USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 24 ASN : amide:sc=-0.000167 X(o=-0.00017,f=-0.31) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 30 SER OG : rot -114:sc= 0.149 USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0161 (180deg=-0.221) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.59 K(o=-0.59,f=-2.7) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0206 K(o=-0.021,f=-1.1) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.315 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 150:sc= 0.145 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 27:sc= 0.00139 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.237 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.655 11.145 -4.046 1.00 0.00 N ATOM 2 CA GLY A 1 1.485 11.847 -4.539 1.00 0.00 C ATOM 3 C GLY A 1 0.908 12.803 -3.514 1.00 0.00 C ATOM 4 O GLY A 1 0.886 14.015 -3.729 1.00 0.00 O ATOM 0 H1 GLY A 1 3.012 10.504 -4.783 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.394 11.833 -3.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.399 10.593 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.750 12.401 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.723 11.122 -4.824 1.00 0.00 H new ATOM 8 N SER A 2 0.438 12.258 -2.397 1.00 0.00 N ATOM 9 CA SER A 2 -0.148 13.071 -1.337 1.00 0.00 C ATOM 10 C SER A 2 0.686 12.983 -0.062 1.00 0.00 C ATOM 11 O SER A 2 0.978 13.996 0.573 1.00 0.00 O ATOM 12 CB SER A 2 -1.582 12.622 -1.054 1.00 0.00 C ATOM 13 OG SER A 2 -2.348 12.578 -2.246 1.00 0.00 O ATOM 0 H SER A 2 0.451 11.257 -2.202 1.00 0.00 H new ATOM 0 HA SER A 2 -0.160 14.108 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.572 11.637 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.047 13.306 -0.344 1.00 0.00 H new ATOM 0 HG SER A 2 -3.260 12.286 -2.038 1.00 0.00 H new ATOM 19 N SER A 3 1.065 11.763 0.307 1.00 0.00 N ATOM 20 CA SER A 3 1.861 11.541 1.508 1.00 0.00 C ATOM 21 C SER A 3 3.250 11.022 1.150 1.00 0.00 C ATOM 22 O SER A 3 3.446 10.410 0.101 1.00 0.00 O ATOM 23 CB SER A 3 1.157 10.549 2.436 1.00 0.00 C ATOM 24 OG SER A 3 1.068 9.267 1.838 1.00 0.00 O ATOM 0 H SER A 3 0.833 10.914 -0.209 1.00 0.00 H new ATOM 0 HA SER A 3 1.970 12.495 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.701 10.478 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.157 10.914 2.673 1.00 0.00 H new ATOM 0 HG SER A 3 0.616 8.651 2.451 1.00 0.00 H new ATOM 30 N GLY A 4 4.214 11.271 2.032 1.00 0.00 N ATOM 31 CA GLY A 4 5.573 10.823 1.792 1.00 0.00 C ATOM 32 C GLY A 4 6.572 11.474 2.729 1.00 0.00 C ATOM 33 O GLY A 4 7.033 12.588 2.479 1.00 0.00 O ATOM 0 H GLY A 4 4.077 11.775 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.622 9.740 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.849 11.045 0.761 1.00 0.00 H new ATOM 37 N SER A 5 6.906 10.778 3.811 1.00 0.00 N ATOM 38 CA SER A 5 7.852 11.298 4.791 1.00 0.00 C ATOM 39 C SER A 5 7.376 12.635 5.350 1.00 0.00 C ATOM 40 O SER A 5 8.182 13.505 5.681 1.00 0.00 O ATOM 41 CB SER A 5 9.236 11.460 4.160 1.00 0.00 C ATOM 42 OG SER A 5 9.897 10.211 4.053 1.00 0.00 O ATOM 0 H SER A 5 6.536 9.853 4.031 1.00 0.00 H new ATOM 0 HA SER A 5 7.916 10.583 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.138 11.909 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.836 12.142 4.762 1.00 0.00 H new ATOM 0 HG SER A 5 10.779 10.341 3.645 1.00 0.00 H new ATOM 48 N SER A 6 6.060 12.792 5.452 1.00 0.00 N ATOM 49 CA SER A 6 5.475 14.025 5.967 1.00 0.00 C ATOM 50 C SER A 6 4.858 13.799 7.344 1.00 0.00 C ATOM 51 O SER A 6 4.572 12.667 7.730 1.00 0.00 O ATOM 52 CB SER A 6 4.413 14.553 5.000 1.00 0.00 C ATOM 53 OG SER A 6 3.927 15.816 5.418 1.00 0.00 O ATOM 0 H SER A 6 5.379 12.081 5.185 1.00 0.00 H new ATOM 0 HA SER A 6 6.270 14.764 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.837 14.636 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.587 13.844 4.939 1.00 0.00 H new ATOM 0 HG SER A 6 3.251 16.133 4.783 1.00 0.00 H new ATOM 59 N GLY A 7 4.654 14.887 8.080 1.00 0.00 N ATOM 60 CA GLY A 7 4.073 14.788 9.406 1.00 0.00 C ATOM 61 C GLY A 7 5.093 14.408 10.460 1.00 0.00 C ATOM 62 O GLY A 7 5.931 13.533 10.237 1.00 0.00 O ATOM 0 H GLY A 7 4.881 15.836 7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.619 15.742 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.274 14.047 9.395 1.00 0.00 H new ATOM 66 N LEU A 8 5.026 15.067 11.612 1.00 0.00 N ATOM 67 CA LEU A 8 5.953 14.794 12.705 1.00 0.00 C ATOM 68 C LEU A 8 5.697 13.415 13.304 1.00 0.00 C ATOM 69 O LEU A 8 4.576 12.909 13.267 1.00 0.00 O ATOM 70 CB LEU A 8 5.823 15.866 13.789 1.00 0.00 C ATOM 71 CG LEU A 8 6.508 17.202 13.497 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.961 18.291 14.406 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.016 17.075 13.660 1.00 0.00 C ATOM 0 H LEU A 8 4.339 15.794 11.813 1.00 0.00 H new ATOM 0 HA LEU A 8 6.966 14.813 12.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.763 16.054 13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.231 15.467 14.718 1.00 0.00 H new ATOM 0 HG LEU A 8 6.297 17.479 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.460 19.235 14.184 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.889 18.399 14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.141 18.021 15.447 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.487 18.035 13.448 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.247 16.775 14.682 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.395 16.324 12.967 1.00 0.00 H new ATOM 85 N ARG A 9 6.745 12.813 13.858 1.00 0.00 N ATOM 86 CA ARG A 9 6.634 11.493 14.466 1.00 0.00 C ATOM 87 C ARG A 9 7.205 11.497 15.881 1.00 0.00 C ATOM 88 O ARG A 9 8.224 12.133 16.148 1.00 0.00 O ATOM 89 CB ARG A 9 7.362 10.452 13.614 1.00 0.00 C ATOM 90 CG ARG A 9 6.957 10.474 12.149 1.00 0.00 C ATOM 91 CD ARG A 9 5.570 9.886 11.946 1.00 0.00 C ATOM 92 NE ARG A 9 5.246 9.723 10.531 1.00 0.00 N ATOM 93 CZ ARG A 9 4.156 9.103 10.093 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.289 8.591 10.955 1.00 0.00 N ATOM 95 NH2 ARG A 9 3.931 8.995 8.789 1.00 0.00 N ATOM 0 H ARG A 9 7.680 13.219 13.898 1.00 0.00 H new ATOM 0 HA ARG A 9 5.577 11.233 14.519 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.436 10.621 13.688 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.167 9.460 14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.976 11.500 11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.682 9.911 11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.510 8.919 12.445 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.829 10.534 12.415 1.00 0.00 H new ATOM 0 HE ARG A 9 5.892 10.106 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.458 8.673 11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.453 8.115 10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.595 9.388 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.094 8.519 8.454 1.00 0.00 H new ATOM 109 N ARG A 10 6.541 10.782 16.784 1.00 0.00 N ATOM 110 CA ARG A 10 6.981 10.705 18.172 1.00 0.00 C ATOM 111 C ARG A 10 7.452 9.295 18.515 1.00 0.00 C ATOM 112 O ARG A 10 6.813 8.309 18.148 1.00 0.00 O ATOM 113 CB ARG A 10 5.847 11.118 19.112 1.00 0.00 C ATOM 114 CG ARG A 10 5.755 12.619 19.332 1.00 0.00 C ATOM 115 CD ARG A 10 4.423 13.010 19.955 1.00 0.00 C ATOM 116 NE ARG A 10 3.296 12.679 19.088 1.00 0.00 N ATOM 117 CZ ARG A 10 2.027 12.732 19.480 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.727 13.101 20.717 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.056 12.416 18.633 1.00 0.00 N ATOM 0 H ARG A 10 5.697 10.248 16.579 1.00 0.00 H new ATOM 0 HA ARG A 10 7.818 11.391 18.300 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.901 10.760 18.706 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.987 10.626 20.075 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.570 12.944 19.979 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.878 13.136 18.380 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.307 12.500 20.911 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.420 14.080 20.162 1.00 0.00 H new ATOM 0 HE ARG A 10 3.493 12.391 18.129 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.471 13.345 21.371 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.752 13.141 21.015 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.283 12.132 17.680 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.083 12.457 18.935 1.00 0.00 H new ATOM 133 N ALA A 11 8.576 9.207 19.219 1.00 0.00 N ATOM 134 CA ALA A 11 9.132 7.918 19.613 1.00 0.00 C ATOM 135 C ALA A 11 10.137 