.060 0.860 -9.062 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.571 0.565 -7.792 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.573 -0.968 -7.496 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.238 -1.587 -9.130 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.915 -1.487 -8.543 1.00 0.00 H new ATOM 462 N ASP X 31 58.042 2.169 -10.928 1.00 0.00 N ATOM 463 CA ASP X 31 58.517 3.508 -11.251 1.00 0.00 C ATOM 464 C ASP X 31 58.153 4.517 -10.188 1.00 0.00 C ATOM 465 O ASP X 31 58.998 5.248 -9.721 1.00 0.00 O ATOM 466 CB ASP X 31 58.080 3.975 -12.636 1.00 0.00 C ATOM 467 CG ASP X 31 58.391 5.432 -12.877 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.514 5.753 -13.303 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.517 6.288 -12.641 1.00 0.00 O ATOM 0 H ASP X 31 58.797 1.543 -10.648 1.00 0.00 H new ATOM 0 HA ASP X 31 59.604 3.438 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.577 3.370 -13.394 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.008 3.811 -12.750 1.00 0.00 H new ATOM 474 N ASP X 32 56.919 4.517 -9.787 1.00 0.00 N ATOM 475 CA ASP X 32 56.415 5.473 -8.818 1.00 0.00 C ATOM 476 C ASP X 32 57.073 5.352 -7.480 1.00 0.00 C ATOM 477 O ASP X 32 57.581 6.338 -6.975 1.00 0.00 O ATOM 478 CB ASP X 32 54.903 5.409 -8.702 1.00 0.00 C ATOM 479 CG ASP X 32 54.325 6.333 -7.649 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.114 7.536 -7.937 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.041 5.863 -6.526 1.00 0.00 O ATOM 0 H ASP X 32 56.219 3.853 -10.118 1.00 0.00 H new ATOM 0 HA ASP X 32 56.679 6.459 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.464 5.657 -9.668 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.610 4.385 -8.472 1.00 0.00 H new ATOM 486 N VAL X 33 57.099 4.176 -6.913 1.00 0.00 N ATOM 487 CA VAL X 33 57.745 4.032 -5.620 1.00 0.00 C ATOM 488 C VAL X 33 59.171 3.602 -5.834 1.00 0.00 C ATOM 489 O VAL X 33 60.044 3.949 -5.080 1.00 0.00 O ATOM 490 CB VAL X 33 56.977 3.096 -4.649 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.893 1.671 -5.136 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.517 3.169 -3.230 1.00 0.00 C ATOM 0 H VAL X 33 56.697 3.324 -7.304 1.00 0.00 H new ATOM 0 HA VAL X 33 57.735 5.001 -5.121 1.00 0.00 H new ATOM 0 HB VAL X 33 55.955 3.474 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.344 1.070 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.376 1.644 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.898 1.267 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL X 33 56.947 2.497 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.566 2.873 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.425 4.189 -2.858 1.00 0.00 H new ATOM 502 N LEU X 34 59.377 2.970 -6.957 1.00 0.00 N ATOM 503 CA LEU X 34 60.677 2.493 -7.414 1.00 0.00 C ATOM 504 C LEU X 34 61.630 3.641 -7.505 1.00 0.00 C ATOM 505 O LEU X 34 62.726 3.571 -6.982 1.00 0.00 O ATOM 506 CB LEU X 34 60.443 1.794 -8.783 1.00 0.00 C ATOM 507 CG LEU X 34 61.605 1.251 -9.641 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.335 2.350 -10.372 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.557 0.401 -8.818 1.00 0.00 C ATOM 0 H LEU X 34 58.623 2.760 -7.611 1.00 0.00 H new ATOM 0 HA LEU X 34 61.124 1.780 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.774 0.954 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU X 34 59.898 2.502 -9.407 1.00 0.00 H new ATOM 0 HG LEU X 34 61.162 0.606 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.144 1.919 -10.962 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.642 2.871 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.748 3.055 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.362 0.036 -9.455 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.977 1.002 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.016 -0.446 -8.396 1.00 0.00 H new ATOM 521 N ASP X 35 61.190 4.728 -8.099 1.00 0.00 N ATOM 522 CA ASP X 35 62.055 5.907 -8.214 1.00 0.00 C ATOM 523 C ASP X 35 62.385 6.423 -6.874 1.00 0.00 C ATOM 524 O ASP X 35 63.543 6.721 -6.593 1.00 0.00 O ATOM 525 CB ASP X 35 61.419 7.009 -9.013 1.00 0.00 C ATOM 526 CG ASP X 35 62.362 8.148 -9.295 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.353 7.957 -10.035 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.129 9.251 -8.788 1.00 0.00 O ATOM 0 H ASP X 35 60.260 4.832 -8.506 1.00 0.00 H new ATOM 0 HA ASP X 35 62.957 5.587 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.055 6.603 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.551 7.388 -8.473 1.00 0.00 H new ATOM 533 N VAL X 36 61.389 6.452 -6.036 1.00 0.00 N ATOM 534 CA VAL X 36 61.530 6.982 -4.705 1.00 0.00 C ATOM 535 C VAL X 36 62.523 6.208 -3.934 1.00 0.00 C ATOM 536 O VAL X 36 63.452 6.765 -3.400 1.00 0.00 O ATOM 537 CB VAL X 36 60.240 6.829 -3.922 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.354 7.479 -2.617 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.136 7.388 -4.641 1.00 0.00 C ATOM 0 H VAL X 36 60.454 6.109 -6.254 1.00 0.00 H new ATOM 0 HA VAL X 36 61.820 8.026 -4.825 1.00 0.00 H new ATOM 0 HB VAL X 36 60.061 5.763 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.420 7.360 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.167 7.022 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.560 8.540 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.223 7.266 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.315 8.449 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.028 6.876 -5.597 1.00 0.00 H new ATOM 549 N LEU X 37 62.364 4.920 -3.961 1.00 0.00 N ATOM 550 CA LEU X 37 63.151 4.057 -3.163 1.00 0.00 C ATOM 551 C LEU X 37 64.561 4.103 -3.594 1.00 0.00 C ATOM 552 O LEU X 37 65.470 4.211 -2.776 1.00 0.00 O ATOM 553 CB LEU X 37 62.670 2.649 -3.272 1.00 0.00 C ATOM 554 CG LEU X 37 61.201 2.377 -2.934 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.894 0.899 -3.047 1.00 0.00 C ATOM 556 CD2 LEU X 37 60.855 2.883 -1.541 1.00 0.00 C ATOM 0 H LEU X 37 61.677 4.443 -4.545 1.00 0.00 H new ATOM 0 HA LEU X 37 63.065 4.393 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.849 2.310 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.286 2.031 -2.618 1.00 0.00 H new ATOM 0 HG LEU X 37 60.587 2.918 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.846 0.725 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.090 0.563 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.525 0.342 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU X 37 59.806 2.676 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.481 2.378 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.030 3.958 -1.490 1.00 0.00 H new ATOM 568 N LEU X 38 64.735 4.075 -4.881 1.00 0.00 N ATOM 569 CA LEU X 38 66.018 4.080 -5.464 1.00 0.00 C ATOM 570 C LEU X 38 66.771 5.351 -5.148 1.00 0.00 C ATOM 571 O LEU X 38 67.887 5.290 -4.627 1.00 0.00 O ATOM 572 CB LEU X 38 65.892 3.867 -6.966 1.00 0.00 C ATOM 573 CG LEU X 38 65.420 2.492 -7.418 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.528 2.365 -8.906 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.132 