USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 649 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 Single : A 1 GLY N :NH3+ -97:sc= 0.0654 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 16 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.8) USER MOD Single : A 18 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 30 HIS :FLIP+bothHN:sc= -0.157 F(o=-3.1,f=-0.16) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -3.55! C(o=-4.3!,f=-3.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0329) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.482 K(o=-0.48,f=-1.9!) USER MOD Single : A 71 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.61) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.131 19.006 7.634 1.00 0.00 N ATOM 2 CA GLY A 1 3.824 18.408 7.825 1.00 0.00 C ATOM 3 C GLY A 1 3.784 17.466 9.012 1.00 0.00 C ATOM 4 O GLY A 1 4.825 17.065 9.530 1.00 0.00 O ATOM 0 H1 GLY A 1 5.149 19.949 8.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.856 18.405 8.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.327 19.093 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.085 19.196 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.542 17.864 6.924 1.00 0.00 H new ATOM 8 N SER A 2 2.577 17.111 9.444 1.00 0.00 N ATOM 9 CA SER A 2 2.406 16.216 10.581 1.00 0.00 C ATOM 10 C SER A 2 3.427 15.083 10.538 1.00 0.00 C ATOM 11 O SER A 2 3.783 14.593 9.466 1.00 0.00 O ATOM 12 CB SER A 2 0.989 15.639 10.595 1.00 0.00 C ATOM 13 OG SER A 2 0.739 14.927 11.794 1.00 0.00 O ATOM 0 H SER A 2 1.704 17.430 9.023 1.00 0.00 H new ATOM 0 HA SER A 2 2.565 16.792 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.264 16.446 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.855 14.976 9.740 1.00 0.00 H new ATOM 0 HG SER A 2 -0.174 14.570 11.778 1.00 0.00 H new ATOM 19 N SER A 3 3.895 14.670 11.712 1.00 0.00 N ATOM 20 CA SER A 3 4.877 13.597 11.810 1.00 0.00 C ATOM 21 C SER A 3 4.344 12.447 12.659 1.00 0.00 C ATOM 22 O SER A 3 3.280 12.553 13.269 1.00 0.00 O ATOM 23 CB SER A 3 6.183 14.126 12.407 1.00 0.00 C ATOM 24 OG SER A 3 7.249 13.220 12.184 1.00 0.00 O ATOM 0 H SER A 3 3.609 15.063 12.609 1.00 0.00 H new ATOM 0 HA SER A 3 5.071 13.222 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.424 15.092 11.964 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.058 14.289 13.477 1.00 0.00 H new ATOM 0 HG SER A 3 8.072 13.582 12.573 1.00 0.00 H new ATOM 30 N GLY A 4 5.093 11.349 12.694 1.00 0.00 N ATOM 31 CA GLY A 4 4.680 10.195 13.472 1.00 0.00 C ATOM 32 C GLY A 4 5.640 9.885 14.602 1.00 0.00 C ATOM 33 O GLY A 4 6.847 9.770 14.388 1.00 0.00 O ATOM 0 H GLY A 4 5.977 11.238 12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.686 10.374 13.882 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.603 9.327 12.817 1.00 0.00 H new ATOM 37 N SER A 5 5.105 9.748 15.811 1.00 0.00 N ATOM 38 CA SER A 5 5.923 9.454 16.982 1.00 0.00 C ATOM 39 C SER A 5 6.421 8.013 16.948 1.00 0.00 C ATOM 40 O SER A 5 7.190 7.589 17.811 1.00 0.00 O ATOM 41 CB SER A 5 5.125 9.701 18.263 1.00 0.00 C ATOM 42 OG SER A 5 3.926 8.946 18.271 1.00 0.00 O ATOM 0 H SER A 5 4.108 9.836 16.005 1.00 0.00 H new ATOM 0 HA SER A 5 6.787 10.119 16.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.731 9.436 19.129 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.891 10.762 18.350 1.00 0.00 H new ATOM 0 HG SER A 5 3.435 9.120 19.101 1.00 0.00 H new ATOM 48 N SER A 6 5.976 7.262 15.945 1.00 0.00 N ATOM 49 CA SER A 6 6.372 5.867 15.800 1.00 0.00 C ATOM 50 C SER A 6 7.059 5.634 14.458 1.00 0.00 C ATOM 51 O SER A 6 6.401 5.456 13.434 1.00 0.00 O ATOM 52 CB SER A 6 5.152 4.952 15.927 1.00 0.00 C ATOM 53 OG SER A 6 4.573 5.050 17.217 1.00 0.00 O ATOM 0 H SER A 6 5.341 7.597 15.221 1.00 0.00 H new ATOM 0 HA SER A 6 7.078 5.631 16.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.413 5.219 15.172 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.446 3.920 15.734 1.00 0.00 H new ATOM 0 HG SER A 6 3.795 4.457 17.272 1.00 0.00 H new ATOM 59 N GLY A 7 8.389 5.637 14.472 1.00 0.00 N ATOM 60 CA GLY A 7 9.144 5.425 13.252 1.00 0.00 C ATOM 61 C GLY A 7 10.582 5.029 13.521 1.00 0.00 C ATOM 62 O GLY A 7 11.455 5.887 13.648 1.00 0.00 O ATOM 0 H GLY A 7 8.956 5.783 15.307 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.661 4.647 12.660 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.127 6.337 12.655 1.00 0.00 H new ATOM 66 N GLN A 8 10.828 3.726 13.609 1.00 0.00 N ATOM 67 CA GLN A 8 12.171 3.218 13.867 1.00 0.00 C ATOM 68 C GLN A 8 12.399 1.891 13.152 1.00 0.00 C ATOM 69 O GLN A 8 11.448 1.225 12.741 1.00 0.00 O ATOM 70 CB GLN A 8 12.393 3.045 15.371 1.00 0.00 C ATOM 71 CG GLN A 8 11.529 1.960 15.992 1.00 0.00 C ATOM 72 CD GLN A 8 12.143 1.372 17.247 1.00 0.00 C ATOM 73 OE1 GLN A 8 12.978 0.469 17.181 1.00 0.00 O ATOM 74 NE2 GLN A 8 11.733 1.884 18.403 1.00 0.00 N ATOM 0 H GLN A 8 10.116 3.003 13.506 1.00 0.00 H new ATOM 0 HA GLN A 8 12.887 3.944 13.482 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.442 2.810 15.550 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.189 3.992 15.871 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.549 2.373 16.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.371 1.165 15.263 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.039 2.632 18.412 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.112 1.529 19.281 1.00 0.00 H new ATOM 83 N ARG A 9 13.665 1.513 13.005 1.00 0.00 N ATOM 84 CA ARG A 9 14.017 0.267 12.337 1.00 0.00 C ATOM 85 C ARG A 9 13.412 0.210 10.938 1.00 0.00 C ATOM 86 O ARG A 9 12.901 -0.826 10.513 1.00 0.00 O ATOM 87 CB ARG A 9 13.537 -0.931 13.160 1.00 0.00 C ATOM 88 CG ARG A 9 14.089 -2.262 12.676 1.00 0.00 C ATOM 89 CD ARG A 9 13.130 -3.404 12.975 1.00 0.00 C ATOM 90 NE ARG A 9 13.365 -3.987 14.293 1.00 0.00 N ATOM 91 CZ ARG A 9 12.578 -4.905 14.842 1.00 0.00 C ATOM 92 NH1 ARG A 9 11.510 -5.344 14.189 1.00 0.00 N ATOM 93 NH2 ARG A 9 12.858 -5.387 16.046 1.00 0.00 N ATOM 0 H ARG A 9 14.463 2.052 13.340 1.00 0.00 H new ATOM 0 HA ARG A 9 15.103 0.227 12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.825 -0.785 14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.448 -0.967 13.132 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.274 -2.212 11.603 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.048 -2.456 13.156 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.104 -3.040 12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.237 -4.176 12.213 1.00 0.00 H new ATOM 0 HE ARG A 9 14.179 -3.672 14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.292 -4.976 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.907 -6.049 14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.679 -5.052 16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.253 -6.092 16.467 1.00 0.00 H new ATOM 107 N ASN A 10 13.474 1.330 10.226 1.00 0.00 N ATOM 108 CA ASN A 10 12.932 1.409 8.874 1.00 0.00 C ATOM 109 C ASN A 10 13.945 0.903 7.851 1.00 0.00 C ATOM 110 O ASN A 10 14.889 1.610 7.496 1.00 0.00 O ATOM 111 CB ASN A 10 12.534 2.848 8.545 1.00 0.00 C ATOM 112 CG ASN A 10 11.175 3.215 9.109 1.00 0.00 C ATOM 113 OD1 ASN A 10 11.043 3.510 10.297 1.00 0.00 O ATOM 114 ND2 ASN A 10 10.156 3.198 8.257 1.00 0.00 N ATOM 0 H ASN A 10 13.894 2.196 10.563 1.00 0.00 H new ATOM 0 HA ASN A 10 12.047 0.775 8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.286 3.530 8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.523 2.981 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.218 3.436 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.312 2.947 7.281 1.00 0.00 H new ATOM 121 N ARG A 11 13.743 -0.323 7.382 1.00 0.00 N ATOM 122 CA ARG A 11 14.638 -0.923 6.401 1.00 0.00 C ATOM 123 C ARG A 11 13.877 -1.317 5.138 1.00 0.00 C ATOM 124 O ARG A 11 13.219 -2.356 5.095 1.00 0.00 O ATOM 125 CB ARG A 11 15.331 -2.151 6.995 1.00 0.00 C ATOM 126 CG ARG A 11 14.406 -3.038 7.811 1.00 0.00 C ATOM 127 CD ARG A 11 15.187 -4.028 8.660 1.00 0.00 C ATOM 128 NE ARG A 11 14.322 -5.049 9.247 1.00 0.00 N ATOM 129 CZ ARG A 11 14.777 -6.163 9.809 1.00 0.00 C ATOM 130 NH1 ARG A 11 16.081 -6.398 9.861 1.00 0.00 N ATOM 131 NH2 ARG A 11 13.927 -7.044 10.320 1.00 0.00 N ATOM 0 H ARG A 11 12.967 -0.921 7.666 1.00 0.00 H new ATOM 0 HA ARG A 11 15.391 -0.182 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.765 -2.739 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.156 -1.822 7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.781 -2.419 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.737 -3.579 7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.950 -4.508 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.707 -3.493 9.455 1.00 0.00 H new ATOM 0 HE ARG A 11 13.314 -4.898 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.737 -5.722 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.428 -7.254 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.923 -6.866 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.277 -7.899 10.751 1.00 0.00 H new ATOM 145 N THR A 12 13.971 -0.478 4.111 1.00 0.00 N ATOM 146 CA THR A 12 13.290 -0.737 2.848 1.00 0.00 C ATOM 147 C THR A 12 13.751 -2.053 2.235 1.00 0.00 C ATOM 148 O THR A 12 14.895 -2.179 1.798 1.00 0.00 O ATOM 149 CB THR A 12 13.531 0.400 1.837 1.00 0.00 C ATOM 150 OG1 THR A 12 13.156 1.656 2.414 1.00 0.00 O ATOM 151 CG2 THR A 12 12.738 0.166 0.561 1.00 0.00 C ATOM 0 H THR A 12 14.512 0.387 4.129 1.00 0.00 H new ATOM 0 HA THR A 12 12.224 -0.797 3.070 1.00 0.00 H new ATOM 0 HB THR A 12 14.592 0.417 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.314 2.374 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.924 0.982 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.046 -0.777 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.674 0.125 0.796 1.00 0.00 H new