8.078 20.749 1.00 0.00 C ATOM 136 O ALA A 11 10.755 9.132 20.902 1.00 0.00 O ATOM 137 CB ALA A 11 9.785 7.239 18.419 1.00 0.00 C ATOM 0 H ALA A 11 9.119 10.013 19.528 1.00 0.00 H new ATOM 0 HA ALA A 11 8.315 7.291 19.972 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.196 6.278 18.727 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.041 7.082 17.638 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.587 7.870 18.035 1.00 0.00 H new ATOM 143 N THR A 12 10.296 7.025 21.545 1.00 0.00 N ATOM 144 CA THR A 12 11.224 7.049 22.668 1.00 0.00 C ATOM 145 C THR A 12 12.636 6.685 22.222 1.00 0.00 C ATOM 146 O THR A 12 12.827 6.072 21.172 1.00 0.00 O ATOM 147 CB THR A 12 10.784 6.080 23.781 1.00 0.00 C ATOM 148 OG1 THR A 12 10.262 4.877 23.206 1.00 0.00 O ATOM 149 CG2 THR A 12 9.730 6.721 24.672 1.00 0.00 C ATOM 0 H THR A 12 9.793 6.145 21.432 1.00 0.00 H new ATOM 0 HA THR A 12 11.220 8.066 23.060 1.00 0.00 H new ATOM 0 HB THR A 12 11.656 5.842 24.390 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.986 4.266 23.921 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.435 6.017 25.451 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.140 7.620 25.132 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.859 6.985 24.073 1.00 0.00 H new ATOM 157 N VAL A 13 13.622 7.067 23.027 1.00 0.00 N ATOM 158 CA VAL A 13 15.017 6.780 22.716 1.00 0.00 C ATOM 159 C VAL A 13 15.528 5.594 23.527 1.00 0.00 C ATOM 160 O VAL A 13 15.191 5.442 24.701 1.00 0.00 O ATOM 161 CB VAL A 13 15.916 8.000 22.989 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.360 7.694 22.619 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.409 9.216 22.229 1.00 0.00 C ATOM 0 H VAL A 13 13.481 7.576 23.900 1.00 0.00 H new ATOM 0 HA VAL A 13 15.061 6.537 21.654 1.00 0.00 H new ATOM 0 HB VAL A 13 15.879 8.225 24.055 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.980 8.568 22.819 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.717 6.852 23.212 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.419 7.442 21.560 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.056 10.069 22.434 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.414 9.005 21.160 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.393 9.447 22.548 1.00 0.00 H new ATOM 173 N GLU A 14 16.343 4.757 22.893 1.00 0.00 N ATOM 174 CA GLU A 14 16.901 3.585 23.556 1.00 0.00 C ATOM 175 C GLU A 14 17.892 3.994 24.642 1.00 0.00 C ATOM 176 O GLU A 14 17.789 3.554 25.788 1.00 0.00 O ATOM 177 CB GLU A 14 17.590 2.674 22.538 1.00 0.00 C ATOM 178 CG GLU A 14 17.842 1.267 23.052 1.00 0.00 C ATOM 179 CD GLU A 14 18.706 0.448 22.113 1.00 0.00 C ATOM 180 OE1 GLU A 14 19.438 1.052 21.302 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.650 -0.797 22.190 1.00 0.00 O ATOM 0 H GLU A 14 16.631 4.869 21.921 1.00 0.00 H new ATOM 0 HA GLU A 14 16.081 3.040 24.023 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.976 2.619 21.639 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.541 3.121 22.248 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.324 1.322 24.028 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.888 0.761 23.196 1.00 0.00 H new ATOM 188 N CYS A 15 18.850 4.836 24.273 1.00 0.00 N ATOM 189 CA CYS A 15 19.861 5.304 25.215 1.00 0.00 C ATOM 190 C CYS A 15 20.746 6.370 24.577 1.00 0.00 C ATOM 191 O CYS A 15 20.862 6.445 23.354 1.00 0.00 O ATOM 192 CB CYS A 15 20.719 4.133 25.697 1.00 0.00 C ATOM 193 SG CYS A 15 21.431 4.368 27.342 1.00 0.00 S ATOM 0 H CYS A 15 18.948 5.209 23.329 1.00 0.00 H new ATOM 0 HA CYS A 15 19.349 5.746 26.070 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.111 3.229 25.702 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.526 3.970 24.983 1.00 0.00 H new ATOM 0 HG CYS A 15 22.137 3.325 27.662 1.00 0.00 H new ATOM 199 N VAL A 16 21.366 7.195 25.415 1.00 0.00 N ATOM 200 CA VAL A 16 22.240 8.259 24.933 1.00 0.00 C ATOM 201 C VAL A 16 23.591 8.221 25.639 1.00 0.00 C ATOM 202 O VAL A 16 23.880 9.056 26.497 1.00 0.00 O ATOM 203 CB VAL A 16 21.603 9.646 25.141 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.467 10.729 24.515 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.195 9.676 24.566 1.00 0.00 C ATOM 0 H VAL A 16 21.280 7.147 26.430 1.00 0.00 H new ATOM 0 HA VAL A 16 22.386 8.091 23.866 1.00 0.00 H new ATOM 0 HB VAL A 16 21.538 9.841 26.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 22.001 11.702 24.672 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.454 10.720 24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.566 10.542 23.446 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.759 10.663 24.721 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.233 9.460 23.498 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.582 8.926 25.066 1.00 0.00 H new ATOM 215 N LYS A 17 24.417 7.248 25.271 1.00 0.00 N ATOM 216 CA LYS A 17 25.740 7.101 25.866 1.00 0.00 C ATOM 217 C LYS A 17 26.811 7.711 24.969 1.00 0.00 C ATOM 218 O LYS A 17 27.512 8.642 25.367 1.00 0.00 O ATOM 219 CB LYS A 17 26.049 5.622 26.114 1.00 0.00 C ATOM 220 CG LYS A 17 25.513 5.102 27.436 1.00 0.00 C ATOM 221 CD LYS A 17 25.800 3.620 27.611 1.00 0.00 C ATOM 222 CE LYS A 17 25.824 3.226 29.080 1.00 0.00 C ATOM 223 NZ LYS A 17 27.184 3.365 29.670 1.00 0.00 N ATOM 0 H LYS A 17 24.193 6.549 24.563 1.00 0.00 H new ATOM 0 HA LYS A 17 25.743 7.632 26.818 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.626 5.030 25.302 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.129 5.476 26.087 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.964 5.660 28.257 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.438 5.274 27.486 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.041 3.037 27.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 26.759 3.377 27.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 25.122 3.849 29.634 1.00 0.00 H new ATOM 0 HE3 LYS A 17 25.486 2.195 29.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 27.158 3.087 30.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.849 2.751 29.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.496 4.354 29.593 1.00 0.00 H new ATOM 237 N ASP A 18 26.932 7.183 23.756 1.00 0.00 N ATOM 238 CA ASP A 18 27.916 7.678 22.800 1.00 0.00 C ATOM 239 C ASP A 18 27.393 8.913 22.072 1.00 0.00 C ATOM 240 O ASP A 18 26.228 9.281 22.214 1.00 0.00 O ATOM 241 CB ASP A 18 28.271 6.587 21.790 1.00 0.00 C ATOM 242 CG ASP A 18 28.883 5.365 22.448 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.278 5.462 23.628 1.00 0.00 O ATOM 244 OD2 ASP A 18 28.966 4.312 21.782 1.00 0.00 O ATOM 0 H ASP A 18 26.361 6.412 23.411 1.00 0.00 H new ATOM 0 HA ASP A 18 28.814 7.957 23.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.373 6.292 21.247 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.969 6.989 21.056 1.00 0.00 H new ATOM 249 N GLN A 19 28.264 9.547 21.293 1.00 0.00 N ATOM 250 CA GLN A 19 27.890 10.741 20.545 1.00 0.00 C ATOM 251 C GLN A 19 26.628 10.496 19.723 1.00 0.00 C ATOM 252 O GLN A 19 25.837 11.410 19.493 1.00 0.00 O ATOM 253 CB GLN A 19 29.035 11.172 19.627 1.00 0.00 C ATOM 254 CG GLN A 19 28.941 12.622 19.177 1.00 0.00 C ATOM 255 CD GLN A 19 30.178 13.082 18.431 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.822 12.300 17.731 1.00 0.00 O ATOM 257 NE2 GLN A 19 30.516 14.358 18.577 1.00 0.00 N ATOM 0 H GLN A 19 29.232 9.254 21.164 1.00 0.00 H new ATOM 0 HA GLN A 19 27.687 11.538 21.260 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.982 11.022 20.146 1.00 0.00 H new ATOM 0 HB3 GLN A 19 29.047 10.527 18.748 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.068 12.744 18.536 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.788 13.260 20.048 1.00 0.00 H new ATOM 0 HE21 GLN A 19 29.953 14.970 19.167 1.00 0.00 H new ATOM 0 HE22 GLN A 19 31.339 14.726 18.099 1.00 0.00 H new ATOM 266 N PHE A 20 26.447 9.255 19.284 1.00 0.00 N ATOM 267 CA PHE A 20 25.282 8.889 18.486 1.00 0.00 C ATOM 268 C PHE A 20 24.414 7.874 19.225 1.00 0.00 C ATOM 269 O PHE A 20 24.911 6.872 19.736 1.00 0.00 O ATOM 270 CB PHE A 20 25.720 8.316 17.137 1.00 0.00 C ATOM 271 CG PHE A 20 26.597 7.102 17.258 1.00 0.00 C ATOM 272 CD1 PHE A 20 27.972 7.233 17.365 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.046 5.831 17.265 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.781 6.118 17.475 1.00 0.00 C ATOM 275 CE2 PHE A 20 26.850 4.712 17.375 1.00 0.00 C ATOM 276 CZ PHE A 20 28.219 4.856 17.482 1.00 0.00 C ATOM 0 H PHE A 20 27.092 8.486 19.467 1.00 0.00 H new ATOM 0 HA PHE A 20 24.692 9.790 18.315 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.835 