1.353 -6.694 1.00 0.00 C ATOM 0 H LEU X 38 63.970 4.048 -5.555 1.00 0.00 H new ATOM 0 HA LEU X 38 66.598 3.262 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.201 4.612 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.863 4.061 -7.421 1.00 0.00 H new ATOM 0 HG LEU X 38 64.369 2.403 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.187 1.376 -9.213 1.00 0.00 H new ATOM 0 HD12 LEU X 38 64.910 3.126 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.566 2.500 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.754 0.398 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.204 1.415 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.948 1.432 -5.623 1.00 0.00 H new ATOM 587 N GLU X 39 66.147 6.492 -5.376 1.00 0.00 N ATOM 588 CA GLU X 39 66.814 7.745 -5.116 1.00 0.00 C ATOM 589 C GLU X 39 66.967 8.019 -3.631 1.00 0.00 C ATOM 590 O GLU X 39 67.984 8.534 -3.206 1.00 0.00 O ATOM 591 CB GLU X 39 66.200 8.935 -5.843 1.00 0.00 C ATOM 592 CG GLU X 39 64.749 9.231 -5.529 1.00 0.00 C ATOM 593 CD GLU X 39 64.338 10.598 -5.974 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.941 11.149 -6.926 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.425 11.184 -5.352 1.00 0.00 O ATOM 0 H GLU X 39 65.196 6.573 -5.735 1.00 0.00 H new ATOM 0 HA GLU X 39 67.813 7.623 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.789 9.821 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.291 8.766 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.116 8.488 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.586 9.137 -4.455 1.00 0.00 H new ATOM 602 N HIS X 40 65.960 7.650 -2.848 1.00 0.00 N ATOM 603 CA HIS X 40 65.968 7.862 -1.406 1.00 0.00 C ATOM 604 C HIS X 40 67.147 7.132 -0.806 1.00 0.00 C ATOM 605 O HIS X 40 67.888 7.693 -0.007 1.00 0.00 O ATOM 606 CB HIS X 40 64.632 7.385 -0.781 1.00 0.00 C ATOM 607 CG HIS X 40 64.421 7.760 0.660 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.481 8.678 1.077 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.043 7.328 1.789 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.559 8.779 2.399 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.496 7.981 2.886 1.00 0.00 N ATOM 0 H HIS X 40 65.115 7.196 -3.195 1.00 0.00 H new ATOM 0 HA HIS X 40 66.067 8.926 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.810 7.793 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.577 6.300 -0.868 1.00 0.00 H new ATOM 0 HD1 HIS X 40 62.837 9.191 0.475 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.835 6.595 1.827 1.00 0.00 H new ATOM 0 HE1 HIS X 40 62.938 9.428 2.999 1.00 0.00 H new ATOM 619 N PHE X 41 67.324 5.914 -1.250 1.00 0.00 N ATOM 620 CA PHE X 41 68.416 5.066 -0.854 1.00 0.00 C ATOM 621 C PHE X 41 69.775 5.666 -1.255 1.00 0.00 C ATOM 622 O PHE X 41 70.651 5.872 -0.411 1.00 0.00 O ATOM 623 CB PHE X 41 68.202 3.689 -1.497 1.00 0.00 C ATOM 624 CG PHE X 41 69.408 2.812 -1.555 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.842 2.135 -0.446 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.107 2.674 -2.732 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.961 1.325 -0.506 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.215 1.875 -2.791 1.00 0.00 C ATOM 629 CZ PHE X 41 71.647 1.199 -1.682 1.00 0.00 C ATOM 0 H PHE X 41 66.692 5.473 -1.918 1.00 0.00 H new ATOM 0 HA PHE X 41 68.434 4.972 0.232 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.421 3.167 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE X 41 67.831 3.835 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.304 2.235 0.485 1.00 0.00 H new ATOM 0 HD2 PHE X 41 69.778 3.201 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.292 0.793 0.374 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.754 1.776 -3.721 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.524 0.570 -1.735 1.00 0.00 H new ATOM 639 N VAL X 42 69.950 5.934 -2.520 1.00 0.00 N ATOM 640 CA VAL X 42 71.213 6.447 -3.014 1.00 0.00 C ATOM 641 C VAL X 42 71.537 7.851 -2.529 1.00 0.00 C ATOM 642 O VAL X 42 72.680 8.196 -2.364 1.00 0.00 O ATOM 643 CB VAL X 42 71.411 6.245 -4.537 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.383 6.911 -5.364 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.808 6.573 -5.010 1.00 0.00 C ATOM 0 H VAL X 42 69.235 5.807 -3.236 1.00 0.00 H new ATOM 0 HA VAL X 42 71.973 5.818 -2.550 1.00 0.00 H new ATOM 0 HB VAL X 42 71.275 5.174 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.588 6.725 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.399 6.516 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.403 7.984 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.876 6.409 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.032 7.616 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.525 5.931 -4.499 1.00 0.00 H new ATOM 655 N LYS X 43 70.542 8.651 -2.308 1.00 0.00 N ATOM 656 CA LYS X 43 70.787 10.018 -1.817 1.00 0.00 C ATOM 657 C LYS X 43 71.343 10.015 -0.389 1.00 0.00 C ATOM 658 O LYS X 43 72.080 10.916 -0.004 1.00 0.00 O ATOM 659 CB LYS X 43 69.532 10.914 -1.868 1.00 0.00 C ATOM 660 CG LYS X 43 68.622 10.838 -0.630 1.00 0.00 C ATOM 661 CD LYS X 43 67.473 11.818 -0.738 1.00 0.00 C ATOM 662 CE LYS X 43 66.721 11.937 0.577 1.00 0.00 C ATOM 663 NZ LYS X 43 66.106 10.660 0.995 1.00 0.00 N ATOM 0 H LYS X 43 69.561 8.411 -2.449 1.00 0.00 H new ATOM 0 HA LYS X 43 71.529 10.438 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.849 11.948 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.947 10.642 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.232 9.826 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.204 11.052 0.267 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.854 12.796 -1.031 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.789 11.494 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.406 12.278 1.354 1.00 0.00 H new ATOM 0 HE3 LYS X 43 65.945 12.696 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.634 10.786 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.407 10.362 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.843 9.932 1.082 1.00 0.00 H new ATOM 677 N ILE X 44 70.968 9.020 0.391 1.00 0.00 N ATOM 678 CA ILE X 44 71.411 8.967 1.759 1.00 0.00 C ATOM 679 C ILE X 44 72.703 8.177 1.898 1.00 0.00 C ATOM 680 O ILE X 44 73.552 8.501 2.713 1.00 0.00 O ATOM 681 CB ILE X 44 70.300 8.462 2.721 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.787 7.088 2.299 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.155 9.474 2.764 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.694 6.542 3.172 1.00 0.00 C ATOM 0 H ILE X 44 70.366 8.250 0.101 1.00 0.00 H new ATOM 0 HA ILE X 44 71.631 9.990 2.063 1.00 0.00 H new ATOM 0 HB ILE X 44 70.726 8.362 3.719 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.421 7.149 1.274 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.621 6.386 2.299 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.378 9.116 3.440 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.531 10.434 3.119 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.739 9.595 1.764 