ATOM 159 N SER A 13 12.854 -3.033 2.205 1.00 0.00 N ATOM 160 CA SER A 13 13.170 -4.344 1.647 1.00 0.00 C ATOM 161 C SER A 13 12.955 -4.357 0.137 1.00 0.00 C ATOM 162 O SER A 13 13.890 -4.576 -0.634 1.00 0.00 O ATOM 163 CB SER A 13 12.310 -5.423 2.306 1.00 0.00 C ATOM 164 OG SER A 13 12.905 -5.888 3.504 1.00 0.00 O ATOM 0 H SER A 13 11.902 -2.945 2.561 1.00 0.00 H new ATOM 0 HA SER A 13 14.220 -4.554 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.319 -5.022 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.175 -6.256 1.616 1.00 0.00 H new ATOM 0 HG SER A 13 12.335 -6.576 3.907 1.00 0.00 H new ATOM 170 N PHE A 14 11.716 -4.121 -0.280 1.00 0.00 N ATOM 171 CA PHE A 14 11.375 -4.106 -1.699 1.00 0.00 C ATOM 172 C PHE A 14 12.111 -2.982 -2.423 1.00 0.00 C ATOM 173 O PHE A 14 12.724 -2.119 -1.794 1.00 0.00 O ATOM 174 CB PHE A 14 9.865 -3.943 -1.880 1.00 0.00 C ATOM 175 CG PHE A 14 9.059 -4.997 -1.176 1.00 0.00 C ATOM 176 CD1 PHE A 14 8.730 -6.180 -1.818 1.00 0.00 C ATOM 177 CD2 PHE A 14 8.630 -4.805 0.128 1.00 0.00 C ATOM 178 CE1 PHE A 14 7.987 -7.151 -1.172 1.00 0.00 C ATOM 179 CE2 PHE A 14 7.889 -5.771 0.778 1.00 0.00 C ATOM 180 CZ PHE A 14 7.568 -6.947 0.128 1.00 0.00 C ATOM 0 H PHE A 14 10.930 -3.937 0.344 1.00 0.00 H new ATOM 0 HA PHE A 14 11.685 -5.057 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.567 -2.962 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.630 -3.968 -2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.057 -6.345 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.879 -3.888 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.735 -8.068 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.560 -5.608 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.990 -7.705 0.636 1.00 0.00 H new ATOM 190 N THR A 15 12.045 -2.999 -3.750 1.00 0.00 N ATOM 191 CA THR A 15 12.705 -1.984 -4.561 1.00 0.00 C ATOM 192 C THR A 15 11.686 -1.075 -5.239 1.00 0.00 C ATOM 193 O THR A 15 10.548 -1.474 -5.479 1.00 0.00 O ATOM 194 CB THR A 15 13.604 -2.622 -5.638 1.00 0.00 C ATOM 195 OG1 THR A 15 12.798 -3.198 -6.671 1.00 0.00 O ATOM 196 CG2 THR A 15 14.500 -3.691 -5.031 1.00 0.00 C ATOM 0 H THR A 15 11.541 -3.705 -4.286 1.00 0.00 H new ATOM 0 HA THR A 15 13.324 -1.393 -3.886 1.00 0.00 H new ATOM 0 HB THR A 15 14.234 -1.841 -6.063 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.377 -3.600 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.125 -4.127 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.134 -3.243 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.884 -4.470 -4.582 1.00 0.00 H new ATOM 204 N GLN A 16 12.105 0.149 -5.547 1.00 0.00 N ATOM 205 CA GLN A 16 11.228 1.115 -6.197 1.00 0.00 C ATOM 206 C GLN A 16 10.601 0.520 -7.454 1.00 0.00 C ATOM 207 O GLN A 16 9.481 0.870 -7.826 1.00 0.00 O ATOM 208 CB GLN A 16 12.005 2.384 -6.552 1.00 0.00 C ATOM 209 CG GLN A 16 11.123 3.609 -6.729 1.00 0.00 C ATOM 210 CD GLN A 16 10.389 3.613 -8.056 1.00 0.00 C ATOM 211 OE1 GLN A 16 9.181 3.380 -8.111 1.00 0.00 O ATOM 212 NE2 GLN A 16 11.118 3.877 -9.134 1.00 0.00 N ATOM 0 H GLN A 16 13.046 0.494 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 16 10.430 1.370 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.736 2.583 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.563 2.213 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.397 3.650 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.736 4.507 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.116 4.064 -9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.680 3.893 -10.055 1.00 0.00 H new ATOM 221 N GLU A 17 11.333 -0.380 -8.105 1.00 0.00 N ATOM 222 CA GLU A 17 10.848 -1.022 -9.321 1.00 0.00 C ATOM 223 C GLU A 17 9.668 -1.942 -9.018 1.00 0.00 C ATOM 224 O GLU A 17 8.791 -2.139 -9.858 1.00 0.00 O ATOM 225 CB GLU A 17 11.972 -1.817 -9.988 1.00 0.00 C ATOM 226 CG GLU A 17 12.817 -0.993 -10.945 1.00 0.00 C ATOM 227 CD GLU A 17 13.615 -1.852 -11.906 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.579 -2.507 -11.454 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.278 -1.869 -13.107 1.00 0.00 O ATOM 0 H GLU A 17 12.262 -0.680 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 17 10.511 -0.242 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.617 -2.235 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.539 -2.657 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.169 -0.325 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.499 -0.365 -10.373 1.00 0.00 H new ATOM 236 N GLN A 18 9.657 -2.501 -7.813 1.00 0.00 N ATOM 237 CA GLN A 18 8.587 -3.400 -7.399 1.00 0.00 C ATOM 238 C GLN A 18 7.458 -2.630 -6.724 1.00 0.00 C ATOM 239 O GLN A 18 6.281 -2.939 -6.916 1.00 0.00 O ATOM 240 CB GLN A 18 9.130 -4.471 -6.450 1.00 0.00 C ATOM 241 CG GLN A 18 10.310 -5.243 -7.015 1.00 0.00 C ATOM 242 CD GLN A 18 10.918 -6.199 -6.008 1.00 0.00 C ATOM 243 OE1 GLN A 18 10.971 -5.908 -4.812 1.00 0.00 O ATOM 244 NE2 GLN A 18 11.382 -7.347 -6.486 1.00 0.00 N ATOM 0 H GLN A 18 10.376 -2.347 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 18 8.188 -3.883 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.430 -3.998 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.330 -5.171 -6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.986 -5.803 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.073 -4.540 -7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.318 -7.547 -7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.803 -8.029 -5.855 1.00 0.00 H new ATOM 253 N ILE A 19 7.823 -1.627 -5.933 1.00 0.00 N ATOM 254 CA ILE A 19 6.840 -0.812 -5.230 1.00 0.00 C ATOM 255 C ILE A 19 5.903 -0.113 -6.210 1.00 0.00 C ATOM 256 O ILE A 19 4.730 0.107 -5.911 1.00 0.00 O ATOM 257 CB ILE A 19 7.518 0.248 -4.342 1.00 0.00 C ATOM 258 CG1 ILE A 19 8.385 -0.426 -3.277 1.00 0.00 C ATOM 259 CG2 ILE A 19 6.474 1.144 -3.695 1.00 0.00 C ATOM 260 CD1 ILE A 19 8.907 0.530 -2.228 1.00 0.00 C ATOM 0 H ILE A 19 8.792 -1.359 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 19 6.264 -1.488 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 19 8.161 0.867 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.803 -1.207 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.229 -0.915 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.969 1.888 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.896 1.648 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.807 0.540 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.513 -0.017 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.516 1.297 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.068 1.000 -1.715 1.00 0.00 H new ATOM 272 N GLU A 20 6.430 0.229 -7.381 1.00 0.00 N ATOM 273 CA GLU A 20 5.639 0.901 -8.405 1.00 0.00 C ATOM 274 C GLU A 20 4.528 -0.010 -8.921 1.00 0.00 C ATOM 275 O GLU A 20 3.401 0.432 -9.142 1.00 0.00 O ATOM 276 CB GLU A 20 6.533 1.340 -9.567 1.00 0.00 C ATOM 277 CG GLU A 20 7.386 0.217 -10.135 1.00 0.00 C ATOM 278 CD GLU A 20 8.168 0.644 -11.362 1.00 0.00 C ATOM 279 OE1 GLU A 20 9.079 1.487 -11.223 1.00 0.00 O ATOM 280 OE2 GLU A 20 7.870 0.134 -12.462 1.00 0.00 O ATOM 0 H GLU A 20 7.400 0.052 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 20 5.183 1.782 -7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.908 1.748 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.185 2.145 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.079 -0.131 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.746 -0.627 -10.392 1.00 0.00 H new ATOM 287 N ALA A 21 4.857 -1.284 -9.110 1.00 0.00 N ATOM 288 CA ALA A 21 3.888 -2.257 -9.599 1.00 0.00 C ATOM 289 C ALA A 21 2.989 -2.750 -8.469 1.00 0.00 C ATOM 290 O ALA A 21 1.833 -3.110 -8.695 1.00 0.00 O ATOM 291 CB ALA A 21 4.602 -3.429 -10.256 1.00 0.00 C ATOM 0 H ALA A 21 5.786 -1.666 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 21 3.260 -1.766 -10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.866 -4.148 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.198 -3.068 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.254 -3.912 -9.528 1.00 0.00 H new ATOM 297 N LEU A 22 3.526 -2.764 -7.255 1.00 0.00 N ATOM 298 CA LEU A 22 2.771 -3.214 -6.089 1.00 0.00 C ATOM 299 C LEU A 22 1.770 -2.152 -5.646 1.00 0.00 C ATOM 300 O LEU A 22 0.756 -2.465 -5.024 1.00 0.00 O ATOM 301 CB LEU A 22 3.723 -3.546 -4.939 1.00 0.00 C ATOM 302 CG LEU A 22 4.426 -4.902 -5.017 1.00 0.00 C ATOM 303 CD1 LEU A 22 5.760 -4.855 -4.291 1.00 0.00 C ATOM 304 CD2 LEU A 22 3.539 -5.996 -4.440 1.00 0.00 C ATOM 0 H LEU A 22 4.481 -2.469 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 22 2.220 -4.112 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.484 -2.767 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.161 -3.504 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 22 4.616 -5.132 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.245 -5.829 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.398 -4.100 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.595 -4.603 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.055 -6.954 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.317 -5.772 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.609 -6.047 -5.006 1.00 0.00 H new ATOM 316 N GLU A 23 2.062 -0.897 -5.974 1.00 0.00 N ATOM 317 CA GLU A 23 1.185 0.210 -5.611 1.00 0.00 C ATOM 318 C GLU A 23 0.003 0.305 -6.571 1.00 0.00 C ATOM 319 O GLU A 23 -1.145 0.448 -6.148 1.00 0.00 O ATOM 320 CB GLU A 23 1.963 1.527 -5.612 1.00 0.00 C ATOM 321 CG GLU A 23 2.622 1.845 -4.279 1.00 0.00 C ATOM 322 CD GLU A 23 2.796 3.335 -4.055 1.00 0.00 C ATOM 323 OE1 GLU A 23 1.983 4.115 -4.592 1.00 0.00 O ATOM 324 OE2 GLU A 23 3.747 3.720 -3.343 1.00 0.00 O ATOM 0 H GLU A 23 2.898 -0.622 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 23 0.802 0.023 