8.058 16.556 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.254 9.086 16.580 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.417 8.217 17.362 1.00 0.00 H new ATOM 0 HD2 PHE A 20 24.976 5.713 17.184 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.852 6.233 17.555 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.408 3.727 17.377 1.00 0.00 H new ATOM 0 HZ PHE A 20 28.849 3.984 17.571 1.00 0.00 H new ATOM 286 N GLY A 21 23.113 8.144 19.277 1.00 0.00 N ATOM 287 CA GLY A 21 22.196 7.246 19.955 1.00 0.00 C ATOM 288 C GLY A 21 21.263 6.536 18.995 1.00 0.00 C ATOM 289 O GLY A 21 21.436 6.614 17.778 1.00 0.00 O ATOM 0 H GLY A 21 22.678 8.968 18.862 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.766 6.506 20.517 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.607 7.811 20.678 1.00 0.00 H new ATOM 293 N PHE A 22 20.272 5.839 19.542 1.00 0.00 N ATOM 294 CA PHE A 22 19.309 5.109 18.725 1.00 0.00 C ATOM 295 C PHE A 22 17.892 5.293 19.260 1.00 0.00 C ATOM 296 O PHE A 22 17.646 5.145 20.458 1.00 0.00 O ATOM 297 CB PHE A 22 19.664 3.621 18.688 1.00 0.00 C ATOM 298 CG PHE A 22 21.072 3.352 18.240 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.409 3.409 16.897 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.059 3.042 19.162 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.704 3.160 16.482 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.356 2.793 18.753 1.00 0.00 C ATOM 303 CZ PHE A 22 23.679 2.853 17.411 1.00 0.00 C ATOM 0 H PHE A 22 20.115 5.764 20.547 1.00 0.00 H new ATOM 0 HA PHE A 22 19.351 5.510 17.712 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.520 3.196 19.682 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.974 3.107 18.019 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.651 3.651 16.166 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.812 2.994 20.212 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.953 3.205 15.432 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.116 2.552 19.482 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.692 2.660 17.089 1.00 0.00 H new ATOM 313 N ILE A 23 16.965 5.616 18.365 1.00 0.00 N ATOM 314 CA ILE A 23 15.573 5.819 18.746 1.00 0.00 C ATOM 315 C ILE A 23 14.703 4.652 18.293 1.00 0.00 C ATOM 316 O ILE A 23 14.857 4.144 17.183 1.00 0.00 O ATOM 317 CB ILE A 23 15.012 7.124 18.153 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.965 8.288 18.431 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.632 7.415 18.724 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.515 9.597 17.821 1.00 0.00 C ATOM 0 H ILE A 23 17.153 5.743 17.370 1.00 0.00 H new ATOM 0 HA ILE A 23 15.550 5.885 19.834 1.00 0.00 H new ATOM 0 HB ILE A 23 14.920 7.004 17.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.066 8.415 19.509 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.953 8.038 18.045 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.249 8.341 18.295 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.957 6.595 18.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.701 7.518 19.807 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.238 10.377 18.059 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.441 9.488 16.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.540 9.871 18.225 1.00 0.00 H new ATOM 332 N ASN A 24 13.787 4.232 19.159 1.00 0.00 N ATOM 333 CA ASN A 24 12.890 3.125 18.847 1.00 0.00 C ATOM 334 C ASN A 24 11.785 3.572 17.895 1.00 0.00 C ATOM 335 O ASN A 24 10.658 3.834 18.315 1.00 0.00 O ATOM 336 CB ASN A 24 12.276 2.562 20.131 1.00 0.00 C ATOM 337 CG ASN A 24 13.271 1.755 20.942 1.00 0.00 C ATOM 338 OD1 ASN A 24 13.986 0.909 20.406 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.321 2.015 22.244 1.00 0.00 N ATOM 0 H ASN A 24 13.646 4.641 20.083 1.00 0.00 H new ATOM 0 HA ASN A 24 13.473 2.344 18.358 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.897 3.383 20.739 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.423 1.933 19.877 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.971 1.504 22.841 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.709 2.725 22.646 1.00 0.00 H new ATOM 346 N TYR A 25 12.116 3.655 16.611 1.00 0.00 N ATOM 347 CA TYR A 25 11.153 4.072 15.599 1.00 0.00 C ATOM 348 C TYR A 25 11.433 3.385 14.266 1.00 0.00 C ATOM 349 O TYR A 25 12.583 3.110 13.926 1.00 0.00 O ATOM 350 CB TYR A 25 11.194 5.591 15.421 1.00 0.00 C ATOM 351 CG TYR A 25 10.158 6.114 14.451 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.845 6.325 14.853 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.494 6.400 13.134 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.896 6.802 13.970 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.551 6.879 12.244 1.00 0.00 C ATOM 356 CZ TYR A 25 8.254 7.078 12.667 1.00 0.00 C ATOM 357 OH TYR A 25 7.311 7.556 11.785 1.00 0.00 O ATOM 0 H TYR A 25 13.044 3.439 16.247 1.00 0.00 H new ATOM 0 HA TYR A 25 10.159 3.779 15.937 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.045 6.066 16.390 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.185 5.881 15.073 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.562 6.112 15.873 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.509 6.246 12.800 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.879 6.958 14.298 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.829 7.096 11.223 1.00 0.00 H new ATOM 0 HH TYR A 25 7.726 7.700 10.909 1.00 0.00 H new ATOM 367 N GLU A 26 10.370 3.111 13.515 1.00 0.00 N ATOM 368 CA GLU A 26 10.501 2.455 12.219 1.00 0.00 C ATOM 369 C GLU A 26 10.501 3.480 11.088 1.00 0.00 C ATOM 370 O GLU A 26 9.553 4.251 10.933 1.00 0.00 O ATOM 371 CB GLU A 26 9.363 1.453 12.013 1.00 0.00 C ATOM 372 CG GLU A 26 9.724 0.306 11.083 1.00 0.00 C ATOM 373 CD GLU A 26 8.504 -0.355 10.472 1.00 0.00 C ATOM 374 OE1 GLU A 26 7.697 -0.932 11.231 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.355 -0.295 9.233 1.00 0.00 O ATOM 0 H GLU A 26 9.411 3.333 13.781 1.00 0.00 H new ATOM 0 HA GLU A 26 11.452 1.923 12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.068 1.046 12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.497 1.978 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.368 0.678 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.298 -0.438 11.636 1.00 0.00 H new ATOM 382 N VAL A 27 11.572 3.484 10.301 1.00 0.00 N ATOM 383 CA VAL A 27 11.697 4.413 9.184 1.00 0.00 C ATOM 384 C VAL A 27 11.829 3.668 7.861 1.00 0.00 C ATOM 385 O VAL A 27 12.506 4.128 6.943 1.00 0.00 O ATOM 386 CB VAL A 27 12.912 5.343 9.361 1.00 0.00 C ATOM 387 CG1 VAL A 27 12.653 6.356 10.466 1.00 0.00 C ATOM 388 CG2 VAL A 27 14.165 4.532 9.654 1.00 0.00 C ATOM 0 H VAL A 27 12.366 2.854 10.416 1.00 0.00 H new ATOM 0 HA VAL A 27 10.788 5.014 9.169 1.00 0.00 H new ATOM 0 HB VAL A 27 13.069 5.888 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.522 7.004 10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.781 6.958 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.470 5.832 11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 27 15.014 5.205 9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.022 3.959 10.570 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.359 3.850 8.826 1.00 0.00 H new ATOM 398 N GLY A 28 11.177 2.513 7.771 1.00 0.00 N ATOM 399 CA GLY A 28 11.235 1.721 6.556 1.00 0.00 C ATOM 400 C GLY A 28 12.443 0.806 6.516 1.00 0.00 C ATOM 401 O GLY A 28 13.572 1.265 6.345 1.00 0.00 O ATOM 0 H GLY A 28 10.610 2.112 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.328 1.123 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.259 2.387 5.693 1.00 0.00 H new ATOM 405 N ASP A 29 12.206 -0.491 6.677 1.00 0.00 N ATOM 406 CA ASP A 29 13.284 -1.473 6.660 1.00 0.00 C ATOM 407 C ASP A 29 14.274 -1.213 7.791 1.00 0.00 C ATOM 408 O ASP A 29 15.479 -1.407 7.631 1.00 0.00 O ATOM 409 CB ASP A 29 14.009 -1.442 5.313 1.00 0.00 C ATOM 410 CG ASP A 29 14.685 -2.760 4.990 1.00 0.00 C ATOM 411 OD1 ASP A 29 13.970 -3.732 4.669 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.931 -2.818 5.057 1.00 0.00 O ATOM 0 H ASP A 29 11.277 -0.887 6.821 1.00 0.00 H new ATOM 0 HA ASP A 29 12.846 -2.460 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.296 -1.200 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.755 -0.647 5.323 1.00 0.00 H new ATOM 417 N SER A 30 13.757 -0.772 8.933 1.00 0.00 N ATOM 418 CA SER A 30 14.596 -0.480 10.089 1.00 0.00 C ATOM 419 C SER A 30 13.773 -0.489 11.374 1.00 0.00 C ATOM 420 O SER A 30 12.556 -0.306 11.347 1.00 0.00 O ATOM 421 CB SER A 30 15.283 0.876 9.919 1.00 0.00 C ATOM 422 OG SER A 30 16.458 0.956 10.708 1.00 0.00 O ATOM 0 H SER A 30 12.761 -0.609 9.083 1.00 0.00 H new ATOM 0 HA SER A 30 15.357 -1.257 10.160 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.535 1.030 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.596 1.673 10.203 1.00 0.00 H new ATOM 0 HG SER A 30 16.338 1.633 11.406 1.00 0.00 H new ATOM 428 N LYS A 31 14.447 -0.702 12.499 1.00 0.00 N ATOM 429 CA LYS A 31 13.781 -0.733 13.796 1.00 0.00 C ATOM 430 C LYS A 31 14.271 0.404 14.687 1.00 0.00 C ATOM 431 O LYS A 31 13.556 0.858 15.581 1.00 0.00 O ATOM 432 CB LYS A 31 14.025 -2.077 14.486 1.00 0.00 C ATOM 433 CG LYS A 31 15.476 -2.306 14.875 1.00 0.00 C ATOM 434 CD LYS A 31 15.819 -3.786 14.902 1.00 0.00 C ATOM 435 CE LYS A 31 16.004 -4.341 13.498 1.00 0.00 C ATOM 436 NZ LYS A 31 17.242 -3.819 12.854 1.00 0.00 N ATOM 0 H LYS A 31 15.455 -0.856 12.539 1.00 0.00 H new ATOM 0 HA LYS A 31 12.711 -0.606 13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.404 -2.135 15.380 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.704 -2.880 13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.128 -1.793 14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.664 -1.870 15.