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.388 5.563 2.802 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.059 6.446 4.195 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.841 7.220 3.154 1.00 0.00 H new ATOM 696 N THR X 45 72.874 7.176 1.070 1.00 0.00 N ATOM 697 CA THR X 45 74.090 6.394 1.095 1.00 0.00 C ATOM 698 C THR X 45 75.183 7.105 0.321 1.00 0.00 C ATOM 699 O THR X 45 76.373 7.073 0.700 1.00 0.00 O ATOM 700 CB THR X 45 73.856 5.006 0.483 1.00 0.00 C ATOM 701 OG1 THR X 45 73.267 5.143 -0.825 1.00 0.00 O ATOM 702 CG2 THR X 45 72.940 4.192 1.356 1.00 0.00 C ATOM 0 H THR X 45 72.191 6.883 0.372 1.00 0.00 H new ATOM 0 HA THR X 45 74.396 6.276 2.135 1.00 0.00 H new ATOM 0 HB THR X 45 74.817 4.497 0.404 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.298 5.260 -0.737 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.785 3.211 0.906 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.389 4.072 2.342 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.981 4.702 1.453 1.00 0.00 H new ATOM 710 N GLU X 46 74.757 7.747 -0.766 1.00 0.00 N ATOM 711 CA GLU X 46 75.596 8.461 -1.702 1.00 0.00 C ATOM 712 C GLU X 46 76.588 7.533 -2.356 1.00 0.00 C ATOM 713 O GLU X 46 77.647 7.950 -2.842 1.00 0.00 O ATOM 714 CB GLU X 46 76.218 9.679 -1.060 1.00 0.00 C ATOM 715 CG GLU X 46 75.200 10.741 -0.726 1.00 0.00 C ATOM 716 CD GLU X 46 75.811 11.940 -0.079 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.577 12.662 -0.738 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.573 12.168 1.117 1.00 0.00 O ATOM 0 H GLU X 46 73.770 7.779 -1.022 1.00 0.00 H new ATOM 0 HA GLU X 46 74.976 8.845 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.738 9.380 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.967 10.097 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.687 11.047 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.445 10.319 -0.062 1.00 0.00 H new ATOM 725 N HIS X 47 76.190 6.275 -2.425 1.00 0.00 N ATOM 726 CA HIS X 47 76.969 5.261 -3.054 1.00 0.00 C ATOM 727 C HIS X 47 76.832 5.478 -4.563 1.00 0.00 C ATOM 728 O HIS X 47 75.723 5.582 -5.056 1.00 0.00 O ATOM 729 CB HIS X 47 76.431 3.864 -2.664 1.00 0.00 C ATOM 730 CG HIS X 47 77.368 2.742 -2.999 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.408 2.085 -4.209 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.348 2.198 -2.255 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.408 1.199 -4.158 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.003 1.225 -2.993 1.00 0.00 N ATOM 0 H HIS X 47 75.307 5.941 -2.038 1.00 0.00 H new ATOM 0 HA HIS X 47 78.013 5.314 -2.744 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.228 3.849 -1.593 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.481 3.696 -3.171 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.587 2.477 -1.239 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.688 0.547 -4.972 1.00 0.00 H new ATOM 0 HE2 HIS X 47 79.788 0.648 -2.690 1.00 0.00 H new ATOM 742 N PRO X 48 77.932 5.506 -5.316 1.00 0.00 N ATOM 743 CA PRO X 48 77.918 5.829 -6.763 1.00 0.00 C ATOM 744 C PRO X 48 77.224 4.783 -7.584 1.00 0.00 C ATOM 745 O PRO X 48 76.863 5.004 -8.734 1.00 0.00 O ATOM 746 CB PRO X 48 79.380 5.788 -7.146 1.00 0.00 C ATOM 747 CG PRO X 48 80.137 5.853 -5.896 1.00 0.00 C ATOM 748 CD PRO X 48 79.287 5.205 -4.862 1.00 0.00 C ATOM 0 HA PRO X 48 77.403 6.774 -6.939 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.612 4.875 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.634 6.624 -7.798 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.093 5.338 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.357 6.886 -5.627 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.465 4.131 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.480 5.611 -3.869 1.00 0.00 H new ATOM 756 N ASP X 49 77.020 3.667 -6.981 1.00 0.00 N ATOM 757 CA ASP X 49 76.500 2.547 -7.641 1.00 0.00 C ATOM 758 C ASP X 49 75.307 2.119 -6.844 1.00 0.00 C ATOM 759 O ASP X 49 75.026 0.944 -6.724 1.00 0.00 O ATOM 760 CB ASP X 49 77.517 1.387 -7.698 1.00 0.00 C ATOM 761 CG ASP X 49 78.810 1.710 -8.410 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.804 1.871 -9.651 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.863 1.802 -7.738 1.00 0.00 O ATOM 0 H ASP X 49 77.218 3.514 -5.992 1.00 0.00 H new ATOM 0 HA ASP X 49 76.251 2.800 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.748 1.075 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.049 0.536 -8.193 1.00 0.00 H new ATOM 768 N GLY X 50 74.643 3.112 -6.248 1.00 0.00 N ATOM 769 CA GLY X 50 73.479 2.902 -5.393 1.00 0.00 C ATOM 770 C GLY X 50 72.501 1.980 -5.956 1.00 0.00 C ATOM 771 O GLY X 50 72.217 0.945 -5.373 1.00 0.00 O ATOM 0 H GLY X 50 74.903 4.093 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.812 2.521 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY X 50 72.997 3.862 -5.208 1.00 0.00 H new ATOM 775 N THR X 51 72.084 2.261 -7.108 1.00 0.00 N ATOM 776 CA THR X 51 71.014 1.496 -7.670 1.00 0.00 C ATOM 777 C THR X 51 71.540 0.144 -8.134 1.00 0.00 C ATOM 778 O THR X 51 70.857 -0.887 -7.997 1.00 0.00 O ATOM 779 CB THR X 51 70.347 2.238 -8.812 1.00 0.00 C ATOM 780 OG1 THR X 51 70.502 3.668 -8.599 1.00 0.00 O ATOM 781 CG2 THR X 51 68.876 1.925 -8.782 1.00 0.00 C ATOM 0 H THR X 51 72.449 3.008 -7.699 1.00 0.00 H new ATOM 0 HA THR X 51 70.258 1.338 -6.901 1.00 0.00 H new ATOM 0 HB THR X 51 70.793 1.942 -9.762 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.075 4.156 -9.334 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.376 2.449 -9.596 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.730 0.851 -8.898 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.455 2.248 -7.830 1.00 0.00 H new ATOM 789 N ALA X 52 72.788 0.145 -8.593 1.00 0.00 N ATOM 790 CA ALA X 52 73.459 -1.060 -9.019 1.00 0.00 C ATOM 791 C ALA X 52 73.552 -2.036 -7.884 1.00 0.00 C ATOM 792 O ALA X 52 73.401 -3.215 -8.095 1.00 0.00 O ATOM 793 CB ALA X 52 74.830 -0.751 -9.564 1.00 0.00 C ATOM 0 H ALA X 52 73.356 0.988 -8.677 1.00 0.00 H new ATOM 0 HA ALA X 52 72.872 -1.511 -9.819 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.314 -1.676 -9.878 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.739 -0.081 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.430 -0.272 -8.790 1.00 0.00 H new ATOM 799 N LEU X 53 73.751 -1.529 -6.668 1.00 0.00 N ATOM 800 CA LEU X 53 73.804 -2.378 -5.490 1.00 0.00 C ATOM 801 C LEU X 53 72.551 -3.182 -5.308 1.00 0.00 C ATOM 802 O LEU X 53 72.634 -4.366 -5.021 1.00 0.00 O ATOM 803 CB LEU X 53 74.111 -1.622 -4.209 1.00 0.00 C ATOM 804 CG LEU X 53 75.518 -1.069 -4.060 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.680 -0.491 -2.686 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.568 -2.149 -4.300 1.00 0.00 C ATOM 0 H LEU X 53 73.878 -0.535 -6.478 1.00 0.00 H new ATOM 0 HA LEU X 53 74.636 -3.056 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.409 -0.792 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU X 53 73.916 -2.287 -3.367 1.00 0.00 H new ATOM 0 HG LEU X 53 75.665 -0.291 