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.729 1.486 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.286 2.339 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.020 1.428 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.596 1.358 -4.234 1.00 0.00 H new ATOM 331 N LYS A 24 0.291 0.226 -7.865 1.00 0.00 N ATOM 332 CA LYS A 24 -0.747 0.303 -8.887 1.00 0.00 C ATOM 333 C LYS A 24 -1.797 -0.783 -8.678 1.00 0.00 C ATOM 334 O LYS A 24 -2.996 -0.528 -8.788 1.00 0.00 O ATOM 335 CB LYS A 24 -0.129 0.168 -10.281 1.00 0.00 C ATOM 336 CG LYS A 24 -0.897 0.912 -11.361 1.00 0.00 C ATOM 337 CD LYS A 24 -0.014 1.224 -12.558 1.00 0.00 C ATOM 338 CE LYS A 24 -0.731 2.112 -13.562 1.00 0.00 C ATOM 339 NZ LYS A 24 0.175 2.553 -14.659 1.00 0.00 N ATOM 0 H LYS A 24 1.235 0.109 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.233 1.275 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.895 0.540 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.077 -0.888 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.748 0.312 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.297 1.839 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.898 1.717 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.287 0.295 -13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.578 1.571 -13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.134 2.986 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.351 3.156 -15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.970 3.091 -14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.540 1.720 -15.164 1.00 0.00 H new ATOM 353 N GLU A 25 -1.339 -1.993 -8.373 1.00 0.00 N ATOM 354 CA GLU A 25 -2.241 -3.117 -8.148 1.00 0.00 C ATOM 355 C GLU A 25 -3.115 -2.874 -6.920 1.00 0.00 C ATOM 356 O GLU A 25 -4.275 -3.286 -6.880 1.00 0.00 O ATOM 357 CB GLU A 25 -1.446 -4.411 -7.975 1.00 0.00 C ATOM 358 CG GLU A 25 -2.318 -5.637 -7.755 1.00 0.00 C ATOM 359 CD GLU A 25 -3.410 -5.769 -8.796 1.00 0.00 C ATOM 360 OE1 GLU A 25 -3.171 -5.385 -9.961 1.00 0.00 O ATOM 361 OE2 GLU A 25 -4.505 -6.259 -8.448 1.00 0.00 O ATOM 0 H GLU A 25 -0.349 -2.220 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.888 -3.212 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.828 -4.569 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.768 -4.301 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.694 -6.530 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.770 -5.584 -6.764 1.00 0.00 H new ATOM 368 N PHE A 26 -2.550 -2.205 -5.922 1.00 0.00 N ATOM 369 CA PHE A 26 -3.275 -1.909 -4.692 1.00 0.00 C ATOM 370 C PHE A 26 -4.310 -0.810 -4.922 1.00 0.00 C ATOM 371 O PHE A 26 -5.453 -0.919 -4.481 1.00 0.00 O ATOM 372 CB PHE A 26 -2.302 -1.485 -3.590 1.00 0.00 C ATOM 373 CG PHE A 26 -2.975 -1.174 -2.283 1.00 0.00 C ATOM 374 CD1 PHE A 26 -3.697 -0.002 -2.123 1.00 0.00 C ATOM 375 CD2 PHE A 26 -2.884 -2.052 -1.216 1.00 0.00 C ATOM 376 CE1 PHE A 26 -4.318 0.287 -0.923 1.00 0.00 C ATOM 377 CE2 PHE A 26 -3.503 -1.768 -0.013 1.00 0.00 C ATOM 378 CZ PHE A 26 -4.219 -0.597 0.134 1.00 0.00 C ATOM 0 H PHE A 26 -1.591 -1.857 -5.940 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.795 -2.815 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.573 -2.280 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.749 -0.607 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.775 0.693 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.323 -2.969 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.880 1.203 -0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.426 -2.462 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.701 -0.372 1.074 1.00 0.00 H new ATOM 388 N GLU A 27 -3.898 0.246 -5.615 1.00 0.00 N ATOM 389 CA GLU A 27 -4.788 1.365 -5.903 1.00 0.00 C ATOM 390 C GLU A 27 -6.095 0.876 -6.519 1.00 0.00 C ATOM 391 O GLU A 27 -7.152 1.474 -6.317 1.00 0.00 O ATOM 392 CB GLU A 27 -4.107 2.359 -6.845 1.00 0.00 C ATOM 393 CG GLU A 27 -2.996 3.159 -6.187 1.00 0.00 C ATOM 394 CD GLU A 27 -2.824 4.535 -6.801 1.00 0.00 C ATOM 395 OE1 GLU A 27 -3.846 5.213 -7.035 1.00 0.00 O ATOM 396 OE2 GLU A 27 -1.666 4.933 -7.047 1.00 0.00 O ATOM 0 H GLU A 27 -2.954 0.351 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.015 1.866 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.697 1.817 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.856 3.047 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.210 3.264 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.059 2.609 -6.270 1.00 0.00 H new ATOM 403 N ARG A 28 -6.014 -0.216 -7.273 1.00 0.00 N ATOM 404 CA ARG A 28 -7.190 -0.785 -7.922 1.00 0.00 C ATOM 405 C ARG A 28 -7.918 -1.743 -6.983 1.00 0.00 C ATOM 406 O ARG A 28 -9.143 -1.704 -6.865 1.00 0.00 O ATOM 407 CB ARG A 28 -6.787 -1.518 -9.203 1.00 0.00 C ATOM 408 CG ARG A 28 -7.880 -1.543 -10.259 1.00 0.00 C ATOM 409 CD ARG A 28 -7.794 -0.335 -11.179 1.00 0.00 C ATOM 410 NE ARG A 28 -6.777 -0.506 -12.213 1.00 0.00 N ATOM 411 CZ ARG A 28 -6.690 0.264 -13.292 1.00 0.00 C ATOM 412 NH1 ARG A 28 -7.554 1.252 -13.476 1.00 0.00 N ATOM 413 NH2 ARG A 28 -5.737 0.046 -14.189 1.00 0.00 N ATOM 0 H ARG A 28 -5.147 -0.724 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.865 0.032 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.900 -1.041 -9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.511 -2.542 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.798 -2.457 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.856 -1.563 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.763 -0.167 -11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.567 0.554 -10.590 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.097 -1.257 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.288 1.423 -12.788 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.485 1.842 -14.305 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.070 -0.713 -14.050 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.671 0.638 -15.017 1.00 0.00 H new ATOM 427 N THR A 29 -7.156 -2.604 -6.317 1.00 0.00 N ATOM 428 CA THR A 29 -7.728 -3.574 -5.391 1.00 0.00 C ATOM 429 C THR A 29 -6.813 -3.794 -4.191 1.00 0.00 C ATOM 430 O THR A 29 -5.639 -4.131 -4.346 1.00 0.00 O ATOM 431 CB THR A 29 -7.986 -4.926 -6.081 1.00 0.00 C ATOM 432 OG1 THR A 29 -8.545 -5.855 -5.145 1.00 0.00 O ATOM 433 CG2 THR A 29 -6.699 -5.493 -6.659 1.00 0.00 C ATOM 0 H THR A 29 -6.141 -2.650 -6.401 1.00 0.00 H new ATOM 0 HA THR A 29 -8.678 -3.163 -5.050 1.00 0.00 H new ATOM 0 HB THR A 29 -8.691 -4.764 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.708 -6.712 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.907 -6.448 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.292 -4.797 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.975 -5.641 -5.858 1.00 0.00 H new ATOM 441 N HIS A 30 -7.357 -3.603 -2.993 1.00 0.00 N ATOM 442 CA HIS A 30 -6.590 -3.783 -1.766 1.00 0.00 C ATOM 443 C HIS A 30 -6.395 -5.265 -1.460 1.00 0.00 C ATOM 444 O HIS A 30 -5.596 -5.630 -0.597 1.00 0.00 O ATOM 445 CB HIS A 30 -7.291 -3.096 -0.595 1.00 0.00 C ATOM 446 CG HIS A 30 -7.432 -1.614 -0.767 1.00 0.00 C ATOM 447 ND1 HIS A 30 -7.211 -0.822 -1.843 1.00 0.00 N flip ATOM 448 CD2 HIS A 30 -7.844 -0.774 0.245 1.00 0.00 C flip ATOM 449 CE1 HIS A 30 -7.492 0.467 -1.465 1.00 0.00 C flip ATOM 450 NE2 HIS A 30 -7.872 0.469 -0.200 1.00 0.00 N flip ATOM 0 H HIS A 30 -8.327 -3.323 -2.846 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.610 -3.328 -1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.281 -3.534 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.733 -3.296 0.320 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.894 -1.127 -2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.104 -1.084 1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.415 1.338 -2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.141 1.291 0.341 1.00 0.00 H new ATOM 459 N TYR A 31 -7.131 -6.112 -2.170 1.00 0.00 N ATOM 460 CA TYR A 31 -7.042 -7.554 -1.971 1.00 0.00 C ATOM 461 C TYR A 31 -6.790 -8.272 -3.294 1.00 0.00 C ATOM 462 O TYR A 31 -7.709 -8.770 -3.944 1.00 0.00 O ATOM 463 CB TYR A 31 -8.326 -8.081 -1.329 1.00 0.00 C ATOM 464 CG TYR A 31 -8.735 -7.325 -0.085 1.00 0.00 C ATOM 465 CD1 TYR A 31 -7.865 -7.198 0.992 1.00 0.00 C ATOM 466 CD2 TYR A 31 -9.991 -6.740 0.014 1.00 0.00 C ATOM 467 CE1 TYR A 31 -8.236 -6.508 2.131 1.00 0.00 C ATOM 468 CE2 TYR A 31 -10.368 -6.047 1.148 1.00 0.00 C ATOM 469 CZ TYR A 31 -9.488 -5.934 2.204 1.00 0.00 C ATOM 470 OH TYR A 31 -9.861 -5.246 3.335 1.00 0.00 O ATOM 0 H TYR A 31 -7.796 -5.826 -2.888 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.202 -7.752 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.135 -8.029 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.191 -9.133 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.884 -7.646 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.684 -6.828 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.549 -6.419 2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.347 -5.596 1.207 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.772 -4.903 3.224 1.00 0.00 H new ATOM 480 N PRO A 32 -5.514 -8.327 -3.702 1.00 0.00 N ATOM 481 CA PRO A 32 -5.109 -8.983 -4.949 1.00 0.00 C ATOM 482 C PRO A 32 -5.256 -10.498 -4.882 1.00 0.00 C ATOM 483 O PRO A 32 -4.369 -11.196 -4.388 1.00 0.00 O ATOM 484 CB PRO A 32 -3.635 -8.594 -5.093 1.00 0.00 C ATOM 485 CG PRO A 32 -3.178 -8.324 -3.701 1.00 0.00 C ATOM 486 CD PRO A 32 -4.367 -7.755 -2.977 1.00 0.00 C ATOM 0 HA PRO A 32 -5.729 -8.675 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.057 -9.396 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.517 -7.715 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.830 -9.238 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.344 -7.622 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.372 -8.042 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.374 -6.666 -3.010 1.00 0.00 H new ATOM 494 N ASP A 33 -6.378 -11.003 -5.382 1.00 0.00 N ATOM 495 CA ASP A 33 -6.641 -12.438 -5.380 1.00 0.00 C ATOM 496 C ASP A 33 -5.471 -13.204 -5.989 1.00 0.00 C ATOM 497 O ASP A 33 -4.493 -12.609 -6.442 1.00 0.00 O ATOM 498 CB ASP A 33 -7.925 -12.745 -6.150 1.00 0.00 C ATOM 499 CG ASP A 33 -9.147 -12.114 -5.513 1.00 0.00 C ATOM 500 OD1 ASP A 33 -9.191 -12.030 -4.267 1.00 0.00 O ATOM 501 OD2 ASP A 33 -10.060 -11.705 -6.259 1.00 0.00 O ATOM 0 H ASP A 33 -7.121 -10.439 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.764 -12.759 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.826 -12.385 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.064 -13.825 -6.204 1.00 0.00 H new ATOM 506 N VAL A 34 -5.577 -14.529 -5.996 1.00 0.00 N ATOM 507 CA VAL A 34 -4.529 -15.377 -6.550 1.00 0.00 C ATOM 508 C VAL A 34 -4.182 -14.964 -7.975 1.00 0.00 C ATOM 509 O VAL A 34 -3.019 -14.987 -8.374 1.00 0.00 O ATOM 510 CB VAL A 34 -4.947 -16.861 -6.545 1.00 0.00 C ATOM 511 CG1 VAL A 34 -6.200 -17.066 -7.382 1.00 0.00 C ATOM 512 CG2 VAL A 34 -3.809 -17.735 -7.049 1.00 0.00 C ATOM 0 H VAL A 34 -6.379 -15.038 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.652 -15.251 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.173 -17.154 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.480 -18.119 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.014 -16.468 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.006 -16.757 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.121 -18.779 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.549 -17.443 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.940 -17.609 -6.403 1.00 0.00 H new ATOM 522 N PHE A 35 -5.202 -14.584 -8.739 1.00 0.00 N ATOM 523 CA PHE A 35 -5.006 -14.164 -10.122 1.00 0.00 C ATOM 524 C PHE A 35 -4.218 -12.859 -10.188 1.00 0.00 C ATOM 525 O PHE A 35 -3.611 -12.539 -11.209 1.00 0.00 O ATOM 526 CB PHE A 35 -6.355 -13.995 -10.822 1.00 0.00 C ATOM 527 CG PHE A 35 -6.902 -15.274 -11.390 1.00 0.00 C ATOM 528 CD1 PHE A 35 -6.134 -16.053 -12.240 1.00 0.00 C ATOM 529 CD2 PHE A 35 -8.182 -15.697 -11.072 1.00 0.00 C ATOM 530 CE1 PHE A 35 -6.633 -17.231 -12.764 1.00 0.00 C ATOM 531 CE2 PHE A 35 -8.687 -16.875 -11.591 1.00 0.00 C ATOM 532 CZ PHE A 35 -7.911 -17.641 -12.439 1.00 0.00 C ATOM 0 H PHE A 35 -6.172 -14.558 -8.424 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.434 -14.939 -10.633 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.074 -13.585 -10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.249 -13.266 -11.626 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.134 -15.736 -12.496 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.793 -15.100 -10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.025 -17.829 -13.426 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.686 -17.195 -11.334 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.304 -18.560 -12.848 1.00 0.00 H new ATOM 542 N ALA A 36 -4.235 -12.109 -9.091 1.00 0.00 N ATOM 543 CA ALA A 36 -3.522 -10.840 -9.022 1.00 0.00 C ATOM 544 C ALA A 36 -2.114 -11.030 -8.468 1.00 0.00 C ATOM 545 O ALA A 36 -1.146 -10.492 -9.007 1.00 0.00 O ATOM 546 CB ALA A 36 -4.297 -9.845 -8.171 1.00 0.00 C ATOM 0 H ALA A 36 -4.735 -12.359 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.435 -10.445 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.753 -8.902 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.280 -9.677 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.414 -10.242 -7.163 1.00 0.00 H new ATOM 552 N ARG A 37 -2.007 -11.796 -7.387 1.00 0.00 N ATOM 553 CA ARG A 37 -0.718 -12.055 -6.759 1.00 0.00 C ATOM 554 C ARG A 37 0.210 -12.806 -7.709 1.00 0.00 C ATOM 555 O ARG A 37 1.391 -12.483 -7.823 1.00 0.00 O ATOM 556 CB ARG A 37 -0.905 -12.859 -5.471 1.00 0.00 C ATOM 557 CG ARG A 37 -1.197 -11.999 -4.253 1.00 0.00 C ATOM 558 CD ARG A 37 -0.871 -12.732 -2.961 1.00 0.00 C ATOM 559 NE ARG A 37 -1.630 -13.973 -2.831 1.00 0.00 N ATOM 560 CZ ARG A 37 -1.204 -15.026 -2.141 1.00 0.00 C ATOM 561 NH1 ARG A 37 -0.032 -14.988 -1.523 1.00 0.00 N ATOM 562 NH2 ARG A 37 -1.952 -16.120 -2.069 1.00 0.00 N ATOM 0 H ARG A 37 -2.798 -12.248 -6.928 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.262 -11.095 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.722 -13.567 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.005 -13.445 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.614 -11.079 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.248 -11.711 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.196 -12.954 -2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.087 -12.084 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.536 -14.035 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.546 -14.149 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.292 -15.798 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.854 -16.153 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.624 -16.928 -1.539 1.00 0.00 H new ATOM 576 N GLU A 38 -0.335 -13.811 -8.389 1.00 0.00 N ATOM 577 CA GLU A 38 0.444 -14.608 -9.328 1.00 0.00 C ATOM 578 C GLU A 38 0.965 -13.744 -10.474 1.00 0.00 C ATOM 579 O GLU A 38 2.172 -13.653 -10.696 1.00 0.00 O ATOM 580 CB GLU A 38 -0.404 -15.754 -9.885 1.00 0.00 C ATOM 581 CG GLU A 38 -0.522 -16.938 -8.939 1.00 0.00 C ATOM 582 CD GLU A 38 -1.015 -18.192 -9.634 1.00 0.00 C ATOM 583 OE1 GLU A 38 -0.754 -18.340 -10.846 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.664 -19.024 -8.966 1.00 0.00 O ATOM 0 H GLU A 38 -1.312 -14.092 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 38 1.297 -15.023 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.402 -15.380 -10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.030 -16.093 -10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.450 -17.136 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.205 -16.684 -8.128 1.00 0.00 H new ATOM 591 N ARG A 39 0.046 -13.114 -11.197 1.00 0.00 N ATOM 592 CA ARG A 39 0.412 -12.260 -12.321 1.00 0.00 C ATOM 593 C ARG A 39 1.451 -11.224 -11.900 1.00 0.00 C ATOM 594 O ARG A 39 2.435 -10.995 -12.606 1.00 0.00 O ATOM 595 CB ARG A 39 -0.828 -11.557 -12.879 1.00 0.00 C ATOM 596 CG ARG A 39 -1.579 -12.378 -13.913 1.00 0.00 C ATOM 597 CD ARG A 39 -2.395 -11.491 -14.842 1.00 0.00 C ATOM 598 NE ARG A 39 -1.547 -10.715 -15.742 1.00 0.00 N ATOM 599 CZ ARG A 39 -2.020 -9.933 -16.706 1.00 0.00 C ATOM 600 NH1 ARG A 39 -3.329 -9.828 -16.896 1.00 0.00 N ATOM 601 NH2 ARG A 39 -1.185 -9.257 -17.485 1.00 0.00 N ATOM 0 H ARG A 39 -0.957 -13.178 -11.025 1.00 0.00 H new ATOM 0 HA ARG A 39 0.845 -12.889 -13.098 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.502 -11.320 -12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.528 -10.610 -13.328 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.871 -12.965 -14.498 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.239 -13.084 -13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.076 -12.109 -15.428 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.010 -10.814 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.536 -10.777 -15.624 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.974 -10.348 -16.301 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.690 -9.227 -17.637 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.178 -9.337 -17.344 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.550 -8.657 -18.225 1.00 0.00 H new ATOM 615 N LEU A 40 1.226 -10.601 -10.749 1.00 0.00 N ATOM 616 CA LEU A 40 2.143 -9.590 -10.235 1.00 0.00 C ATOM 617 C LEU A 40 3.469 -10.218 -9.817 1.00 0.00 C ATOM 618 O LEU A 40 4.536 -9.651 -10.048 1.00 0.00 O ATOM 619 CB LEU A 40 1.514 -8.862 -9.045 1.00 0.00 C ATOM 620 CG LEU A 40 1.943 -7.408 -8.846 1.00 0.00 C ATOM 621 CD1 LEU A 40 1.042 -6.473 -9.640 1.00 0.00 C ATOM 622 CD2 LEU A 40 1.923 -7.043 -7.369 1.00 0.00 C ATOM 0 H LEU A 40 0.417 -10.778 -10.154 1.00 0.00 H new ATOM 0 HA LEU A 40 2.338 -8.873 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.430 -8.888 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.751 -9.418 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 40 2.963 -7.297 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.362 -5.442 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.106 -6.719 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.012 -6.587 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.231 -6.005 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.914 -7.171 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.609 -7.692 -6.825 1.00 0.00 H new ATOM 634 N ALA A 41 3.394 -11.395 -9.205 1.00 0.00 N ATOM 635 CA ALA A 41 4.588 -12.103 -8.760 1.00 0.00 C ATOM 636 C ALA A 41 5.660 -12.105 -9.844 1.00 0.00 C ATOM 637 O ALA A 41 6.850 -11.984 -9.554 1.00 0.00 O ATOM 638 CB ALA A 41 4.238 -13.528 -8.359 1.00 0.00 C ATOM 0 H ALA A 41 2.518 -11.879 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 41 4.988 -11.581 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.139 -14.045 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.512 -13.509 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.812 -14.052 -9.214 1.00 0.00 H new ATOM 644 N ALA A 42 5.231 -12.243 -11.094 1.00 0.00 N ATOM 645 CA ALA A 42 6.155 -12.259 -12.222 1.00 0.00 C ATOM 646 C ALA A 42 6.366 -10.855 -12.780 1.00 0.00 C ATOM 647 O ALA A 42 7.355 -10.589 -13.462 1.00 0.00 O ATOM 648 CB ALA A 42 5.642 -13.190 -13.310 1.00 0.00 C ATOM 0 H ALA A 42 4.249 -12.345 -11.351 1.00 0.00 H new ATOM 0 HA ALA A 42 7.117 -12.628 -11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.341 -13.193 -14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.550 -14.200 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.667 -12.845 -13.654 1.00 0.00 H new ATOM 654 N LYS A 43 5.429 -9.960 -12.485 1.00 0.00 N ATOM 655 CA LYS A 43 5.511 -8.583 -12.957 1.00 0.00 C ATOM 656 C LYS A 43 6.636 -7.834 -12.251 1.00 0.00 C ATOM 657 O LYS A 43 7.259 -6.943 -12.830 1.00 0.00 O ATOM 658 CB LYS A 43 4.181 -7.863 -12.726 1.00 0.00 C ATOM 659 CG LYS A 43 4.181 -6.418 -13.195 1.00 0.00 C ATOM 660 CD LYS A 43 2.797 -5.976 -13.638 1.00 0.00 C ATOM 661 CE LYS A 43 2.723 -4.465 -13.806 1.00 0.00 C ATOM 662 NZ LYS A 43 1.335 -3.955 -13.626 1.00 0.00 N ATOM 0 H LYS A 43 4.604 -10.164 -11.921 1.00 0.00 H new ATOM 0 HA LYS A 43 5.725 -8.603 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.390 -8.404 -13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.942 -7.891 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.529 -5.773 -12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.883 -6.303 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.543 -6.461 -14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.058 -6.298 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.383 -3.986 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.085 -4.191 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.326 -2.922 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.710 -4.393 -14.