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.732 -3.939 15.478 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.026 -4.335 15.410 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.048 -5.429 13.540 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.139 -4.080 12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.489 -4.418 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.080 -2.844 12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.022 -3.829 13.542 1.00 0.00 H new ATOM 450 N LYS A 32 15.493 0.861 14.436 1.00 0.00 N ATOM 451 CA LYS A 32 16.078 1.948 15.213 1.00 0.00 C ATOM 452 C LYS A 32 16.447 3.122 14.313 1.00 0.00 C ATOM 453 O LYS A 32 16.690 2.950 13.118 1.00 0.00 O ATOM 454 CB LYS A 32 17.318 1.456 15.962 1.00 0.00 C ATOM 455 CG LYS A 32 17.093 0.165 16.730 1.00 0.00 C ATOM 456 CD LYS A 32 17.995 0.076 17.950 1.00 0.00 C ATOM 457 CE LYS A 32 17.635 -1.115 18.824 1.00 0.00 C ATOM 458 NZ LYS A 32 18.283 -2.368 18.349 1.00 0.00 N ATOM 0 H LYS A 32 16.098 0.496 13.700 1.00 0.00 H new ATOM 0 HA LYS A 32 15.335 2.286 15.935 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.128 1.308 15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.643 2.230 16.657 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.050 0.104 17.042 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.280 -0.686 16.075 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.034 -0.007 17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.913 0.994 18.532 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.939 -0.916 19.852 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.553 -1.246 18.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.012 -3.156 18.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.974 -2.572 17.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.316 -2.252 18.366 1.00 0.00 H new ATOM 472 N LEU A 33 16.490 4.316 14.894 1.00 0.00 N ATOM 473 CA LEU A 33 16.832 5.520 14.145 1.00 0.00 C ATOM 474 C LEU A 33 18.262 5.960 14.443 1.00 0.00 C ATOM 475 O LEU A 33 18.870 5.513 15.416 1.00 0.00 O ATOM 476 CB LEU A 33 15.858 6.650 14.485 1.00 0.00 C ATOM 477 CG LEU A 33 15.861 7.848 13.534 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.590 7.397 12.107 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.834 8.881 13.974 1.00 0.00 C ATOM 0 H LEU A 33 16.292 4.476 15.882 1.00 0.00 H new ATOM 0 HA LEU A 33 16.756 5.290 13.082 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.850 6.237 14.514 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.085 7.008 15.489 1.00 0.00 H new ATOM 0 HG LEU A 33 16.848 8.311 13.566 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.596 8.263 11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.363 6.695 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.616 6.909 12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.850 9.726 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.841 8.431 13.972 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.074 9.227 14.979 1.00 0.00 H new ATOM 491 N PHE A 34 18.793 6.839 13.601 1.00 0.00 N ATOM 492 CA PHE A 34 20.151 7.341 13.775 1.00 0.00 C ATOM 493 C PHE A 34 20.162 8.864 13.857 1.00 0.00 C ATOM 494 O PHE A 34 19.785 9.551 12.907 1.00 0.00 O ATOM 495 CB PHE A 34 21.041 6.875 12.621 1.00 0.00 C ATOM 496 CG PHE A 34 22.406 7.501 12.626 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.237 7.373 13.727 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.858 8.218 11.529 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.495 7.947 13.735 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.114 8.794 11.531 1.00 0.00 C ATOM 501 CZ PHE A 34 24.933 8.660 12.636 1.00 0.00 C ATOM 0 H PHE A 34 18.304 7.219 12.791 1.00 0.00 H new ATOM 0 HA PHE A 34 20.542 6.942 14.711 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.147 5.791 12.669 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.548 7.105 11.677 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.898 6.818 14.589 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.222 8.328 10.663 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.134 7.838 14.599 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.455 9.349 10.669 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.914 9.112 12.640 1.00 0.00 H new ATOM 511 N PHE A 35 20.597 9.386 14.999 1.00 0.00 N ATOM 512 CA PHE A 35 20.656 10.828 15.207 1.00 0.00 C ATOM 513 C PHE A 35 21.962 11.226 15.887 1.00 0.00 C ATOM 514 O PHE A 35 22.581 10.424 16.587 1.00 0.00 O ATOM 515 CB PHE A 35 19.467 11.292 16.051 1.00 0.00 C ATOM 516 CG PHE A 35 19.571 10.905 17.498 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.349 9.596 17.896 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.890 11.849 18.461 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.444 9.236 19.227 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.987 11.494 19.793 1.00 0.00 C ATOM 521 CZ PHE A 35 19.763 10.187 20.177 1.00 0.00 C ATOM 0 H PHE A 35 20.914 8.832 15.795 1.00 0.00 H new ATOM 0 HA PHE A 35 20.612 11.313 14.232 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.382 12.376 15.979 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.551 10.872 15.636 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.099 8.849 17.157 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.065 12.873 18.167 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.269 8.212 19.524 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.238 12.239 20.534 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.837 9.909 21.218 1.00 0.00 H new ATOM 531 N HIS A 36 22.377 12.472 15.676 1.00 0.00 N ATOM 532 CA HIS A 36 23.610 12.978 16.268 1.00 0.00 C ATOM 533 C HIS A 36 23.310 14.011 17.350 1.00 0.00 C ATOM 534 O HIS A 36 22.208 14.558 17.412 1.00 0.00 O ATOM 535 CB HIS A 36 24.502 13.595 15.191 1.00 0.00 C ATOM 536 CG HIS A 36 25.960 13.577 15.537 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.664 14.710 15.887 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.845 12.555 15.588 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.920 14.385 16.136 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.056 13.083 15.963 1.00 0.00 N ATOM 0 H HIS A 36 21.877 13.149 15.100 1.00 0.00 H new ATOM 0 HA HIS A 36 24.134 12.139 16.727 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.353 13.057 14.255 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.191 14.625 15.019 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.638 11.517 15.374 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.703 15.068 16.431 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.920 12.555 16.088 1.00 0.00 H new ATOM 548 N VAL A 37 24.296 14.273 18.202 1.00 0.00 N ATOM 549 CA VAL A 37 24.137 15.240 19.281 1.00 0.00 C ATOM 550 C VAL A 37 23.905 16.643 18.732 1.00 0.00 C ATOM 551 O VAL A 37 23.318 17.495 19.399 1.00 0.00 O ATOM 552 CB VAL A 37 25.370 15.259 20.204 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.426 13.994 21.047 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.643 15.423 19.388 1.00 0.00 C ATOM 0 H VAL A 37 25.213 13.829 18.166 1.00 0.00 H new ATOM 0 HA VAL A 37 23.266 14.930 19.858 1.00 0.00 H new ATOM 0 HB VAL A 37 25.285 16.112 20.878 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.304 14.026 21.