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.689 -0.093 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU X 53 74.956 0.311 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.513 -1.270 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.564 -1.720 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.434 -2.954 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.458 -2.546 -5.309 1.00 0.00 H new ATOM 818 N ILE X 54 71.381 -2.565 -5.502 1.00 0.00 N ATOM 819 CA ILE X 54 70.138 -3.341 -5.319 1.00 0.00 C ATOM 820 C ILE X 54 70.060 -4.405 -6.403 1.00 0.00 C ATOM 821 O ILE X 54 69.703 -5.566 -6.160 1.00 0.00 O ATOM 822 CB ILE X 54 68.788 -2.530 -5.326 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.767 -1.409 -4.294 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.602 -3.460 -5.077 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.349 -0.123 -4.787 1.00 0.00 C ATOM 0 H ILE X 54 71.262 -1.588 -5.770 1.00 0.00 H new ATOM 0 HA ILE X 54 70.218 -3.749 -4.312 1.00 0.00 H new ATOM 0 HB ILE X 54 68.710 -2.076 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE X 54 67.737 -1.235 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.318 -1.731 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.678 -2.882 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.563 -4.218 -5.860 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.717 -3.945 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.298 0.626 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE X 54 70.389 -0.280 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE X 54 68.784 0.224 -5.652 1.00 0.00 H new ATOM 837 N TYR X 55 70.428 -3.995 -7.594 1.00 0.00 N ATOM 838 CA TYR X 55 70.416 -4.850 -8.746 1.00 0.00 C ATOM 839 C TYR X 55 71.380 -6.028 -8.613 1.00 0.00 C ATOM 840 O TYR X 55 70.976 -7.186 -8.799 1.00 0.00 O ATOM 841 CB TYR X 55 70.732 -4.050 -9.993 1.00 0.00 C ATOM 842 CG TYR X 55 69.562 -3.309 -10.585 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.618 -3.977 -11.347 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.409 -1.949 -10.403 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.556 -3.306 -11.907 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.351 -1.267 -10.955 1.00 0.00 C ATOM 847 CZ TYR X 55 67.426 -1.953 -11.706 1.00 0.00 C ATOM 848 OH TYR X 55 66.372 -1.284 -12.272 1.00 0.00 O ATOM 0 H TYR X 55 70.747 -3.046 -7.787 1.00 0.00 H new ATOM 0 HA TYR X 55 69.412 -5.268 -8.825 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.517 -3.331 -9.757 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.135 -4.725 -10.748 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.717 -5.041 -11.504 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.136 -1.409 -9.814 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.829 -3.839 -12.501 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.247 -0.203 -10.800 1.00 0.00 H new ATOM 0 HH TYR X 55 66.422 -0.334 -12.035 1.00 0.00 H new ATOM 858 N GLU X 56 72.623 -5.754 -8.254 1.00 0.00 N ATOM 859 CA GLU X 56 73.593 -6.807 -8.098 1.00 0.00 C ATOM 860 C GLU X 56 73.244 -7.699 -6.945 1.00 0.00 C ATOM 861 O GLU X 56 73.416 -8.889 -7.038 1.00 0.00 O ATOM 862 CB GLU X 56 75.054 -6.327 -8.028 1.00 0.00 C ATOM 863 CG GLU X 56 75.358 -5.264 -6.997 1.00 0.00 C ATOM 864 CD GLU X 56 76.837 -5.063 -6.823 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.443 -4.280 -7.589 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.443 -5.721 -5.938 1.00 0.00 O ATOM 0 H GLU X 56 72.976 -4.815 -8.068 1.00 0.00 H new ATOM 0 HA GLU X 56 73.537 -7.390 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.689 -7.190 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.336 -5.944 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.896 -4.324 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.915 -5.546 -6.042 1.00 0.00 H new ATOM 873 N ALA X 57 72.706 -7.120 -5.870 1.00 0.00 N ATOM 874 CA ALA X 57 72.289 -7.896 -4.704 1.00 0.00 C ATOM 875 C ALA X 57 71.273 -8.940 -5.096 1.00 0.00 C ATOM 876 O ALA X 57 71.334 -10.066 -4.633 1.00 0.00 O ATOM 877 CB ALA X 57 71.705 -7.005 -3.641 1.00 0.00 C ATOM 0 H ALA X 57 72.549 -6.116 -5.784 1.00 0.00 H new ATOM 0 HA ALA X 57 73.175 -8.388 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.403 -7.609 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.452 -6.277 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.836 -6.483 -4.041 1.00 0.00 H new ATOM 883 N ALA X 58 70.365 -8.562 -5.987 1.00 0.00 N ATOM 884 CA ALA X 58 69.350 -9.471 -6.485 1.00 0.00 C ATOM 885 C ALA X 58 69.997 -10.666 -7.178 1.00 0.00 C ATOM 886 O ALA X 58 69.655 -11.803 -6.900 1.00 0.00 O ATOM 887 CB ALA X 58 68.392 -8.749 -7.424 1.00 0.00 C ATOM 0 H ALA X 58 70.314 -7.622 -6.380 1.00 0.00 H new ATOM 0 HA ALA X 58 68.773 -9.841 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.639 -9.450 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.903 -7.935 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.947 -8.345 -8.270 1.00 0.00 H new ATOM 893 N ALA X 59 70.980 -10.399 -8.023 1.00 0.00 N ATOM 894 CA ALA X 59 71.686 -11.458 -8.738 1.00 0.00 C ATOM 895 C ALA X 59 72.540 -12.275 -7.765 1.00 0.00 C ATOM 896 O ALA X 59 72.558 -13.517 -7.810 1.00 0.00 O ATOM 897 CB ALA X 59 72.549 -10.862 -9.839 1.00 0.00 C ATOM 0 H ALA X 59 71.310 -9.457 -8.233 1.00 0.00 H new ATOM 0 HA ALA X 59 70.954 -12.124 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA X 59 73.071 -11.661 -10.365 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.918 -10.317 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA X 59 73.278 -10.180 -9.401 1.00 0.00 H new ATOM 903 N ARG X 60 73.207 -11.569 -6.865 1.00 0.00 N ATOM 904 CA ARG X 60 74.051 -12.162 -5.837 1.00 0.00 C ATOM 905 C ARG X 60 73.240 -13.072 -4.911 1.00 0.00 C ATOM 906 O ARG X 60 73.734 -14.080 -4.452 1.00 0.00 O ATOM 907 CB ARG X 60 74.797 -11.062 -5.048 1.00 0.00 C ATOM 908 CG ARG X 60 75.845 -10.325 -5.885 1.00 0.00 C ATOM 909 CD ARG X 60 76.366 -9.052 -5.210 1.00 0.00 C ATOM 910 NE ARG X 60 77.094 -9.297 -3.958 1.00 0.00 N ATOM 911 CZ ARG X 60 77.721 -8.343 -3.231 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.796 -7.088 -3.678 1.00 0.00 N ATOM 913 NH2 ARG X 60 78.302 -8.653 -2.071 1.00 0.00 N ATOM 0 H ARG X 60 73.177 -10.550 -6.827 1.00 0.00 H new ATOM 0 HA ARG X 60 74.798 -12.787 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG X 60 74.072 -10.342 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG X 60 75.283 -11.511 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.683 -10.995 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG X 60 75.413 -10.066 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG X 60 77.023 -8.527 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.524 -8.390 -5.006 1.00 0.00 H new ATOM 0 HE ARG X 60 77.130 -10.256 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.379 -6.840 -4.575 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.271 -6.376 -3.123 1.00 0.00 H new ATOM 0 HH21 ARG X 60 78.275 -9.613 -1.728 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.773 -7.930 -1.527 1.00 0.00 H new ATOM 927 N ALA X 61 72.009 -12.702 -4.632 1.00 0.00 N ATOM 928 CA ALA X 61 71.117 -13.530 -3.830 1.00 0.00 C ATOM 929 C ALA X 61 70.488 -14.649 -4.648 1.00 0.00 C ATOM 930 O ALA X 61 70.317 -15.752 -4.160 1.00 0.00 O ATOM 931 CB ALA X 61 70.026 -12.694 -3.184 1.00 0.00 C ATOM 0 H ALA X 61 71.595 -11.826 -4.949 1.00 0.00 H new ATOM 0 HA ALA X 61 71.729 -13.982 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA X 61 69.376 -13.339 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA X 61 70.478 -11.943 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA X 61 69.439 -12.200 -3.959 1.00 0.00 H new ATOM 937 N ALA X 62 70.116 -14.355 -5.872 1.00 0.00 N ATOM 938 CA ALA X 62 69.440 -15.324 -6.715 1.00 0.00 C ATOM 939 C ALA X 62 70.337 -16.486 -7.090 1.00 0.00 C ATOM 940 O ALA X 62 69.967 -17.643 -6.919 1.00 0.00 O ATOM 941 CB ALA X 62 68.902 -14.658 -7.962 1.00 0.00 C ATOM 0 H ALA X 62 70.270 -13.448 -6.312 1.00 0.00 H new ATOM 0 HA ALA X 62 68.610 -15.727 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.398 -15.400 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.194 -13.878 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.726 -14.215 -8.522 1.00 0.00 H new ATOM 947 N ALA X 63 71.515 -16.184 -7.558 1.00 0.00 N ATOM 948 CA ALA X 63 72.416 -17.215 -8.019 1.00 0.00 C ATOM 949 C ALA X 63 73.408 -17.606 -6.945 1.00 0.00 C ATOM 950 O ALA X 63 74.060 -18.647 -7.053 1.00 0.00 O ATOM 951 CB ALA X 63 73.150 -16.739 -9.257 1.00 0.00 C ATOM 0 H ALA X 63 71.879 -15.234 -7.632 1.00 0.00 H new ATOM 0 HA ALA X 63 71.824 -18.097 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA X 63 73.828 -17.520 -9.601 1.00 0.00 H new ATOM 0 HB2 ALA X 63 72.429 -16.513 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.721 -15.842 -9.019 1.00 0.00 H new ATOM 957 N ASN X 64 73.483 -16.787 -5.899 1.00 0.00 N ATOM 958 CA ASN X 64 74.442 -16.898 -4.829 1.00 0.00 C ATOM 959 C ASN X 64 75.857 -17.247 -5.265 1.00 0.00 C ATOM 960 O ASN X 64 76.274 -18.401 -5.162 1.00 0.00 O ATOM 961 CB ASN X 64 74.006 -17.786 -3.677 1.00 0.00 C ATOM 962 CG ASN X 64 72.920 -17.249 -2.770 1.00 0.00 C ATOM 963 OD1 ASN X 64 72.117 -18.014 -2.236 1.00 0.00 O ATOM 964 ND2 ASN X 64 72.920 -15.970 -2.524 1.00 0.00 N ATOM 0 H ASN X 64 72.846 -15.999 -5.779 1.00 0.00 H new ATOM 0 HA ASN X 64 74.473 -15.875 -4.454 1.00 0.00 H new ATOM 0 HB2 ASN X 64 73.664 -18.735 -4.091 1.00 0.00 H new ATOM 0 HB3 ASN X 64 74.882 -18.003 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN X 64 72.241 -15.576 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN X 64 73.599 -15.362 -2.983 1.00 0.00 H new ATOM 971 N PRO X 65 76.604 -16.281 -5.842 1.00 0.00 N ATOM 972 CA PRO X 65 78.034 -16.465 -6.088 1.00 0.00 C ATOM 973 C PRO X 65 78.734 -16.458 -4.735 1.00 0.00 C ATOM 974 O PRO X 65 79.792 -17.058 -4.531 1.00 0.00 O ATOM 975 CB PRO X 65 78.427 -15.218 -6.894 1.00 0.00 C ATOM 976 CG PRO X 65 77.141 -14.650 -7.388 1.00 0.00 C ATOM 977 CD PRO X 65 76.132 -14.981 -6.342 1.00 0.00 C ATOM 0 HA PRO X 65 78.291 -17.388 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO X 65 78.962 -14.500 -6.272 1.00 0.00 H new ATOM 0 HB3 PRO X 65 79.087 -15.476 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO X 65 77.218 -13.572 -7.532 1.00 0.00 H new ATOM 0 HG3 PRO X 65 76.865 -15.082 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO X 65 76.104 -14.229 -5.553 1.00 0.00 H new ATOM 0 HD3 PRO X 65 75.126 -15.047 -6.756 1.00 0.00 H new ATOM 985 N GLY X 66 78.097 -15.768 -3.830 1.00 0.00 N ATOM 986 CA GLY X 66 78.467 -15.678 -2.484 1.00 0.00 C ATOM 987 C GLY X 66 77.240 -15.295 -1.719 1.00 0.00 C ATOM 988 O GLY X 66 76.341 -14.664 -2.290 1.00 0.00 O ATOM 0 H GLY X 66 77.259 -15.229 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY X 66 78.862 -16.629 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY X 66 79.253 -14.935 -2.349 1.00 0.00 H new ATOM 992 N GLY X 67 77.143 -15.708 -0.486 1.00 0.00 N ATOM 993 CA GLY X 67 76.023 -15.294 0.332 1.00 0.00 C ATOM 994 C GLY X 67 76.239 -13.876 0.808 1.00 0.00 C ATOM 995 O GLY X 67 75.296 -13.170 1.202 1.00 0.00 O ATOM 0 H GLY X 67 77.813 -16.323 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY X 67 75.098 -15.359 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY X 67 75.917 -15.963 1.186 1.00 0.00 H new ATOM 999 N ASP X 68 77.495 -13.473 0.766 1.00 0.00 N ATOM 1000 CA ASP X 68 77.932 -12.131 1.112 1.00 0.00 C ATOM 1001 C ASP X 68 77.353 -11.137 0.131 1.00 0.00 C ATOM 1002 O ASP X 68 77.695 -11.153 -1.067 1.00 0.00 O ATOM 1003 CB ASP X 68 79.460 -12.051 1.043 1.00 0.00 C ATOM 1004 CG ASP X 68 80.026 -10.710 1.477 1.00 0.00 C ATOM 1005 OD1 ASP X 68 79.969 -9.728 0.703 1.00 0.00 O ATOM 1006 OD2 ASP X 68 80.580 -10.628 2.581 1.00 0.00 O ATOM 0 H ASP X 68 78.260 -14.085 0.483 1.00 0.00 H new ATOM 0 HA ASP X 68 77.592 -11.899 2.121 1.00 0.00 H new ATOM 0 HB2 ASP X 68 79.884 -12.834 1.672 1.00 0.00 H new ATOM 0 HB3 ASP X 68 79.779 -12.255 0.021 1.00 0.00 H new ATOM 1011 N GLY X 69 76.459 -10.307 0.615 1.00 0.00 N ATOM 1012 CA GLY X 69 75.852 -9.281 -0.203 1.00 0.00 C ATOM 1013 C GLY X 69 74.677 -9.793 -0.979 1.00 0.00 C ATOM 1014 O GLY X 69 74.098 -9.078 -1.795 1.00 0.00 O ATOM 0 H GLY X 69 76.133 -10.323 1.581 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.533 -8.455 0.432 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.595 -8.883 -0.894 1.00 0.00 H new ATOM 1018 N GLY X 70 74.312 -11.025 -0.723 1.00 0.00 N ATOM 1019 CA GLY X 70 73.204 -11.616 -1.396 1.00 0.00 C ATOM 1020 C GLY X 70 71.915 -11.300 -0.698 1.00 0.00 C ATOM 1021 O GLY X 70 71.307 -12.181 -0.072 1.00 0.00 O ATOM 0 H GLY X 70 74.775 -11.633 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.163 -11.253 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.339 -12.697 -1.445 1.00 0.00 H new ATOM 1025 N GLY X 71 71.506 -10.061 -0.770 1.00 0.00 N ATOM 1026 CA GLY X 71 70.299 -9.677 -0.176 1.00 0.00 C ATOM 1027 C GLY X 71 70.364 -8.302 0.445 1.00 0.00 C ATOM 1028 O GLY X 71 71.422 -7.646 0.433 1.00 0.00 O ATOM 0 H GLY X 71 72.011 -9.311 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.508 -9.695 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.029 -10.404 0.590 1.00 0.00 H new ATOM 1032 N PRO X 72 69.259 -7.885 1.050 1.00 0.00 N ATOM 1033 CA PRO X 72 69.078 -6.551 1.623 1.00 0.00 C ATOM 1034 C PRO X 72 69.990 -6.307 2.824 1.00 0.00 C ATOM 1035 O PRO X 72 70.595 -5.268 2.958 1.00 0.00 O ATOM 1036 CB PRO X 72 67.611 -6.555 2.066 1.00 0.00 C ATOM 1037 CG PRO X 72 67.256 -7.993 2.210 1.00 0.00 C ATOM 1038 CD PRO X 72 68.081 -8.728 1.221 1.00 0.00 C ATOM 0 HA PRO X 72 69.325 -5.764 0.910 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.481 -6.020 3.007 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.975 -6.063 1.330 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.458 -8.344 3.222 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.194 -8.151 2.024 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.349 -9.720 1.583 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.548 -8.866 0.280 1.00 0.00 H