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.999 -4.194 -12.671 1.00 0.00 H new ATOM 676 N ILE A 44 6.891 -8.200 -11.000 1.00 0.00 N ATOM 677 CA ILE A 44 7.943 -7.563 -10.217 1.00 0.00 C ATOM 678 C ILE A 44 8.984 -8.581 -9.763 1.00 0.00 C ATOM 679 O ILE A 44 9.991 -8.224 -9.150 1.00 0.00 O ATOM 680 CB ILE A 44 7.369 -6.846 -8.980 1.00 0.00 C ATOM 681 CG1 ILE A 44 6.303 -7.715 -8.310 1.00 0.00 C ATOM 682 CG2 ILE A 44 6.790 -5.495 -9.373 1.00 0.00 C ATOM 683 CD1 ILE A 44 5.602 -7.029 -7.158 1.00 0.00 C ATOM 0 H ILE A 44 6.384 -8.934 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 44 8.417 -6.827 -10.866 1.00 0.00 H new ATOM 0 HB ILE A 44 8.176 -6.679 -8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.562 -8.006 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.768 -8.632 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.388 -5.000 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.574 -4.877 -9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.993 -5.639 -10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.860 -7.703 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.333 -6.762 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.108 -6.127 -7.518 1.00 0.00 H new ATOM 695 N ASP A 45 8.736 -9.850 -10.070 1.00 0.00 N ATOM 696 CA ASP A 45 9.653 -10.921 -9.696 1.00 0.00 C ATOM 697 C ASP A 45 9.665 -11.123 -8.185 1.00 0.00 C ATOM 698 O ASP A 45 10.726 -11.261 -7.575 1.00 0.00 O ATOM 699 CB ASP A 45 11.065 -10.608 -10.194 1.00 0.00 C ATOM 700 CG ASP A 45 11.871 -11.861 -10.471 1.00 0.00 C ATOM 701 OD1 ASP A 45 11.297 -12.828 -11.014 1.00 0.00 O ATOM 702 OD2 ASP A 45 13.077 -11.874 -10.146 1.00 0.00 O ATOM 0 H ASP A 45 7.908 -10.162 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 45 9.307 -11.843 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.002 -10.011 -11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.584 -10.003 -9.451 1.00 0.00 H new ATOM 707 N LEU A 46 8.479 -11.138 -7.585 1.00 0.00 N ATOM 708 CA LEU A 46 8.353 -11.322 -6.144 1.00 0.00 C ATOM 709 C LEU A 46 7.489 -12.537 -5.823 1.00 0.00 C ATOM 710 O LEU A 46 6.573 -12.892 -6.567 1.00 0.00 O ATOM 711 CB LEU A 46 7.752 -10.070 -5.501 1.00 0.00 C ATOM 712 CG LEU A 46 8.740 -8.960 -5.141 1.00 0.00 C ATOM 713 CD1 LEU A 46 7.999 -7.696 -4.734 1.00 0.00 C ATOM 714 CD2 LEU A 46 9.673 -9.416 -4.028 1.00 0.00 C ATOM 0 H LEU A 46 7.591 -11.025 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 46 9.350 -11.490 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.007 -9.659 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.226 -10.369 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 46 9.341 -8.736 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.719 -6.918 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.374 -7.358 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.372 -7.905 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.369 -8.613 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.088 -9.669 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.231 -10.293 -4.357 1.00 0.00 H new ATOM 726 N PRO A 47 7.782 -13.189 -4.689 1.00 0.00 N ATOM 727 CA PRO A 47 7.041 -14.373 -4.243 1.00 0.00 C ATOM 728 C PRO A 47 5.622 -14.035 -3.798 1.00 0.00 C ATOM 729 O PRO A 47 5.403 -13.060 -3.080 1.00 0.00 O ATOM 730 CB PRO A 47 7.866 -14.883 -3.058 1.00 0.00 C ATOM 731 CG PRO A 47 8.582 -13.679 -2.549 1.00 0.00 C ATOM 732 CD PRO A 47 8.858 -12.822 -3.754 1.00 0.00 C ATOM 0 HA PRO A 47 6.922 -15.104 -5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.228 -15.318 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.566 -15.659 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.975 -13.143 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.509 -13.959 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.831 -11.761 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.843 -13.026 -4.175 1.00 0.00 H new ATOM 740 N GLU A 48 4.662 -14.849 -4.226 1.00 0.00 N ATOM 741 CA GLU A 48 3.264 -14.635 -3.871 1.00 0.00 C ATOM 742 C GLU A 48 3.122 -14.337 -2.380 1.00 0.00 C ATOM 743 O GLU A 48 2.202 -13.634 -1.963 1.00 0.00 O ATOM 744 CB GLU A 48 2.428 -15.862 -4.240 1.00 0.00 C ATOM 745 CG GLU A 48 0.991 -15.530 -4.609 1.00 0.00 C ATOM 746 CD GLU A 48 0.070 -16.730 -4.506 1.00 0.00 C ATOM 747 OE1 GLU A 48 0.378 -17.648 -3.717 1.00 0.00 O ATOM 748 OE2 GLU A 48 -0.958 -16.752 -5.215 1.00 0.00 O ATOM 0 H GLU A 48 4.827 -15.662 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 48 2.899 -13.775 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.900 -16.375 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.428 -16.557 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.625 -14.739 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.962 -15.141 -5.627 1.00 0.00 H new ATOM 755 N ALA A 49 4.038 -14.879 -1.584 1.00 0.00 N ATOM 756 CA ALA A 49 4.015 -14.671 -0.142 1.00 0.00 C ATOM 757 C ALA A 49 4.344 -13.224 0.209 1.00 0.00 C ATOM 758 O ALA A 49 3.741 -12.641 1.110 1.00 0.00 O ATOM 759 CB ALA A 49 4.989 -15.618 0.543 1.00 0.00 C ATOM 0 H ALA A 49 4.805 -15.465 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 49 3.007 -14.883 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.962 -15.452 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.707 -16.649 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.997 -15.433 0.173 1.00 0.00 H new ATOM 765 N ARG A 50 5.306 -12.650 -0.507 1.00 0.00 N ATOM 766 CA ARG A 50 5.716 -11.272 -0.269 1.00 0.00 C ATOM 767 C ARG A 50 4.567 -10.307 -0.545 1.00 0.00 C ATOM 768 O ARG A 50 4.187 -9.515 0.320 1.00 0.00 O ATOM 769 CB ARG A 50 6.916 -10.916 -1.148 1.00 0.00 C ATOM 770 CG ARG A 50 8.258 -11.197 -0.489 1.00 0.00 C ATOM 771 CD ARG A 50 8.712 -10.027 0.370 1.00 0.00 C ATOM 772 NE ARG A 50 9.723 -10.425 1.346 1.00 0.00 N ATOM 773 CZ ARG A 50 11.015 -10.545 1.059 1.00 0.00 C ATOM 774 NH1 ARG A 50 11.450 -10.300 -0.169 1.00 0.00 N ATOM 775 NH2 ARG A 50 11.873 -10.913 2.001 1.00 0.00 N ATOM 0 H ARG A 50 5.815 -13.118 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 50 6.001 -11.180 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.853 -11.479 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.863 -9.859 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.182 -12.094 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.006 -11.399 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.115 -9.242 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.853 -9.604 0.890 1.00 0.00 H new ATOM 0 HE ARG A 50 9.421 -10.622 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.793 -10.019 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.442 -10.393 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.541 -11.104 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.865 -11.005 1.780 1.00 0.00 H new ATOM 789 N ILE A 51 4.019 -10.378 -1.753 1.00 0.00 N ATOM 790 CA ILE A 51 2.913 -9.511 -2.142 1.00 0.00 C ATOM 791 C ILE A 51 1.907 -9.360 -1.004 1.00 0.00 C ATOM 792 O ILE A 51 1.471 -8.252 -0.693 1.00 0.00 O ATOM 793 CB ILE A 51 2.185 -10.052 -3.387 1.00 0.00 C ATOM 794 CG1 ILE A 51 3.073 -9.911 -4.624 1.00 0.00 C ATOM 795 CG2 ILE A 51 0.866 -9.320 -3.589 1.00 0.00 C ATOM 796 CD1 ILE A 51 2.688 -10.841 -5.754 1.00 0.00 C ATOM 0 H ILE A 51 4.322 -11.027 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 51 3.342 -8.537 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 51 1.971 -11.110 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.026 -8.882 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.108 -10.104 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.363 -9.713 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.231 -9.466 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.058 -8.256 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.360 -10.686 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.762 -11.875 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.664 -10.633 -6.063 1.00 0.00 H new ATOM 808 N GLN A 52 1.546 -10.481 -0.388 1.00 0.00 N ATOM 809 CA GLN A 52 0.592 -10.472 0.714 1.00 0.00 C ATOM 810 C GLN A 52 0.962 -9.411 1.745 1.00 0.00 C ATOM 811 O GLN A 52 0.178 -8.505 2.028 1.00 0.00 O ATOM 812 CB GLN A 52 0.536 -11.848 1.380 1.00 0.00 C ATOM 813 CG GLN A 52 0.397 -12.996 0.391 1.00 0.00 C ATOM 814 CD GLN A 52 -0.362 -14.175 0.969 1.00 0.00 C ATOM 815 OE1 GLN A 52 0.359 -15.240 1.297 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 -1.583 -14.127 1.119 1.00 0.00 N flip ATOM 0 H GLN A 52 1.899 -11.406 