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.527 13.925 21.660 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.487 13.124 20.394 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.504 15.434 20.056 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.737 14.592 18.689 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.601 16.360 18.833 1.00 0.00 H new ATOM 564 N LYS A 38 24.371 16.878 17.509 1.00 0.00 N ATOM 565 CA LYS A 38 24.214 18.178 16.867 1.00 0.00 C ATOM 566 C LYS A 38 22.764 18.409 16.454 1.00 0.00 C ATOM 567 O LYS A 38 22.299 19.547 16.399 1.00 0.00 O ATOM 568 CB LYS A 38 25.126 18.278 15.643 1.00 0.00 C ATOM 569 CG LYS A 38 24.639 17.469 14.453 1.00 0.00 C ATOM 570 CD LYS A 38 25.796 16.996 13.589 1.00 0.00 C ATOM 571 CE LYS A 38 25.349 15.941 12.589 1.00 0.00 C ATOM 572 NZ LYS A 38 26.493 15.405 11.800 1.00 0.00 N ATOM 0 H LYS A 38 24.860 16.185 16.943 1.00 0.00 H new ATOM 0 HA LYS A 38 24.495 18.947 17.586 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.212 19.324 15.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 26.126 17.940 15.917 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.071 16.608 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.960 18.075 13.853 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.225 17.845 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.582 16.587 14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.858 15.124 13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.611 16.372 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.147 14.689 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.946 16.180 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.186 14.971 12.443 1.00 0.00 H new ATOM 586 N GLU A 39 22.055 17.322 16.166 1.00 0.00 N ATOM 587 CA GLU A 39 20.657 17.408 15.758 1.00 0.00 C ATOM 588 C GLU A 39 19.823 18.117 16.822 1.00 0.00 C ATOM 589 O GLU A 39 19.261 19.184 16.577 1.00 0.00 O ATOM 590 CB GLU A 39 20.092 16.010 15.499 1.00 0.00 C ATOM 591 CG GLU A 39 20.750 15.294 14.332 1.00 0.00 C ATOM 592 CD GLU A 39 19.949 14.099 13.853 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.825 13.897 14.359 1.00 0.00 O ATOM 594 OE2 GLU A 39 20.446 13.367 12.972 1.00 0.00 O ATOM 0 H GLU A 39 22.425 16.372 16.208 1.00 0.00 H new ATOM 0 HA GLU A 39 20.608 17.988 14.836 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.212 15.407 16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 39 19.022 16.089 15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.879 15.995 13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.746 14.964 14.628 1.00 0.00 H new ATOM 601 N VAL A 40 19.748 17.515 18.005 1.00 0.00 N ATOM 602 CA VAL A 40 18.984 18.087 19.106 1.00 0.00 C ATOM 603 C VAL A 40 19.387 19.535 19.361 1.00 0.00 C ATOM 604 O VAL A 40 20.554 19.898 19.219 1.00 0.00 O ATOM 605 CB VAL A 40 19.174 17.277 20.402 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.649 17.187 20.764 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.375 17.896 21.540 1.00 0.00 C ATOM 0 H VAL A 40 20.207 16.631 18.225 1.00 0.00 H new ATOM 0 HA VAL A 40 17.934 18.051 18.815 1.00 0.00 H new ATOM 0 HB VAL A 40 18.802 16.266 20.235 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.764 16.611 21.682 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.192 16.695 19.957 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.049 18.190 20.912 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.521 17.311 22.448 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.714 18.918 21.709 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.317 17.903 21.280 1.00 0.00 H new ATOM 617 N GLN A 41 18.413 20.357 19.739 1.00 0.00 N ATOM 618 CA GLN A 41 18.668 21.767 20.014 1.00 0.00 C ATOM 619 C GLN A 41 17.959 22.209 21.290 1.00 0.00 C ATOM 620 O GLN A 41 17.418 21.386 22.028 1.00 0.00 O ATOM 621 CB GLN A 41 18.208 22.628 18.836 1.00 0.00 C ATOM 622 CG GLN A 41 18.806 22.207 17.504 1.00 0.00 C ATOM 623 CD GLN A 41 18.680 23.281 16.441 1.00 0.00 C ATOM 624 OE1 GLN A 41 19.464 24.230 16.405 1.00 0.00 O ATOM 625 NE2 GLN A 41 17.690 23.137 15.568 1.00 0.00 N ATOM 0 H GLN A 41 17.441 20.072 19.862 1.00 0.00 H new ATOM 0 HA GLN A 41 19.741 21.897 20.153 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.121 22.583 18.767 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.473 23.667 19.031 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.859 21.962 17.644 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.311 21.300 17.158 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.064 22.335 15.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.556 23.829 14.830 1.00 0.00 H new ATOM 634 N ASP A 42 17.968 23.513 21.543 1.00 0.00 N ATOM 635 CA ASP A 42 17.325 24.065 22.730 1.00 0.00 C ATOM 636 C ASP A 42 17.996 23.551 24.000 1.00 0.00 C ATOM 637 O ASP A 42 17.386 23.520 25.068 1.00 0.00 O ATOM 638 CB ASP A 42 15.838 23.708 22.744 1.00 0.00 C ATOM 639 CG ASP A 42 14.973 24.852 23.235 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.221 26.004 22.820 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.047 24.596 24.034 1.00 0.00 O ATOM 0 H ASP A 42 18.413 24.207 20.943 1.00 0.00 H new ATOM 0 HA ASP A 42 17.430 25.149 22.698 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.526 23.426 21.739 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.682 22.838 23.382 1.00 0.00 H new ATOM 646 N GLY A 43 19.257 23.148 23.876 1.00 0.00 N ATOM 647 CA GLY A 43 19.990 22.640 25.020 1.00 0.00 C ATOM 648 C GLY A 43 19.241 21.540 25.746 1.00 0.00 C ATOM 649 O GLY A 43 18.692 21.762 26.826 1.00 0.00 O ATOM 0 H GLY A 43 19.784 23.164 23.003 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.956 22.260 24.689 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.189 23.458 25.712 1.00 0.00 H new ATOM 653 N ILE A 44 19.217 20.351 25.153 1.00 0.00 N ATOM 654 CA ILE A 44 18.529 19.214 25.750 1.00 0.00 C ATOM 655 C ILE A 44 19.444 17.997 25.828 1.00 0.00 C ATOM 656 O ILE A 44 20.312 17.805 24.976 1.00 0.00 O ATOM 657 CB ILE A 44 17.264 18.840 24.955 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.400 20.080 24.717 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.472 17.770 25.691 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.853 20.689 25.989 1.00 0.00 C ATOM 0 H ILE A 44 19.666 20.151 24.260 1.00 0.00 H new ATOM 0 HA ILE A 44 18.240 19.514 26.757 1.00 0.00 H new ATOM 0 HB ILE A 44 17.566 18.439 23.988 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.991 20.829 24.190 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.568 19.814 24.065 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.581 17.517 25.116 1.00 0.00 H new ATOM 0 HG22 ILE A 44 17.090 16.880 25.814 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.177 18.145 26.671 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.250 21.564 25.744 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.235 19.956 26.507 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.679 20.987 26.634 1.00 0.00 H new ATOM 672 N GLU A 45 19.243 17.177 26.855 1.00 0.00 N ATOM 673 CA GLU A 45 20.051 15.977 27.043 1.00 0.00 C ATOM 674 C GLU A 45 19.187 14.722 26.966 1.00 0.00 C ATOM 675 O GLU A 45 18.748 14.192 27.988 1.00 0.00 O ATOM 676 CB GLU A 45 20.775 16.029 28.390 1.00 0.00 C ATOM 677 CG GLU A 45 21.623 14.800 28.673 1.00 0.00 C ATOM 678 CD GLU A 45 22.405 14.916 29.967 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.801 16.046 30.322 1.00 0.00 O ATOM 680 OE2 GLU A 45 22.619 13.876 30.625 1.00 0.00 O ATOM 0 H GLU A 45 18.529 17.321 27.569 1.00 0.00 H new ATOM 0 HA GLU A 45 20.790 15.938 26.243 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.412 16.913 28.417 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.038 16.142 29.185 1.00 0.00 H new ATOM 0 HG2 GLU A 45 20.979 13.922 28.720 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.316 14.643 27.847 1.00 0.00 H new ATOM 687 N LEU A 46 18.945 14.251 25.747 1.00 0.00 N ATOM 688 CA LEU A 46 18.133 13.058 25.535 1.00 0.00 C ATOM 689 C LEU A 46 18.658 11.888 26.360 1.00 0.00 C ATOM 690 O LEU A 46 19.864 11.756 26.570 1.00 0.00 O ATOM 691 CB LEU A 46 18.118 12.685 24.051 1.00 0.00 C ATOM 692 CG LEU A 46 17.713 13.797 23.083 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.726 13.288 21.650 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.340 14.344 23.445 1.00 0.00 C ATOM 0 H LEU A 46 19.300 14.677 24.891 1.00 0.00 H new ATOM 0 HA LEU A 46 17.116 13.278 25.858 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.113 12.335 23.775 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.436 11.846 23.915 1.00 0.00 