new ATOM 1046 N GLU X 73 70.119 -7.303 3.647 1.00 0.00 N ATOM 1047 CA GLU X 73 70.916 -7.241 4.854 1.00 0.00 C ATOM 1048 C GLU X 73 72.375 -7.547 4.537 1.00 0.00 C ATOM 1049 O GLU X 73 73.215 -7.631 5.432 1.00 0.00 O ATOM 1050 CB GLU X 73 70.329 -8.176 5.906 1.00 0.00 C ATOM 1051 CG GLU X 73 68.864 -7.866 6.185 1.00 0.00 C ATOM 1052 CD GLU X 73 68.207 -8.782 7.170 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.354 -8.572 8.383 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.487 -9.710 6.739 1.00 0.00 O ATOM 0 H GLU X 73 69.666 -8.206 3.503 1.00 0.00 H new ATOM 0 HA GLU X 73 70.890 -6.233 5.268 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.424 -9.208 5.568 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.901 -8.089 6.830 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.787 -6.843 6.553 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.312 -7.909 5.246 1.00 0.00 H new ATOM 1061 N GLY X 74 72.659 -7.763 3.277 1.00 0.00 N ATOM 1062 CA GLY X 74 74.016 -7.887 2.876 1.00 0.00 C ATOM 1063 C GLY X 74 74.506 -6.654 2.165 1.00 0.00 C ATOM 1064 O GLY X 74 75.649 -6.260 2.340 1.00 0.00 O ATOM 0 H GLY X 74 71.971 -7.854 2.529 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.638 -8.072 3.752 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.123 -8.751 2.220 1.00 0.00 H new ATOM 1068 N ILE X 75 73.647 -6.010 1.381 1.00 0.00 N ATOM 1069 CA ILE X 75 74.023 -4.730 0.765 1.00 0.00 C ATOM 1070 C ILE X 75 74.244 -3.663 1.799 1.00 0.00 C ATOM 1071 O ILE X 75 74.931 -2.693 1.543 1.00 0.00 O ATOM 1072 CB ILE X 75 73.034 -4.195 -0.270 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.605 -4.448 0.175 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.329 -4.764 -1.631 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.571 -3.648 -0.539 1.00 0.00 C ATOM 0 H ILE X 75 72.707 -6.338 1.157 1.00 0.00 H new ATOM 0 HA ILE X 75 74.949 -4.962 0.238 1.00 0.00 H new ATOM 0 HB ILE X 75 73.153 -3.114 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.381 -5.506 0.040 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.531 -4.240 1.242 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.613 -4.370 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.339 -4.484 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.249 -5.850 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.584 -3.900 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.762 -2.586 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.609 -3.872 -1.605 1.00 0.00 H new ATOM 1087 N VAL X 76 73.661 -3.833 2.963 1.00 0.00 N ATOM 1088 CA VAL X 76 73.858 -2.944 4.024 1.00 0.00 C ATOM 1089 C VAL X 76 75.332 -2.942 4.459 1.00 0.00 C ATOM 1090 O VAL X 76 75.912 -1.908 4.748 1.00 0.00 O ATOM 1091 CB VAL X 76 72.932 -3.288 5.180 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.514 -3.093 4.849 1.00 0.00 C ATOM 1093 CG2 VAL X 76 73.179 -4.629 5.804 1.00 0.00 C ATOM 0 H VAL X 76 73.034 -4.609 3.176 1.00 0.00 H new ATOM 0 HA VAL X 76 73.613 -1.936 3.691 1.00 0.00 H new ATOM 0 HB VAL X 76 73.191 -2.563 5.951 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.900 -3.354 5.711 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.342 -2.050 4.584 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.246 -3.730 4.006 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.472 -4.787 6.618 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.049 -5.409 5.054 1.00 0.00 H new ATOM 0 HG23 VAL X 76 74.196 -4.667 6.194 1.00 0.00 H new ATOM 1103 N LYS X 77 75.907 -4.110 4.456 1.00 0.00 N ATOM 1104 CA LYS X 77 77.314 -4.312 4.709 1.00 0.00 C ATOM 1105 C LYS X 77 78.139 -3.639 3.606 1.00 0.00 C ATOM 1106 O LYS X 77 79.116 -2.954 3.881 1.00 0.00 O ATOM 1107 CB LYS X 77 77.597 -5.812 4.788 1.00 0.00 C ATOM 1108 CG LYS X 77 79.056 -6.209 4.819 1.00 0.00 C ATOM 1109 CD LYS X 77 79.177 -7.700 5.034 1.00 0.00 C ATOM 1110 CE LYS X 77 80.529 -8.230 4.623 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.644 -7.583 5.324 1.00 0.00 N ATOM 0 H LYS X 77 75.400 -4.976 4.273 1.00 0.00 H new ATOM 0 HA LYS X 77 77.597 -3.859 5.659 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.114 -6.206 5.682 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.127 -6.296 3.932 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.539 -5.927 3.883 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.571 -5.674 5.617 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.004 -7.928 6.086 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.400 -8.211 4.465 1.00 0.00 H new ATOM 0 HE2 LYS X 77 80.564 -9.303 4.812 1.00 0.00 H new ATOM 0 HE3 LYS X 77 80.655 -8.091 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.541 -8.014 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 81.654 -6.568 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 81.528 -7.707 6.350 1.00 0.00 H new ATOM 1125 N GLU X 78 77.693 -3.799 2.368 1.00 0.00 N ATOM 1126 CA GLU X 78 78.337 -3.165 1.204 1.00 0.00 C ATOM 1127 C GLU X 78 78.351 -1.633 1.393 1.00 0.00 C ATOM 1128 O GLU X 78 79.363 -0.954 1.161 1.00 0.00 O ATOM 1129 CB GLU X 78 77.504 -3.473 -0.050 1.00 0.00 C ATOM 1130 CG GLU X 78 77.369 -4.942 -0.454 1.00 0.00 C ATOM 1131 CD GLU X 78 78.634 -5.569 -0.971 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.075 -5.213 -2.092 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.161 -6.494 -0.338 1.00 0.00 O ATOM 0 H GLU X 78 76.879 -4.367 2.133 1.00 0.00 H new ATOM 0 HA GLU X 78 79.354 -3.544 1.103 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.502 -3.071 0.102 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.941 -2.931 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.023 -5.512 0.408 1.00 0.00 H new ATOM 0 HG3 GLU X 78 76.599 -5.025 -1.221 1.00 0.00 H new ATOM 1140 N ILE X 79 77.217 -1.124 1.812 1.00 0.00 N ATOM 1141 CA ILE X 79 77.028 0.297 2.100 1.00 0.00 C ATOM 1142 C ILE X 79 77.891 0.763 3.266 1.00 0.00 C ATOM 1143 O ILE X 79 78.584 1.787 3.165 1.00 0.00 O ATOM 1144 CB ILE X 79 75.531 0.616 2.439 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.622 0.422 1.222 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.359 2.025 3.017 1.00 0.00 C ATOM 1147 CD1 ILE X 79 74.925 1.361 0.083 1.00 0.00 C ATOM 0 H ILE X 79 76.380 -1.686 1.968 1.00 0.00 H new ATOM 0 HA ILE X 79 77.326 0.829 1.197 1.00 0.00 H new ATOM 0 HB ILE X 79 75.230 -0.097 3.206 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.716 -0.605 0.869 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.585 0.560 1.529 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.306 2.202 3.237 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.941 2.116 3.934 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.707 2.761 2.292 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.241 1.164 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.802 2.391 0.418 1.00 0.00 H new ATOM 0 HD13 ILE X 79 75.951 1.208 -0.251 1.00 0.00 H new ATOM 1159 N LYS X 80 77.889 0.001 4.344 1.00 0.00 N ATOM 1160 CA LYS X 80 78.576 0.417 5.547 1.00 0.00 C ATOM 1161 C LYS X 80 80.067 0.427 5.334 1.00 0.00 C ATOM 1162 