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.391 -10.232 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.441 -11.995 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.304 -11.873 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.116 -12.641 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.389 -13.324 0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.097 -13.287 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.081 -14.927 1.510 1.00 0.00 H new ATOM 825 N VAL A 53 2.162 -9.530 2.305 1.00 0.00 N ATOM 826 CA VAL A 53 2.637 -8.580 3.304 1.00 0.00 C ATOM 827 C VAL A 53 2.533 -7.147 2.794 1.00 0.00 C ATOM 828 O VAL A 53 1.830 -6.321 3.374 1.00 0.00 O ATOM 829 CB VAL A 53 4.097 -8.867 3.703 1.00 0.00 C ATOM 830 CG1 VAL A 53 4.551 -7.912 4.796 1.00 0.00 C ATOM 831 CG2 VAL A 53 4.251 -10.313 4.151 1.00 0.00 C ATOM 0 H VAL A 53 2.823 -10.275 2.084 1.00 0.00 H new ATOM 0 HA VAL A 53 1.999 -8.698 4.180 1.00 0.00 H new ATOM 0 HB VAL A 53 4.731 -8.710 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.585 -8.131 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.479 -6.886 4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.915 -8.034 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.288 -10.499 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.606 -10.498 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.969 -10.979 3.335 1.00 0.00 H new ATOM 841 N TRP A 54 3.238 -6.861 1.705 1.00 0.00 N ATOM 842 CA TRP A 54 3.225 -5.527 1.116 1.00 0.00 C ATOM 843 C TRP A 54 1.819 -4.940 1.129 1.00 0.00 C ATOM 844 O TRP A 54 1.627 -3.768 1.455 1.00 0.00 O ATOM 845 CB TRP A 54 3.759 -5.576 -0.317 1.00 0.00 C ATOM 846 CG TRP A 54 4.012 -4.219 -0.902 1.00 0.00 C ATOM 847 CD1 TRP A 54 5.227 -3.645 -1.146 1.00 0.00 C ATOM 848 CD2 TRP A 54 3.026 -3.267 -1.316 1.00 0.00 C ATOM 849 NE1 TRP A 54 5.056 -2.393 -1.686 1.00 0.00 N ATOM 850 CE2 TRP A 54 3.715 -2.138 -1.801 1.00 0.00 C ATOM 851 CE3 TRP A 54 1.629 -3.259 -1.326 1.00 0.00 C ATOM 852 CZ2 TRP A 54 3.053 -1.014 -2.288 1.00 0.00 C ATOM 853 CZ3 TRP A 54 0.973 -2.142 -1.809 1.00 0.00 C ATOM 854 CH2 TRP A 54 1.684 -1.033 -2.286 1.00 0.00 C ATOM 0 H TRP A 54 3.825 -7.534 1.213 1.00 0.00 H new ATOM 0 HA TRP A 54 3.871 -4.885 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.686 -6.149 -0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.045 -6.108 -0.946 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.182 -4.107 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.806 -1.757 -1.957 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.072 -4.110 -0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.600 -0.158 -2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.107 -2.124 -1.819 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.142 -0.177 -2.659 1.00 0.00 H new ATOM 865 N PHE A 55 0.836 -5.760 0.771 1.00 0.00 N ATOM 866 CA PHE A 55 -0.554 -5.321 0.741 1.00 0.00 C ATOM 867 C PHE A 55 -1.124 -5.220 2.153 1.00 0.00 C ATOM 868 O PHE A 55 -1.893 -4.310 2.460 1.00 0.00 O ATOM 869 CB PHE A 55 -1.398 -6.287 -0.094 1.00 0.00 C ATOM 870 CG PHE A 55 -1.419 -5.953 -1.557 1.00 0.00 C ATOM 871 CD1 PHE A 55 -0.294 -6.149 -2.343 1.00 0.00 C ATOM 872 CD2 PHE A 55 -2.564 -5.443 -2.149 1.00 0.00 C ATOM 873 CE1 PHE A 55 -0.311 -5.842 -3.690 1.00 0.00 C ATOM 874 CE2 PHE A 55 -2.587 -5.133 -3.496 1.00 0.00 C ATOM 875 CZ PHE A 55 -1.459 -5.335 -4.267 1.00 0.00 C ATOM 0 H PHE A 55 0.977 -6.733 0.498 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.586 -4.332 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.012 -7.298 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.420 -6.285 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.606 -6.546 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.449 -5.286 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.572 -5.998 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.485 -4.734 -3.944 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.475 -5.097 -5.320 1.00 0.00 H new ATOM 885 N SER A 56 -0.740 -6.163 3.008 1.00 0.00 N ATOM 886 CA SER A 56 -1.215 -6.184 4.386 1.00 0.00 C ATOM 887 C SER A 56 -0.867 -4.880 5.101 1.00 0.00 C ATOM 888 O SER A 56 -1.733 -4.232 5.687 1.00 0.00 O ATOM 889 CB SER A 56 -0.607 -7.369 5.140 1.00 0.00 C ATOM 890 OG SER A 56 -1.050 -7.398 6.486 1.00 0.00 O ATOM 0 H SER A 56 -0.101 -6.922 2.770 1.00 0.00 H new ATOM 0 HA SER A 56 -2.300 -6.291 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.881 -8.300 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.481 -7.302 5.113 1.00 0.00 H new ATOM 0 HG SER A 56 -0.649 -8.165 6.946 1.00 0.00 H new ATOM 896 N ASN A 57 0.406 -4.504 5.046 1.00 0.00 N ATOM 897 CA ASN A 57 0.869 -3.279 5.687 1.00 0.00 C ATOM 898 C ASN A 57 0.259 -2.050 5.017 1.00 0.00 C ATOM 899 O ASN A 57 -0.049 -1.059 5.679 1.00 0.00 O ATOM 900 CB ASN A 57 2.396 -3.197 5.635 1.00 0.00 C ATOM 901 CG ASN A 57 3.054 -3.926 6.791 1.00 0.00 C ATOM 902 OD1 ASN A 57 3.265 -3.354 7.860 1.00 0.00 O ATOM 903 ND2 ASN A 57 3.381 -5.195 6.579 1.00 0.00 N ATOM 0 H ASN A 57 1.135 -5.030 4.564 1.00 0.00 H new ATOM 0 HA ASN A 57 0.548 -3.300 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.748 -3.621 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.702 -2.151 5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.827 -5.737 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.187 -5.628 5.676 1.00 0.00 H new ATOM 910 N ARG A 58 0.089 -2.125 3.701 1.00 0.00 N ATOM 911 CA ARG A 58 -0.484 -1.019 2.942 1.00 0.00 C ATOM 912 C ARG A 58 -1.832 -0.600 3.522 1.00 0.00 C ATOM 913 O ARG A 58 -2.082 0.584 3.747 1.00 0.00 O ATOM 914 CB ARG A 58 -0.648 -1.412 1.474 1.00 0.00 C ATOM 915 CG ARG A 58 -0.702 -0.224 0.527 1.00 0.00 C ATOM 916 CD ARG A 58 0.665 0.424 0.369 1.00 0.00 C ATOM 917 NE ARG A 58 0.646 1.512 -0.605 1.00 0.00 N ATOM 918 CZ ARG A 58 0.191 2.731 -0.335 1.00 0.00 C ATOM 919 NH1 ARG A 58 -0.279 3.016 0.872 1.00 0.00 N ATOM 920 NH2 ARG A 58 0.206 3.669 -1.274 1.00 0.00 N ATOM 0 H ARG A 58 0.339 -2.938 3.139 1.00 0.00 H new ATOM 0 HA ARG A 58 0.199 -0.172 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.181 -2.059 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.562 -1.996 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.066 -0.550 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.413 0.511 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.998 0.807 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.389 -0.329 0.057 1.00 0.00 H new ATOM 0 HE ARG A 58 1.001 1.326 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.292 2.298 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.627 3.953 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.567 3.454 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.143 4.604 -1.066 1.00 0.00 H new ATOM 934 N ARG A 59 -2.696 -1.581 3.762 1.00 0.00 N ATOM 935 CA ARG A 59 -4.019 -1.315 4.315 1.00 0.00 C ATOM 936 C ARG A 59 -3.929 -0.375 5.513 1.00 0.00 C ATOM 937 O ARG A 59 -4.731 0.549 5.651 1.00 0.00 O ATOM 938 CB ARG A 59 -4.695 -2.623 4.728 1.00 0.00 C ATOM 939 CG ARG A 59 -4.828 -3.626 3.593 1.00 0.00 C ATOM 940 CD ARG A 59 -5.052 -5.035 4.118 1.00 0.00 C ATOM 941 NE ARG A 59 -5.055 -6.025 3.045 1.00 0.00 N ATOM 942 CZ ARG A 59 -4.764 -7.308 3.227 1.00 0.00 C ATOM 943 NH1 ARG A 59 -4.448 -7.754 4.435 1.00 0.00 N ATOM 944 NH2 ARG A 59 -4.789 -8.148 2.200 1.00 0.00 N ATOM 0 H ARG A 59 -2.504 -2.567 3.582 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.618 -0.833 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.124 -3.077 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.686 -2.401 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.660 -3.340 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.927 -3.604 2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.271 -5.282 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.001 -5.076 4.652 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.294 -5.714 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.428 -7.111 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.225 -8.740 4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.032 -7.809 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.565 -9.133 2.341 1.00 0.00 H new ATOM 958 N ALA A 60 -2.949 -0.619 6.376 1.00 0.00 N ATOM 959 CA ALA A 60 -2.754 0.206 7.562 1.00 0.00 C ATOM 960 C ALA A 60 -2.352 1.628 7.182 1.00 0.00 C ATOM 961 O ALA A 60 -2.704 2.588 7.867 1.00 0.00 O ATOM 962 CB ALA A 60 -1.703 -0.415 8.470 1.00 0.00 C ATOM 0 H ALA A 60 -2.278 -1.381 6.277 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.701 0.255 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.568 0.212 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.029 -1.409 8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.758 -0.494 7.932 1.00 0.00 H new ATOM 968 N LYS A 61 -1.612 1.756 6.086 1.00 0.00 N ATOM 969 CA LYS A 61 -1.163 3.059 5.614 1.00 0.00 C ATOM 970 C LYS A 61 -2.290 3.798 4.900 1.00 0.00 C ATOM 971 O LYS A 61 -2.280 5.026 4.809 1.00 0.00 O ATOM 972 CB LYS A 61 0.032 2.899 4.671 1.00 0.00 C ATOM 973 CG LYS A 61 0.386 4.168 3.916 1.00 0.00 C ATOM 974 CD LYS A 61 1.689 4.017 3.149 1.00 0.00 C ATOM 975 CE LYS A 61 1.965 5.227 2.271 1.00 0.00 C ATOM 976 NZ LYS A 61 2.166 6.463 3.078 1.00 0.00 N ATOM 0 H LYS A 61 -1.311 0.972 5.508 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.859 3.646 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.899 2.576 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.186 2.108 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.418 4.416 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.470 4.998 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.512 3.881 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.646 3.120 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.851 