H new ATOM 0 HG LEU A 46 18.438 14.607 23.165 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.435 14.093 20.975 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.729 12.945 21.395 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.023 12.460 21.551 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.067 15.135 22.746 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.603 13.542 23.392 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.364 14.747 24.457 1.00 0.00 H new ATOM 706 N GLN A 47 17.745 11.040 26.823 1.00 0.00 N ATOM 707 CA GLN A 47 18.117 9.880 27.623 1.00 0.00 C ATOM 708 C GLN A 47 17.272 8.667 27.250 1.00 0.00 C ATOM 709 O GLN A 47 16.385 8.754 26.401 1.00 0.00 O ATOM 710 CB GLN A 47 17.957 10.189 29.113 1.00 0.00 C ATOM 711 CG GLN A 47 19.013 11.140 29.654 1.00 0.00 C ATOM 712 CD GLN A 47 20.303 10.432 30.020 1.00 0.00 C ATOM 713 OE1 GLN A 47 20.329 9.588 30.916 1.00 0.00 O ATOM 714 NE2 GLN A 47 21.382 10.773 29.326 1.00 0.00 N ATOM 0 H GLN A 47 16.743 11.135 26.658 1.00 0.00 H new ATOM 0 HA GLN A 47 19.162 9.649 27.417 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.970 10.621 29.282 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.998 9.256 29.675 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.223 11.907 28.908 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.621 11.650 30.534 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.314 11.478 28.592 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.279 10.330 29.527 1.00 0.00 H new ATOM 723 N ALA A 48 17.553 7.536 27.890 1.00 0.00 N ATOM 724 CA ALA A 48 16.817 6.306 27.626 1.00 0.00 C ATOM 725 C ALA A 48 15.384 6.403 28.137 1.00 0.00 C ATOM 726 O ALA A 48 15.152 6.604 29.329 1.00 0.00 O ATOM 727 CB ALA A 48 17.527 5.119 28.261 1.00 0.00 C ATOM 0 H ALA A 48 18.285 7.447 28.595 1.00 0.00 H new ATOM 0 HA ALA A 48 16.781 6.158 26.547 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.966 4.207 28.056 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.530 5.030 27.844 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.594 5.269 29.339 1.00 0.00 H new ATOM 733 N GLY A 49 14.424 6.259 27.228 1.00 0.00 N ATOM 734 CA GLY A 49 13.026 6.335 27.607 1.00 0.00 C ATOM 735 C GLY A 49 12.461 7.735 27.465 1.00 0.00 C ATOM 736 O GLY A 49 11.398 8.040 28.005 1.00 0.00 O ATOM 0 H GLY A 49 14.590 6.091 26.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.447 5.649 26.989 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.914 6.005 28.640 1.00 0.00 H new ATOM 740 N ASP A 50 13.175 8.588 26.739 1.00 0.00 N ATOM 741 CA ASP A 50 12.739 9.963 26.528 1.00 0.00 C ATOM 742 C ASP A 50 12.053 10.115 25.174 1.00 0.00 C ATOM 743 O ASP A 50 12.652 9.853 24.132 1.00 0.00 O ATOM 744 CB ASP A 50 13.931 10.918 26.620 1.00 0.00 C ATOM 745 CG ASP A 50 14.306 11.240 28.053 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.202 10.338 28.910 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.704 12.394 28.317 1.00 0.00 O ATOM 0 H ASP A 50 14.058 8.351 26.287 1.00 0.00 H new ATOM 0 HA ASP A 50 12.021 10.214 27.308 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.788 10.474 26.114 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.694 11.842 26.093 1.00 0.00 H new ATOM 752 N GLU A 51 10.793 10.538 25.199 1.00 0.00 N ATOM 753 CA GLU A 51 10.026 10.722 23.973 1.00 0.00 C ATOM 754 C GLU A 51 10.368 12.054 23.312 1.00 0.00 C ATOM 755 O GLU A 51 10.337 13.105 23.953 1.00 0.00 O ATOM 756 CB GLU A 51 8.526 10.658 24.269 1.00 0.00 C ATOM 757 CG GLU A 51 7.695 10.159 23.099 1.00 0.00 C ATOM 758 CD GLU A 51 6.217 10.078 23.425 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.858 9.358 24.380 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.418 10.736 22.725 1.00 0.00 O ATOM 0 H GLU A 51 10.282 10.759 26.054 1.00 0.00 H new ATOM 0 HA GLU A 51 10.289 9.917 23.287 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.361 10.005 25.126 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.178 11.651 24.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.839 10.823 22.247 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.052 9.174 22.799 1.00 0.00 H new ATOM 767 N VAL A 52 10.694 12.002 22.024 1.00 0.00 N ATOM 768 CA VAL A 52 11.042 13.204 21.275 1.00 0.00 C ATOM 769 C VAL A 52 10.332 13.234 19.926 1.00 0.00 C ATOM 770 O VAL A 52 9.990 12.191 19.370 1.00 0.00 O ATOM 771 CB VAL A 52 12.562 13.302 21.045 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.290 13.501 22.366 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.073 12.062 20.326 1.00 0.00 C ATOM 0 H VAL A 52 10.724 11.141 21.478 1.00 0.00 H new ATOM 0 HA VAL A 52 10.717 14.055 21.873 1.00 0.00 H new ATOM 0 HB VAL A 52 12.762 14.168 20.414 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.363 13.568 22.184 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.944 14.421 22.837 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.086 12.657 23.025 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.149 12.148 20.172 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.863 11.179 20.929 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.574 11.969 19.361 1.00 0.00 H new ATOM 783 N GLU A 53 10.115 14.438 19.405 1.00 0.00 N ATOM 784 CA GLU A 53 9.445 14.604 18.120 1.00 0.00 C ATOM 785 C GLU A 53 10.423 15.094 17.056 1.00 0.00 C ATOM 786 O GLU A 53 10.986 16.183 17.170 1.00 0.00 O ATOM 787 CB GLU A 53 8.280 15.588 18.251 1.00 0.00 C ATOM 788 CG GLU A 53 7.217 15.419 17.178 1.00 0.00 C ATOM 789 CD GLU A 53 5.912 16.101 17.538 1.00 0.00 C ATOM 790 OE1 GLU A 53 5.827 17.337 17.383 1.00 0.00 O ATOM 791 OE2 GLU A 53 4.975 15.399 17.974 1.00 0.00 O ATOM 0 H GLU A 53 10.393 15.312 19.852 1.00 0.00 H new ATOM 0 HA GLU A 53 9.058 13.633 17.812 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.819 15.463 19.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.668 16.606 18.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.588 15.826 16.237 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.035 14.357 17.016 1.00 0.00 H new ATOM 798 N PHE A 54 10.619 14.283 16.023 1.00 0.00 N ATOM 799 CA PHE A 54 11.529 14.632 14.938 1.00 0.00 C ATOM 800 C PHE A 54 10.836 14.510 13.585 1.00 0.00 C ATOM 801 O PHE A 54 9.837 13.803 13.449 1.00 0.00 O ATOM 802 CB PHE A 54 12.767 13.733 14.973 1.00 0.00 C ATOM 803 CG PHE A 54 12.444 12.276 15.143 1.00 0.00 C ATOM 804 CD1 PHE A 54 12.121 11.492 14.047 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.464 11.690 16.399 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.824 10.151 14.200 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.168 10.349 16.557 1.00 0.00 C ATOM 808 CZ PHE A 54 11.847 9.579 15.457 1.00 0.00 C ATOM 0 H PHE A 54 10.160 13.379 15.914 1.00 0.00 H new ATOM 0 HA PHE A 54 11.837 15.668 15.076 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.330 13.867 14.049 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.415 14.051 15.790 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.101 11.934 13.062 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.714 12.287 17.263 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.574 9.551 13.338 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.188 9.904 17.541 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.614 8.531 15.579 1.00 0.00 H new ATOM 818 N SER A 55 11.373 15.203 12.586 1.00 0.00 N ATOM 819 CA SER A 55 10.804 15.176 11.244 1.00 0.00 C ATOM 820 C SER A 55 11.525 14.156 10.369 1.00 0.00 C ATOM 821 O SER A 55 12.746 14.203 10.218 1.00 0.00 O ATOM 822 CB SER A 55 10.887 16.564 10.604 1.00 0.00 C ATOM 823 OG SER A 55 12.030 17.267 11.059 1.00 0.00 O ATOM 0 H SER A 55 12.202 15.790 12.681 1.00 0.00 H new ATOM 0 HA SER A 55 9.757 14.883 11.325 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.924 16.466 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.988 17.132 10.842 1.00 0.00 H new ATOM 0 HG SER A 55 12.061 18.150 10.635 1.00 0.00 H new ATOM 829 N VAL A 56 10.761 13.234 9.792 1.00 0.00 N ATOM 830 CA VAL A 56 11.325 12.202 8.930 1.00 0.00 C ATOM 831 C VAL A 56 11.755 12.782 7.588 1.00 0.00 C ATOM 832 O VAL A 56 10.919 13.087 6.736 1.00 0.00 O ATOM 833 CB VAL A 56 10.318 11.062 8.686 1.00 0.00 C ATOM 834 CG1 VAL A 56 10.963 9.944 7.881 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.779 10.537 10.008 1.00 0.00 C ATOM 0 H VAL A 56 9.749 13.181 9.906 1.00 0.00 H new ATOM 0 HA VAL A 56 12.198 11.801 9.445 1.00 0.00 H new ATOM 0 HB VAL A 56 9.481 11.456 8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.237 9.147 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.296 