O LYS X 80 80.748 1.308 5.821 1.00 0.00 O ATOM 1163 CB LYS X 80 78.182 -0.444 6.772 1.00 0.00 C ATOM 1164 CG LYS X 80 78.775 -1.850 6.807 1.00 0.00 C ATOM 1165 CD LYS X 80 78.100 -2.742 7.850 1.00 0.00 C ATOM 1166 CE LYS X 80 78.174 -2.164 9.250 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.562 -2.035 9.757 1.00 0.00 N ATOM 0 H LYS X 80 77.422 -0.903 4.409 1.00 0.00 H new ATOM 0 HA LYS X 80 78.259 1.436 5.768 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.487 0.082 7.677 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.096 -0.526 6.802 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.676 -2.308 5.823 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.841 -1.786 7.023 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.055 -2.887 7.576 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.572 -3.725 7.842 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.699 -1.183 9.256 1.00 0.00 H new ATOM 0 HE3 LYS X 80 77.604 -2.799 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.544 -1.667 10.729 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.023 -2.967 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.094 -1.380 9.149 1.00 0.00 H new ATOM 1181 N GLU X 81 80.570 -0.523 4.564 1.00 0.00 N ATOM 1182 CA GLU X 81 81.981 -0.586 4.327 1.00 0.00 C ATOM 1183 C GLU X 81 82.453 0.517 3.424 1.00 0.00 C ATOM 1184 O GLU X 81 83.514 1.069 3.642 1.00 0.00 O ATOM 1185 CB GLU X 81 82.438 -1.957 3.877 1.00 0.00 C ATOM 1186 CG GLU X 81 82.117 -3.016 4.904 1.00 0.00 C ATOM 1187 CD GLU X 81 82.886 -4.269 4.713 1.00 0.00 C ATOM 1188 OE1 GLU X 81 84.095 -4.288 5.028 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.313 -5.269 4.285 1.00 0.00 O ATOM 0 H GLU X 81 80.021 -1.248 4.102 1.00 0.00 H new ATOM 0 HA GLU X 81 82.465 -0.419 5.289 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.957 -2.209 2.932 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.512 -1.941 3.694 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.321 -2.621 5.899 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.051 -3.242 4.862 1.00 0.00 H new ATOM 1196 N TRP X 82 81.639 0.868 2.443 1.00 0.00 N ATOM 1197 CA TRP X 82 81.954 1.970 1.538 1.00 0.00 C ATOM 1198 C TRP X 82 82.022 3.245 2.344 1.00 0.00 C ATOM 1199 O TRP X 82 82.978 4.016 2.267 1.00 0.00 O ATOM 1200 CB TRP X 82 80.828 2.138 0.530 1.00 0.00 C ATOM 1201 CG TRP X 82 81.117 3.122 -0.575 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.745 2.857 -1.752 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.771 4.520 -0.615 1.00 0.00 C ATOM 1204 NE1 TRP X 82 81.805 3.985 -2.520 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.223 5.020 -1.847 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.126 5.394 0.272 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.050 6.345 -2.226 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.959 6.711 -0.101 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.416 7.176 -1.338 1.00 0.00 C ATOM 0 H TRP X 82 80.750 0.406 2.249 1.00 0.00 H new ATOM 0 HA TRP X 82 82.896 1.763 1.031 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.608 1.167 0.086 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.930 2.458 1.058 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.140 1.893 -2.038 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.220 4.044 -3.450 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.767 5.043 1.228 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.401 6.706 -3.181 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.467 7.395 0.574 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.266 8.213 -1.600 1.00 0.00 H new ATOM 1220 N ARG X 83 81.008 3.419 3.153 1.00 0.00 N ATOM 1221 CA ARG X 83 80.820 4.606 3.921 1.00 0.00 C ATOM 1222 C ARG X 83 81.939 4.739 4.958 1.00 0.00 C ATOM 1223 O ARG X 83 82.527 5.805 5.102 1.00 0.00 O ATOM 1224 CB ARG X 83 79.489 4.513 4.631 1.00 0.00 C ATOM 1225 CG ARG X 83 78.896 5.817 5.035 1.00 0.00 C ATOM 1226 CD ARG X 83 78.360 6.651 3.878 1.00 0.00 C ATOM 1227 NE ARG X 83 77.780 7.880 4.419 1.00 0.00 N ATOM 1228 CZ ARG X 83 77.427 8.984 3.765 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.325 9.008 2.441 1.00 0.00 N ATOM 1230 NH2 ARG X 83 77.087 10.049 4.463 1.00 0.00 N ATOM 0 H ARG X 83 80.279 2.720 3.293 1.00 0.00 H new ATOM 0 HA ARG X 83 80.840 5.476 3.265 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.783 3.997 3.980 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.612 3.896 5.521 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.085 5.631 5.739 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.651 6.397 5.565 1.00 0.00 H new ATOM 0 HD2 ARG X 83 79.162 6.887 3.178 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.608 6.090 3.323 1.00 0.00 H new ATOM 0 HE ARG X 83 77.626 7.892 5.427 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.519 8.166 1.899 1.00 0.00 H new ATOM 0 HH12 ARG X 83 77.052 9.868 1.966 1.00 0.00 H new ATOM 0 HH21 ARG X 83 77.098 10.016 5.482 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.813 10.907 3.984 1.00 0.00 H new ATOM 1244 N ALA X 84 82.233 3.643 5.647 1.00 0.00 N ATOM 1245 CA ALA X 84 83.265 3.609 6.677 1.00 0.00 C ATOM 1246 C ALA X 84 84.657 3.760 6.094 1.00 0.00 C ATOM 1247 O ALA X 84 85.481 4.472 6.647 1.00 0.00 O ATOM 1248 CB ALA X 84 83.169 2.343 7.505 1.00 0.00 C ATOM 0 H ALA X 84 81.761 2.750 5.507 1.00 0.00 H new ATOM 0 HA ALA X 84 83.089 4.464 7.330 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.951 2.345 8.265 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.193 2.298 7.988 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.294 1.475 6.858 1.00 0.00 H new ATOM 1254 N ALA X 85 84.915 3.109 4.963 1.00 0.00 N ATOM 1255 CA ALA X 85 86.219 3.203 4.313 1.00 0.00 C ATOM 1256 C ALA X 85 86.452 4.610 3.829 1.00 0.00 C ATOM 1257 O ALA X 85 87.570 5.128 3.891 1.00 0.00 O ATOM 1258 CB ALA X 85 86.336 2.223 3.154 1.00 0.00 C ATOM 0 H ALA X 85 84.242 2.514 4.480 1.00 0.00 H new ATOM 0 HA ALA X 85 86.981 2.943 5.047 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.319 2.320 2.693 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.207 1.206 3.523 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.566 2.441 2.414 1.00 0.00 H new ATOM 1264 N ASN X 86 85.388 5.242 3.373 1.00 0.00 N ATOM 1265 CA ASN X 86 85.461 6.610 2.906 1.00 0.00 C ATOM 1266 C ASN X 86 85.543 7.550 4.127 1.00 0.00 C ATOM 1267 O ASN X 86 85.991 8.685 4.030 1.00 0.00 O ATOM 1268 CB ASN X 86 84.224 6.964 2.069 1.00 0.00 C ATOM 1269 CG ASN X 86 84.461 8.111 1.090 1.00 0.00 C ATOM 1270 OD1 ASN X 86 85.321 8.967 1.293 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.652 8.171 0.056 1.00 0.00 N ATOM 0 H ASN X 86 84.458 4.826 3.316 1.00 0.00 H new ATOM 0 HA ASN X 86 86.346 6.726 2.280 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.906 6.082 1.513 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.406 7.231 2.738 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.727 8.943 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN X 86 82.949 7.445 -0.084 1.00 0.00 H new ATOM 1278 N GLY