5.041 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.133 5.374 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.451 7.243 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.278 6.712 3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.909 6.298 3.787 1.00 0.00 H new ATOM 990 N TRP A 62 -3.260 3.043 4.396 1.00 0.00 N ATOM 991 CA TRP A 62 -4.395 3.627 3.693 1.00 0.00 C ATOM 992 C TRP A 62 -5.501 4.014 4.669 1.00 0.00 C ATOM 993 O TRP A 62 -6.023 5.128 4.620 1.00 0.00 O ATOM 994 CB TRP A 62 -4.937 2.645 2.653 1.00 0.00 C ATOM 995 CG TRP A 62 -6.051 3.211 1.824 1.00 0.00 C ATOM 996 CD1 TRP A 62 -5.932 4.065 0.765 1.00 0.00 C ATOM 997 CD2 TRP A 62 -7.452 2.966 1.989 1.00 0.00 C ATOM 998 NE1 TRP A 62 -7.174 4.365 0.261 1.00 0.00 N ATOM 999 CE2 TRP A 62 -8.123 3.702 0.993 1.00 0.00 C ATOM 1000 CE3 TRP A 62 -8.204 2.194 2.878 1.00 0.00 C ATOM 1001 CZ2 TRP A 62 -9.510 3.689 0.866 1.00 0.00 C ATOM 1002 CZ3 TRP A 62 -9.579 2.182 2.751 1.00 0.00 C ATOM 1003 CH2 TRP A 62 -10.221 2.924 1.751 1.00 0.00 C ATOM 0 H TRP A 62 -3.283 2.025 4.461 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.051 4.529 3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -4.124 2.338 1.995 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -5.291 1.748 3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.998 4.448 0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.360 4.982 -0.530 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.718 1.617 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.007 4.262 0.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -10.170 1.590 3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.298 2.892 1.677 1.00 0.00 H new ATOM 1014 N ARG A 63 -5.853 3.088 5.555 1.00 0.00 N ATOM 1015 CA ARG A 63 -6.897 3.332 6.542 1.00 0.00 C ATOM 1016 C ARG A 63 -6.512 4.483 7.467 1.00 0.00 C ATOM 1017 O ARG A 63 -7.353 5.303 7.837 1.00 0.00 O ATOM 1018 CB ARG A 63 -7.158 2.069 7.364 1.00 0.00 C ATOM 1019 CG ARG A 63 -7.784 0.939 6.562 1.00 0.00 C ATOM 1020 CD ARG A 63 -8.171 -0.230 7.455 1.00 0.00 C ATOM 1021 NE ARG A 63 -9.498 -0.056 8.040 1.00 0.00 N ATOM 1022 CZ ARG A 63 -10.626 -0.157 7.347 1.00 0.00 C ATOM 1023 NH1 ARG A 63 -10.588 -0.433 6.050 1.00 0.00 N ATOM 1024 NH2 ARG A 63 -11.795 0.014 7.951 1.00 0.00 N ATOM 0 H ARG A 63 -5.430 2.161 5.609 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.808 3.605 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.217 1.722 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.814 2.318 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.667 1.308 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.082 0.600 5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.149 -1.152 6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.435 -0.337 8.252 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.562 0.155 9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.691 -0.568 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.456 -0.510 5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.828 0.223 8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.661 -0.064 7.418 1.00 0.00 H new ATOM 1038 N ARG A 64 -5.237 4.537 7.837 1.00 0.00 N ATOM 1039 CA ARG A 64 -4.741 5.586 8.720 1.00 0.00 C ATOM 1040 C ARG A 64 -4.730 6.936 8.008 1.00 0.00 C ATOM 1041 O ARG A 64 -5.076 7.960 8.596 1.00 0.00 O ATOM 1042 CB ARG A 64 -3.333 5.245 9.212 1.00 0.00 C ATOM 1043 CG ARG A 64 -2.232 5.699 8.268 1.00 0.00 C ATOM 1044 CD ARG A 64 -0.858 5.541 8.899 1.00 0.00 C ATOM 1045 NE ARG A 64 -0.489 6.701 9.707 1.00 0.00 N ATOM 1046 CZ ARG A 64 -0.298 7.916 9.204 1.00 0.00 C ATOM 1047 NH1 ARG A 64 -0.439 8.128 7.903 1.00 0.00 N ATOM 1048 NH2 ARG A 64 0.035 8.920 10.004 1.00 0.00 N ATOM 0 H ARG A 64 -4.528 3.867 7.539 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.412 5.652 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.177 5.706 10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.258 4.167 9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.279 5.119 7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.391 6.743 7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.846 4.647 9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.114 5.394 8.116 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.372 6.571 10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.695 7.357 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.292 9.062 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.145 8.759 11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.182 9.853 9.618 1.00 0.00 H new ATOM 1062 N GLU A 65 -4.330 6.927 6.741 1.00 0.00 N ATOM 1063 CA GLU A 65 -4.273 8.151 5.950 1.00 0.00 C ATOM 1064 C GLU A 65 -5.675 8.674 5.655 1.00 0.00 C ATOM 1065 O GLU A 65 -6.010 9.807 5.998 1.00 0.00 O ATOM 1066 CB GLU A 65 -3.522 7.903 4.639 1.00 0.00 C ATOM 1067 CG GLU A 65 -2.023 8.125 4.746 1.00 0.00 C ATOM 1068 CD GLU A 65 -1.398 8.524 3.423 1.00 0.00 C ATOM 1069 OE1 GLU A 65 -1.901 8.081 2.370 1.00 0.00 O ATOM 1070 OE2 GLU A 65 -0.403 9.280 3.442 1.00 0.00 O ATOM 0 H GLU A 65 -4.041 6.087 6.240 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.738 8.903 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.707 6.880 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.924 8.561 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.826 8.901 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.549 7.212 5.107 1.00 0.00 H new ATOM 1077 N GLU A 66 -6.489 7.840 5.016 1.00 0.00 N ATOM 1078 CA GLU A 66 -7.855 8.219 4.673 1.00 0.00 C ATOM 1079 C GLU A 66 -8.471 9.085 5.770 1.00 0.00 C ATOM 1080 O GLU A 66 -9.173 10.056 5.488 1.00 0.00 O ATOM 1081 CB GLU A 66 -8.713 6.972 4.450 1.00 0.00 C ATOM 1082 CG GLU A 66 -9.838 7.178 3.449 1.00 0.00 C ATOM 1083 CD GLU A 66 -10.629 8.445 3.714 1.00 0.00 C ATOM 1084 OE1 GLU A 66 -11.448 8.449 4.656 1.00 0.00 O ATOM 1085 OE2 GLU A 66 -10.428 9.433 2.977 1.00 0.00 O ATOM 0 H GLU A 66 -6.227 6.898 4.725 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.824 8.799 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.075 6.159 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.139 6.659 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.421 7.218 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.510 6.321 3.482 1.00 0.00 H new ATOM 1092 N LYS A 67 -8.203 8.724 7.020 1.00 0.00 N ATOM 1093 CA LYS A 67 -8.729 9.466 8.159 1.00 0.00 C ATOM 1094 C LYS A 67 -8.154 10.878 8.202 1.00 0.00 C ATOM 1095 O LYS A 67 -8.895 11.861 8.248 1.00 0.00 O ATOM 1096 CB LYS A 67 -8.407 8.733 9.463 1.00 0.00 C ATOM 1097 CG LYS A 67 -8.874 9.469 10.707 1.00 0.00 C ATOM 1098 CD LYS A 67 -10.333 9.175 11.014 1.00 0.00 C ATOM 1099 CE LYS A 67 -10.496 7.833 11.711 1.00 0.00 C ATOM 1100 NZ LYS A 67 -10.339 7.952 13.187 1.00 0.00 N ATOM 0 H LYS A 67 -7.625 7.922 7.270 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.811 9.537 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.870 7.747 9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.330 8.578 9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.257 9.178 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.739 10.542 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.740 9.966 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.909 9.178 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.479 7.422 11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.759 7.130 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.457 7.016 13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.392 8.320 13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.059 8.603 13.561 1.00 0.00 H new ATOM 1114 N LEU A 68 -6.828 10.972 8.185 1.00 0.00 N ATOM 1115 CA LEU A 68 -6.153 12.264 8.219 1.00 0.00 C ATOM 1116 C LEU A 68 -6.876 13.281 7.343 1.00 0.00 C ATOM 1117 O LEU A 68 -7.091 14.423 7.747 1.00 0.00 O ATOM 1118 CB LEU A 68 -4.702 12.116 7.758 1.00 0.00 C ATOM 1119 CG LEU A 68 -3.840 11.139 8.557 1.00 0.00 C ATOM 1120 CD1 LEU A 68 -2.492 10.941 7.882 1.00 0.00 C ATOM 1121 CD2 LEU A 68 -3.656 11.633 9.985 1.00 0.00 C ATOM 0 H LEU A 68 -6.200 10.169 8.148 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.166 12.625 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.704 11.799 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.229 13.098 7.792 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.352 10.177 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.892 10.242 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.642 10.541 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.974 11.898 7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.040 10.925 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.167 12.607 9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.629 11.722 10.468 1.00 0.00 H new ATOM 1133 N ARG A 69 -7.251 12.856 6.140 1.00 0.00 N ATOM 1134 CA ARG A 69 -7.952 13.729 5.206 1.00 0.00 C ATOM 1135 C ARG A 69 -9.254 14.243 5.814 1.00 0.00 C ATOM 1136 O ARG A 69 -9.511 15.446 5.830 1.00 0.00 O ATOM 1137 CB ARG A 69 -8.244 12.985 3.901 1.00 0.00 C ATOM 1138 CG ARG A 69 -8.606 13.903 2.745 1.00 0.00 C ATOM 1139 CD ARG A 69 -8.501 13.184 1.409 1.00 0.00 C ATOM 1140 NE ARG A 69 -7.134 13.184 0.894 1.00 0.00 N ATOM 1141 CZ ARG A 69 -6.810 12.779 -0.328 1.00 0.00 C ATOM 1142 NH1 ARG A 69 -7.750 12.345 -1.157 1.00 0.00 N ATOM 1143 NH2 ARG A 69 -5.544 12.808 -0.725 1.00 0.00 N ATOM 0 H ARG A 69 -7.081 11.913 5.790 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.309 14.583 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.370 12.395 3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.062 12.284 4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.621 14.277 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.945 14.769 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.846 12.156 