10.334 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.819 9.549 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.069 9.732 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.603 10.158 10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.278 11.344 10.543 1.00 0.00 H new ATOM 845 N ILE A 57 13.062 12.932 7.405 1.00 0.00 N ATOM 846 CA ILE A 57 13.603 13.474 6.165 1.00 0.00 C ATOM 847 C ILE A 57 14.361 12.406 5.382 1.00 0.00 C ATOM 848 O ILE A 57 15.280 11.774 5.904 1.00 0.00 O ATOM 849 CB ILE A 57 14.544 14.663 6.433 1.00 0.00 C ATOM 850 CG1 ILE A 57 13.876 15.669 7.372 1.00 0.00 C ATOM 851 CG2 ILE A 57 14.939 15.332 5.125 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.622 16.290 6.798 1.00 0.00 C ATOM 0 H ILE A 57 13.767 12.686 8.100 1.00 0.00 H new ATOM 0 HA ILE A 57 12.754 13.819 5.575 1.00 0.00 H new ATOM 0 HB ILE A 57 15.448 14.290 6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.629 15.170 8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.587 16.460 7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.604 16.170 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.451 14.611 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.045 15.695 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.202 16.993 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.866 16.817 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.893 15.508 6.586 1.00 0.00 H new ATOM 864 N LEU A 58 13.970 12.212 4.128 1.00 0.00 N ATOM 865 CA LEU A 58 14.614 11.221 3.271 1.00 0.00 C ATOM 866 C LEU A 58 15.639 11.879 2.353 1.00 0.00 C ATOM 867 O LEU A 58 15.373 12.921 1.755 1.00 0.00 O ATOM 868 CB LEU A 58 13.566 10.482 2.437 1.00 0.00 C ATOM 869 CG LEU A 58 14.106 9.598 1.312 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.908 8.438 1.883 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.967 9.085 0.444 1.00 0.00 C ATOM 0 H LEU A 58 13.211 12.727 3.681 1.00 0.00 H new ATOM 0 HA LEU A 58 15.132 10.506 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.970 9.861 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.892 11.219 2.001 1.00 0.00 H new ATOM 0 HG LEU A 58 14.768 10.199 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.284 7.820 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.747 8.825 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.268 7.837 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.370 8.458 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.279 8.500 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.435 9.929 0.006 1.00 0.00 H new ATOM 883 N ASN A 59 16.812 11.263 2.246 1.00 0.00 N ATOM 884 CA ASN A 59 17.877 11.788 1.400 1.00 0.00 C ATOM 885 C ASN A 59 17.937 11.038 0.073 1.00 0.00 C ATOM 886 O ASN A 59 17.912 9.808 0.042 1.00 0.00 O ATOM 887 CB ASN A 59 19.224 11.685 2.118 1.00 0.00 C ATOM 888 CG ASN A 59 19.529 12.913 2.954 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.750 13.289 3.831 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.666 13.544 2.686 1.00 0.00 N ATOM 0 H ASN A 59 17.049 10.400 2.735 1.00 0.00 H new ATOM 0 HA ASN A 59 17.661 12.837 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.225 10.803 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.015 11.544 1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.925 14.376 3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.281 13.196 1.950 1.00 0.00 H new ATOM 897 N GLN A 60 18.016 11.789 -1.022 1.00 0.00 N ATOM 898 CA GLN A 60 18.079 11.195 -2.352 1.00 0.00 C ATOM 899 C GLN A 60 19.514 10.827 -2.716 1.00 0.00 C ATOM 900 O GLN A 60 19.750 9.881 -3.468 1.00 0.00 O ATOM 901 CB GLN A 60 17.508 12.160 -3.392 1.00 0.00 C ATOM 902 CG GLN A 60 15.991 12.256 -3.364 1.00 0.00 C ATOM 903 CD GLN A 60 15.461 13.370 -4.245 1.00 0.00 C ATOM 904 OE1 GLN A 60 16.148 14.361 -4.494 1.00 0.00 O ATOM 905 NE2 GLN A 60 14.231 13.214 -4.721 1.00 0.00 N ATOM 0 H GLN A 60 18.038 12.809 -1.014 1.00 0.00 H new ATOM 0 HA GLN A 60 17.480 10.284 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.930 13.151 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.825 11.841 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.565 11.307 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.660 12.420 -2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.697 12.376 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.820 13.932 -5.318 1.00 0.00 H new ATOM 914 N ARG A 61 20.467 11.580 -2.179 1.00 0.00 N ATOM 915 CA ARG A 61 21.879 11.334 -2.449 1.00 0.00 C ATOM 916 C ARG A 61 22.344 10.045 -1.778 1.00 0.00 C ATOM 917 O ARG A 61 22.994 9.206 -2.403 1.00 0.00 O ATOM 918 CB ARG A 61 22.726 12.510 -1.959 1.00 0.00 C ATOM 919 CG ARG A 61 24.028 12.683 -2.725 1.00 0.00 C ATOM 920 CD ARG A 61 23.824 13.494 -3.995 1.00 0.00 C ATOM 921 NE ARG A 61 23.509 14.891 -3.708 1.00 0.00 N ATOM 922 CZ ARG A 61 22.942 15.712 -4.585 1.00 0.00 C ATOM 923 NH1 ARG A 61 22.629 15.277 -5.798 1.00 0.00 N ATOM 924 NH2 ARG A 61 22.687 16.970 -4.249 1.00 0.00 N ATOM 0 H ARG A 61 20.288 12.366 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 61 22.004 11.228 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.142 13.427 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.952 12.369 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.762 13.179 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.435 11.704 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 61 24.725 13.444 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.017 13.053 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 61 23.737 15.256 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.824 14.310 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 61 22.194 15.909 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 61 22.926 17.307 -3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 61 22.252 17.600 -4.923 1.00 0.00 H new ATOM 938 N THR A 62 22.007 9.893 -0.501 1.00 0.00 N ATOM 939 CA THR A 62 22.391 8.708 0.255 1.00 0.00 C ATOM 940 C THR A 62 21.331 7.618 0.144 1.00 0.00 C ATOM 941 O THR A 62 21.633 6.480 -0.212 1.00 0.00 O ATOM 942 CB THR A 62 22.616 9.039 1.743 1.00 0.00 C ATOM 943 OG1 THR A 62 21.530 9.828 2.239 1.00 0.00 O ATOM 944 CG2 THR A 62 23.925 9.789 1.938 1.00 0.00 C ATOM 0 H THR A 62 21.469 10.576 0.031 1.00 0.00 H new ATOM 0 HA THR A 62 23.326 8.348 -0.175 1.00 0.00 H new ATOM 0 HB THR A 62 22.666 8.102 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.752 10.166 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.062 10.012 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.753 9.173 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.899 10.720 1.372 1.00 0.00 H new ATOM 952 N GLY A 63 20.088 7.974 0.451 1.00 0.00 N ATOM 953 CA GLY A 63 19.002 7.014 0.378 1.00 0.00 C ATOM 954 C GLY A 63 18.635 6.450 1.736 1.00 0.00 C ATOM 955 O GLY A 63 18.031 5.381 1.831 1.00 0.00 O ATOM 0 H GLY A 63 19.813 8.910 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.127 7.493 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.287 6.198 -0.286 1.00 0.00 H new ATOM 959 N LYS A 64 19.000 7.169 2.792 1.00 0.00 N ATOM 960 CA LYS A 64 18.707 6.735 4.153 1.00 0.00 C ATOM 961 C LYS A 64 17.833 7.756 4.873 1.00 0.00 C ATOM 962 O LYS A 64 17.616 8.862 4.376 1.00 0.00 O ATOM 963 CB LYS A 64 20.006 6.519 4.933 1.00 0.00 C ATOM 964 CG LYS A 64 20.828 7.784 5.107 1.00 0.00 C ATOM 965 CD LYS A 64 22.285 7.466 5.397 1.00 0.00 C ATOM 966 CE LYS A 64 22.524 7.255 6.885 1.00 0.00 C ATOM 967 NZ LYS A 64 23.947 6.930 7.178 1.00 0.00 N ATOM 0 H LYS A 64 19.500 8.056 2.731 1.00 0.00 H new ATOM 0 HA LYS A 64 18.163 5.792 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.767 6.113 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.609 5.772 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.760 8.391 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.415 8.378 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.579 6.570 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.915 8.280 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.237 8.155 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.886 6.448 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.068 6.794 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.214 6.058 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.554 7.711 6.858 1.00 0.00 H new ATOM 981 N CYS A 65 17.335 7.380 6.046 1.00 0.00 N ATOM 982 CA CYS A 65 16.485 8.265 6.835 1.00 0.00 C ATOM 983 C CYS A 65 17.190 8.693 8.118 1.00 0.00 C ATOM 984 O CYS A 65 17.993 7.946 8.677 1.00 0.00 O ATOM 985 CB CYS A 65 15.165 7.571 7.171 1.00 