X 87 85.094 7.051 5.267 1.00 0.00 N ATOM 1279 CA GLY X 87 85.133 7.801 6.503 1.00 0.00 C ATOM 1280 C GLY X 87 83.989 8.762 6.613 1.00 0.00 C ATOM 1281 O GLY X 87 84.167 9.915 7.020 1.00 0.00 O ATOM 0 H GLY X 87 84.694 6.117 5.357 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.109 7.111 7.347 1.00 0.00 H new ATOM 0 HA3 GLY X 87 86.074 8.348 6.565 1.00 0.00 H new ATOM 1285 N LYS X 88 82.816 8.306 6.240 1.00 0.00 N ATOM 1286 CA LYS X 88 81.657 9.079 6.224 1.00 0.00 C ATOM 1287 C LYS X 88 80.610 8.404 7.113 1.00 0.00 C ATOM 1288 O LYS X 88 80.582 7.177 7.185 1.00 0.00 O ATOM 1289 CB LYS X 88 81.248 9.140 4.765 1.00 0.00 C ATOM 1290 CG LYS X 88 82.167 10.060 3.956 1.00 0.00 C ATOM 1291 CD LYS X 88 82.105 9.864 2.445 1.00 0.00 C ATOM 1292 CE LYS X 88 80.802 10.242 1.799 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.411 11.637 2.088 1.00 0.00 N ATOM 0 H LYS X 88 82.667 7.345 5.932 1.00 0.00 H new ATOM 0 HA LYS X 88 81.786 10.088 6.615 1.00 0.00 H new ATOM 0 HB2 LYS X 88 81.271 8.137 4.339 1.00 0.00 H new ATOM 0 HB3 LYS X 88 80.220 9.495 4.690 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.912 11.095 4.184 1.00 0.00 H new ATOM 0 HG3 LYS X 88 83.194 9.904 4.286 1.00 0.00 H new ATOM 0 HD2 LYS X 88 82.902 10.450 1.987 1.00 0.00 H new ATOM 0 HD3 LYS X 88 82.311 8.817 2.223 1.00 0.00 H new ATOM 0 HE2 LYS X 88 80.882 10.107 0.720 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.019 9.569 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.603 11.902 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 80.143 11.722 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.212 12.270 1.889 1.00 0.00 H new ATOM 1307 N PRO X 89 79.775 9.177 7.833 1.00 0.00 N ATOM 1308 CA PRO X 89 78.757 8.619 8.751 1.00 0.00 C ATOM 1309 C PRO X 89 77.710 7.805 7.998 1.00 0.00 C ATOM 1310 O PRO X 89 77.143 8.276 7.002 1.00 0.00 O ATOM 1311 CB PRO X 89 78.117 9.866 9.387 1.00 0.00 C ATOM 1312 CG PRO X 89 78.405 10.971 8.430 1.00 0.00 C ATOM 1313 CD PRO X 89 79.740 10.654 7.826 1.00 0.00 C ATOM 0 HA PRO X 89 79.190 7.937 9.483 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.044 9.733 9.526 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.543 10.072 10.369 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.634 11.034 7.662 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.426 11.934 8.940 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.829 11.054 6.816 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.557 11.078 8.410 1.00 0.00 H new ATOM 1321 N GLY X 90 77.488 6.592 8.433 1.00 0.00 N ATOM 1322 CA GLY X 90 76.546 5.742 7.770 1.00 0.00 C ATOM 1323 C GLY X 90 75.327 5.474 8.602 1.00 0.00 C ATOM 1324 O GLY X 90 74.531 6.387 8.861 1.00 0.00 O ATOM 0 H GLY X 90 77.948 6.175 9.242 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.245 6.203 6.829 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.027 4.796 7.522 1.00 0.00 H new ATOM 1328 N PHE X 91 75.200 4.254 9.063 1.00 0.00 N ATOM 1329 CA PHE X 91 74.017 3.851 9.807 1.00 0.00 C ATOM 1330 C PHE X 91 74.154 4.213 11.258 1.00 0.00 C ATOM 1331 O PHE X 91 75.262 4.482 11.750 1.00 0.00 O ATOM 1332 CB PHE X 91 73.790 2.334 9.733 1.00 0.00 C ATOM 1333 CG PHE X 91 73.744 1.765 8.357 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.910 2.298 7.400 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.529 0.674 8.027 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.864 1.761 6.140 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.483 0.134 6.766 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.649 0.676 5.821 1.00 0.00 C ATOM 0 H PHE X 91 75.896 3.519 8.940 1.00 0.00 H new ATOM 0 HA PHE X 91 73.174 4.374 9.354 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.585 1.836 10.288 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.853 2.098 10.238 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.287 3.146 7.644 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.184 0.243 8.769 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.210 2.190 5.395 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.102 -0.716 6.518 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.608 0.252 4.828 1.00 0.00 H new ATOM 1348 N LYS X 92 73.049 4.244 11.927 1.00 0.00 N ATOM 1349 CA LYS X 92 73.019 4.389 13.312 1.00 0.00 C ATOM 1350 C LYS X 92 72.605 3.049 13.879 1.00 0.00 C ATOM 1351 O LYS X 92 72.213 2.140 13.135 1.00 0.00 O ATOM 1352 CB LYS X 92 71.995 5.422 13.709 1.00 0.00 C ATOM 1353 CG LYS X 92 70.586 5.041 13.371 1.00 0.00 C ATOM 1354 CD LYS X 92 69.553 5.925 14.043 1.00 0.00 C ATOM 1355 CE LYS X 92 69.549 5.733 15.554 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.472 6.496 16.193 1.00 0.00 N ATOM 0 H LYS X 92 72.127 4.166 11.497 1.00 0.00 H new ATOM 0 HA LYS X 92 73.993 4.708 13.684 1.00 0.00 H new ATOM 0 HB2 LYS X 92 72.066 5.596 14.783 1.00 0.00 H new ATOM 0 HB3 LYS X 92 72.234 6.365 13.217 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.451 5.092 12.291 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.416 4.005 13.665 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.759 6.969 13.809 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.564 5.698 13.644 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.433 4.674 15.786 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.510 6.046 15.963 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.500 6.341 17.221 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.597 7.509 15.992 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.554 6.180 15.820 1.00 0.00 H new ATOM 1370 N GLN X 93 72.674 2.920 15.144 1.00 0.00 N ATOM 1371 CA GLN X 93 72.288 1.727 15.797 1.00 0.00 C ATOM 1372 C GLN X 93 70.982 1.973 16.501 1.00 0.00 C ATOM 1373 O GLN X 93 70.758 3.058 17.044 1.00 0.00 O ATOM 1374 CB GLN X 93 73.344 1.359 16.791 1.00 0.00 C ATOM 1375 CG GLN X 93 74.623 0.681 16.237 1.00 0.00 C ATOM 1376 CD GLN X 93 75.291 1.422 15.089 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.032 1.147 13.914 1.00 0.00 O ATOM 1378 NE2 GLN X 93 76.102 2.382 15.407 1.00 0.00 N ATOM 0 H GLN X 93 73.006 3.652 15.771 1.00 0.00 H new ATOM 0 HA GLN X 93 72.170 0.914 15.081 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.642 2.264 17.320 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.898 0.691 17.528 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.342 0.574 17.049 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.368 -0.325 15.903 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.294 2.583 16.388 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.548 2.936 14.676 1.00 0.00 H new ATOM 1387 N GLY X 94 70.131 1.016 16.469 1.00 0.00 N ATOM 1388 CA GLY X 94 68.858 1.140 17.106 1.00 0.00 C ATOM 1389 C GLY X 94 67.987 -0.020 16.746 1.00 0.00 C ATOM 1390 O GLY X 94 68.211 -0.613 15.664 1.00 0.00 O ATOM 1391 OXT GLY X 94 67.051 -0.348 17.503 1.00 0.00 O ATOM 0 H GLY X 94 70.289 0.122 16.003 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.987 1.186 18.187 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.380 2.071 16.802 1.00 0.00 H new TER 1395 GLY X 94