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.161 13.664 0.686 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.388 13.513 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.724 12.322 -0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.499 12.034 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.818 13.142 -0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.297 12.496 -1.664 1.00 0.00 H new ATOM 1157 N ASN A 70 -10.072 13.322 6.312 1.00 0.00 N ATOM 1158 CA ASN A 70 -11.348 13.682 6.920 1.00 0.00 C ATOM 1159 C ASN A 70 -11.144 14.652 8.079 1.00 0.00 C ATOM 1160 O ASN A 70 -11.855 15.650 8.197 1.00 0.00 O ATOM 1161 CB ASN A 70 -12.074 12.427 7.412 1.00 0.00 C ATOM 1162 CG ASN A 70 -13.525 12.698 7.759 1.00 0.00 C ATOM 1163 OD1 ASN A 70 -13.870 13.779 8.237 1.00 0.00 O ATOM 1164 ND2 ASN A 70 -14.384 11.714 7.521 1.00 0.00 N ATOM 0 H ASN A 70 -9.874 12.321 6.307 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.958 14.173 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.025 11.657 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.561 12.034 8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.374 11.838 7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.054 10.834 7.124 1.00 0.00 H new ATOM 1171 N GLN A 71 -10.169 14.352 8.930 1.00 0.00 N ATOM 1172 CA GLN A 71 -9.872 15.199 10.080 1.00 0.00 C ATOM 1173 C GLN A 71 -9.764 16.662 9.664 1.00 0.00 C ATOM 1174 O GLN A 71 -10.268 17.551 10.351 1.00 0.00 O ATOM 1175 CB GLN A 71 -8.572 14.748 10.749 1.00 0.00 C ATOM 1176 CG GLN A 71 -8.645 13.350 11.340 1.00 0.00 C ATOM 1177 CD GLN A 71 -9.931 13.105 12.103 1.00 0.00 C ATOM 1178 OE1 GLN A 71 -10.954 12.745 11.519 1.00 0.00 O ATOM 1179 NE2 GLN A 71 -9.888 13.299 13.416 1.00 0.00 N ATOM 0 H GLN A 71 -9.571 13.530 8.846 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.691 15.103 10.793 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.765 14.782 10.017 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.316 15.454 11.539 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.557 12.616 10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.797 13.197 12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.019 13.597 13.859 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.724 13.150 13.981 1.00 0.00 H new ATOM 1188 N ARG A 72 -9.102 16.905 8.538 1.00 0.00 N ATOM 1189 CA ARG A 72 -8.926 18.261 8.032 1.00 0.00 C ATOM 1190 C ARG A 72 -9.706 18.464 6.737 1.00 0.00 C ATOM 1191 O ARG A 72 -9.400 19.360 5.949 1.00 0.00 O ATOM 1192 CB ARG A 72 -7.443 18.553 7.798 1.00 0.00 C ATOM 1193 CG ARG A 72 -6.579 18.346 9.032 1.00 0.00 C ATOM 1194 CD ARG A 72 -5.150 18.807 8.794 1.00 0.00 C ATOM 1195 NE ARG A 72 -4.256 18.396 9.875 1.00 0.00 N ATOM 1196 CZ ARG A 72 -3.749 17.173 9.982 1.00 0.00 C ATOM 1197 NH1 ARG A 72 -4.045 16.247 9.082 1.00 0.00 N ATOM 1198 NH2 ARG A 72 -2.943 16.876 10.994 1.00 0.00 N ATOM 0 H ARG A 72 -8.678 16.180 7.958 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.312 18.953 8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.077 17.911 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.334 19.582 7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.005 18.895 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.581 17.291 9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.789 18.398 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.130 19.893 8.700 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.008 19.085 10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.664 16.472 8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.654 15.309 9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.713 17.587 11.689 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.553 15.937 11.077 1.00 0.00 H new ATOM 1212 N ARG A 73 -10.715 17.625 6.521 1.00 0.00 N ATOM 1213 CA ARG A 73 -11.537 17.711 5.320 1.00 0.00 C ATOM 1214 C ARG A 73 -11.764 19.165 4.921 1.00 0.00 C ATOM 1215 O ARG A 73 -12.130 19.997 5.750 1.00 0.00 O ATOM 1216 CB ARG A 73 -12.881 17.017 5.547 1.00 0.00 C ATOM 1217 CG ARG A 73 -13.906 17.306 4.462 1.00 0.00 C ATOM 1218 CD ARG A 73 -13.648 16.476 3.216 1.00 0.00 C ATOM 1219 NE ARG A 73 -13.947 15.062 3.428 1.00 0.00 N ATOM 1220 CZ ARG A 73 -14.123 14.192 2.441 1.00 0.00 C ATOM 1221 NH1 ARG A 73 -14.031 14.588 1.179 1.00 0.00 N ATOM 1222 NH2 ARG A 73 -14.394 12.921 2.715 1.00 0.00 N ATOM 0 H ARG A 73 -10.982 16.878 7.162 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.008 17.208 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.719 15.941 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.285 17.331 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.906 17.095 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.878 18.365 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.256 16.856 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.605 16.585 2.917 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.025 14.725 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.824 15.564 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.167 13.917 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.467 12.613 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.529 12.253 1.956 1.00 0.00 H new ATOM 1236 N GLN A 74 -11.544 19.464 3.644 1.00 0.00 N ATOM 1237 CA GLN A 74 -11.723 20.819 3.135 1.00 0.00 C ATOM 1238 C GLN A 74 -12.985 21.454 3.710 1.00 0.00 C ATOM 1239 O GLN A 74 -12.920 22.470 4.400 1.00 0.00 O ATOM 1240 CB GLN A 74 -11.795 20.806 1.606 1.00 0.00 C ATOM 1241 CG GLN A 74 -10.433 20.777 0.933 1.00 0.00 C ATOM 1242 CD GLN A 74 -10.493 20.242 -0.484 1.00 0.00 C ATOM 1243 OE1 GLN A 74 -11.006 20.902 -1.388 1.00 0.00 O ATOM 1244 NE2 GLN A 74 -9.968 19.039 -0.686 1.00 0.00 N ATOM 0 H GLN A 74 -11.242 18.787 2.944 1.00 0.00 H new ATOM 0 HA GLN A 74 -10.865 21.414 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.368 19.936 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.339 21.688 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.017 21.785 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.754 20.160 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.553 18.527 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.980 18.627 -1.619 1.00 0.00 H new ATOM 1253 N SER A 75 -14.131 20.847 3.421 1.00 0.00 N ATOM 1254 CA SER A 75 -15.409 21.355 3.906 1.00 0.00 C ATOM 1255 C SER A 75 -15.285 21.856 5.342 1.00 0.00 C ATOM 1256 O SER A 75 -14.964 21.092 6.252 1.00 0.00 O ATOM 1257 CB SER A 75 -16.480 20.267 3.824 1.00 0.00 C ATOM 1258 OG SER A 75 -16.783 19.948 2.477 1.00 0.00 O ATOM 0 H SER A 75 -14.201 20.003 2.853 1.00 0.00 H new ATOM 0 HA SER A 75 -15.703 22.191 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 75 -16.135 19.373 4.344 1.00 0.00 H new ATOM 0 HB3 SER A 75 -17.383 20.603 4.333 1.00 0.00 H new ATOM 0 HG SER A 75 -17.469 19.249 2.453 1.00 0.00 H new ATOM 1264 N GLY A 76 -15.541 23.146 5.537 1.00 0.00 N ATOM 1265 CA GLY A 76 -15.452 23.727 6.864 1.00 0.00 C ATOM 1266 C GLY A 76 -15.119 25.205 6.828 1.00 0.00 C ATOM 1267 O GLY A 76 -13.963 25.608 6.968 1.00 0.00 O ATOM 0 H GLY A 76 -15.808 23.799 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.399 23.584 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.690 23.200 7.438 1.00 0.00 H new ATOM 1271 N PRO A 77 -16.149 26.043 6.635 1.00 0.00 N ATOM 1272 CA PRO A 77 -15.985 27.499 6.575 1.00 0.00 C ATOM 1273 C PRO A 77 -15.624 28.097 7.930 1.00 0.00 C ATOM 1274 O PRO A 77 -16.503 28.424 8.729 1.00 0.00 O ATOM 1275 CB PRO A 77 -17.361 27.993 6.122 1.00 0.00 C ATOM 1276 CG PRO A 77 -18.308 26.930 6.561 1.00 0.00 C ATOM 1277 CD PRO A 77 -17.552 25.633 6.461 1.00 0.00 C ATOM 0 HA PRO A 77 -15.172 27.791 5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.606 28.953 6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.396 28.133 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -18.646 27.106 7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -19.196 26.914 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -17.863 24.926 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.712 25.147 5.498 1.00 0.00 H new ATOM 1285 N SER A 78 -14.327 28.239 8.184 1.00 0.00 N ATOM 1286 CA SER A 78 -13.851 28.796 9.444 1.00 0.00 C ATOM 1287 C SER A 78 -14.218 27.887 10.613 1.00 0.00 C ATOM 1288 O SER A 78 -14.549 28.358 11.702 1.00 0.00 O ATOM 1289 CB SER A 78 -14.440 30.191 9.665 1.00 0.00 C ATOM 1290 OG SER A 78 -13.558 31.003 10.420 1.00 0.00 O ATOM 0 H SER A 78 -13.587 27.976 7.533 1.00 0.00 H new ATOM 0 HA SER A 78 -12.765 28.872 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.639 30.662 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.396 30.108 10.183 1.00 0.00 H new ATOM 0 HG SER A 78 -13.957 31.889 10.546 1.00 0.00 H new ATOM 1296 N SER A 79 -14.158 26.579 10.379 1.00 0.00 N ATOM 1297 CA SER A 79 -14.487 25.602 11.411 1.00 0.00 C ATOM 1298 C SER A 79 -13.620 24.355 11.272 1.00 0.00 C ATOM 1299 O SER A 79 -13.269 23.948 10.166 1.00 0.00 O ATOM 1300 CB SER A 79 -15.966 25.221 11.328 1.00 0.00 C ATOM 1301 OG SER A 79 -16.360 24.461 12.456 1.00 0.00 O ATOM 0 H SER A 79 -13.885 26.172 9.485 1.00 0.00 H new ATOM 0 HA SER A 79 -14.290 26.054 12.383 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.574 26.123 11.263 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.147 24.648 10.418 1.00 0.00 H new ATOM 0 HG SER A 79 -17.310 24.231 12.380 1.00 0.00 H new ATOM 1307 N GLY A 80 -13.279 23.751 12.407 1.00 0.00 N ATOM 1308 CA GLY A 80 -12.456 22.556 12.393 1.00 0.00 C ATOM 1309 C GLY A 80 -11.767 22.309 13.721 1.00 0.00 C ATOM 1310 O GLY A 80 -12.222 22.783 14.760 1.00 0.00 O ATOM 0 H GLY A 80 -13.558 24.068 13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.076 21.695 12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.704 22.646 11.609 1.00 0.00 H new TER 1314 GLY A 80