0.00 C ATOM 986 SG CYS A 65 14.322 6.855 5.741 1.00 0.00 S ATOM 0 H CYS A 65 17.505 6.469 6.472 1.00 0.00 H new ATOM 0 HA CYS A 65 16.278 9.155 6.241 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.357 6.782 7.899 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.500 8.291 7.648 1.00 0.00 H new ATOM 0 HG CYS A 65 13.641 5.813 6.116 1.00 0.00 H new ATOM 992 N SER A 66 16.885 9.902 8.579 1.00 0.00 N ATOM 993 CA SER A 66 17.493 10.433 9.793 1.00 0.00 C ATOM 994 C SER A 66 16.534 11.376 10.514 1.00 0.00 C ATOM 995 O SER A 66 15.433 11.646 10.033 1.00 0.00 O ATOM 996 CB SER A 66 18.793 11.167 9.459 1.00 0.00 C ATOM 997 OG SER A 66 18.530 12.459 8.938 1.00 0.00 O ATOM 0 H SER A 66 16.220 10.532 8.130 1.00 0.00 H new ATOM 0 HA SER A 66 17.716 9.595 10.454 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.407 11.251 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.365 10.588 8.734 1.00 0.00 H new ATOM 0 HG SER A 66 19.377 12.908 8.734 1.00 0.00 H new ATOM 1003 N ALA A 67 16.960 11.874 11.670 1.00 0.00 N ATOM 1004 CA ALA A 67 16.141 12.788 12.456 1.00 0.00 C ATOM 1005 C ALA A 67 16.582 14.233 12.253 1.00 0.00 C ATOM 1006 O ALA A 67 17.739 14.499 11.923 1.00 0.00 O ATOM 1007 CB ALA A 67 16.205 12.417 13.931 1.00 0.00 C ATOM 0 H ALA A 67 17.868 11.660 12.083 1.00 0.00 H new ATOM 0 HA ALA A 67 15.110 12.699 12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.589 13.108 14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.835 11.401 14.067 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.237 12.477 14.277 1.00 0.00 H new ATOM 1013 N CYS A 68 15.654 15.163 12.451 1.00 0.00 N ATOM 1014 CA CYS A 68 15.948 16.583 12.287 1.00 0.00 C ATOM 1015 C CYS A 68 15.213 17.414 13.334 1.00 0.00 C ATOM 1016 O CYS A 68 14.025 17.210 13.581 1.00 0.00 O ATOM 1017 CB CYS A 68 15.556 17.047 10.884 1.00 0.00 C ATOM 1018 SG CYS A 68 16.873 16.879 9.656 1.00 0.00 S ATOM 0 H CYS A 68 14.693 14.960 12.725 1.00 0.00 H new ATOM 0 HA CYS A 68 17.020 16.725 12.423 1.00 0.00 H new ATOM 0 HB2 CYS A 68 14.690 16.475 10.552 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.249 18.092 10.931 1.00 0.00 H new ATOM 0 HG CYS A 68 17.670 15.912 10.004 1.00 0.00 H new ATOM 1024 N ASN A 69 15.930 18.349 13.949 1.00 0.00 N ATOM 1025 CA ASN A 69 15.347 19.210 14.972 1.00 0.00 C ATOM 1026 C ASN A 69 14.664 18.381 16.056 1.00 0.00 C ATOM 1027 O ASN A 69 13.489 18.585 16.360 1.00 0.00 O ATOM 1028 CB ASN A 69 14.340 20.175 14.342 1.00 0.00 C ATOM 1029 CG ASN A 69 14.866 20.810 13.070 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.840 21.562 13.095 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.221 20.510 11.948 1.00 0.00 N ATOM 0 H ASN A 69 16.915 18.530 13.757 1.00 0.00 H new ATOM 0 HA ASN A 69 16.152 19.784 15.431 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.416 19.640 14.122 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.092 20.957 15.060 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.529 20.908 11.061 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.418 19.882 11.974 1.00 0.00 H new ATOM 1038 N VAL A 70 15.410 17.445 16.635 1.00 0.00 N ATOM 1039 CA VAL A 70 14.878 16.586 17.686 1.00 0.00 C ATOM 1040 C VAL A 70 14.511 17.396 18.925 1.00 0.00 C ATOM 1041 O VAL A 70 15.360 18.061 19.518 1.00 0.00 O ATOM 1042 CB VAL A 70 15.887 15.493 18.082 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.302 14.589 19.156 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.303 14.685 16.862 1.00 0.00 C ATOM 0 H VAL A 70 16.384 17.263 16.394 1.00 0.00 H new ATOM 0 HA VAL A 70 13.981 16.114 17.285 1.00 0.00 H new ATOM 0 HB VAL A 70 16.775 15.974 18.491 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.030 13.823 19.423 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.059 15.182 20.038 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.397 14.114 18.778 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.016 13.917 17.160 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.425 14.213 16.421 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.766 15.345 16.129 1.00 0.00 H new ATOM 1054 N TRP A 71 13.241 17.336 19.309 1.00 0.00 N ATOM 1055 CA TRP A 71 12.762 18.064 20.479 1.00 0.00 C ATOM 1056 C TRP A 71 12.267 17.102 21.553 1.00 0.00 C ATOM 1057 O TRP A 71 11.645 16.084 21.249 1.00 0.00 O ATOM 1058 CB TRP A 71 11.640 19.026 20.082 1.00 0.00 C ATOM 1059 CG TRP A 71 10.901 19.593 21.256 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.866 19.012 21.931 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.139 20.854 21.890 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.447 19.836 22.947 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.212 20.972 22.944 1.00 0.00 C ATOM 1064 CE3 TRP A 71 12.047 21.894 21.672 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.168 22.088 23.775 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 12.001 23.002 22.497 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.068 23.092 23.539 1.00 0.00 C ATOM 0 H TRP A 71 12.525 16.792 18.828 1.00 0.00 H new ATOM 0 HA TRP A 71 13.595 18.637 20.887 1.00 0.00 H new ATOM 0 HB2 TRP A 71 12.062 19.844 19.498 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.935 18.503 19.436 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.440 18.047 21.700 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.689 19.634 23.599 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.771 21.833 20.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.449 22.159 24.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.696 23.813 22.336 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.059 23.970 24.168 1.00 0.00 H new ATOM 1078 N ARG A 72 12.546 17.432 22.810 1.00 0.00 N ATOM 1079 CA ARG A 72 12.129 16.596 23.930 1.00 0.00 C ATOM 1080 C ARG A 72 10.838 17.122 24.550 1.00 0.00 C ATOM 1081 O ARG A 72 10.771 18.268 24.993 1.00 0.00 O ATOM 1082 CB ARG A 72 13.230 16.540 24.990 1.00 0.00 C ATOM 1083 CG ARG A 72 13.159 15.309 25.878 1.00 0.00 C ATOM 1084 CD ARG A 72 13.736 15.583 27.258 1.00 0.00 C ATOM 1085 NE ARG A 72 12.969 16.594 27.981 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.413 17.215 29.068 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.612 16.929 29.556 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.656 18.124 29.671 1.00 0.00 N ATOM 0 H ARG A 72 13.059 18.272 23.078 1.00 0.00 H new ATOM 0 HA ARG A 72 11.947 15.590 23.552 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.201 16.565 24.495 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.168 17.432 25.614 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.122 14.987 25.973 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.705 14.490 25.410 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.751 14.658 27.835 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.770 15.914 27.159 1.00 0.00 H new ATOM 0 HE ARG A 72 12.042 16.836 27.632 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.196 16.230 29.097 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.950 17.408 30.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.732 18.346 29.300 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.998 18.600 30.506 1.00 0.00 H new ATOM 1102 N VAL A 73 9.813 16.276 24.576 1.00 0.00 N ATOM 1103 CA VAL A 73 8.523 16.654 25.142 1.00 0.00 C ATOM 1104 C VAL A 73 8.362 16.108 26.556 1.00 0.00 C ATOM 1105 O VAL A 73 7.673 16.700 27.387 1.00 0.00 O ATOM 1106 CB VAL A 73 7.358 16.148 24.272 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.357 16.846 22.921 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.439 14.638 24.101 1.00 0.00 C ATOM 0 H VAL A 73 9.851 15.324 24.212 1.00 0.00 H new ATOM 0 HA VAL A 73 8.498 17.743 25.171 1.00 0.00 H new ATOM 0 HB VAL A 73 6.421 16.385 24.776 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.526 16.475 22.320 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.248 17.921 23.067 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.296 16.643 22.406 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.608 14.297 23.484 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.381 14.376 23.619 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.386 14.158 25.078 1.00 0.00 H new ATOM 1118 N SER A 74 9.003 14.975 26.824 1.00 0.00 N ATOM 1119 CA SER A 74 8.928 14.346 28.138 1.00 0.00 C ATOM 1120 C SER A 74 9.452 15.285 29.220 1.00 0.00 C ATOM 1121 O SER A 74 9.952 16.371 28.927 1.00 0.00 O ATOM 1122 CB SER A 74 9.727 13.041 28.148 1.00 0.00 C ATOM 1123 OG SER A 74 11.078 13.273 28.505 1.00 0.00 O ATOM 0 H SER A 74 9.580 14.474 26.149 1.00 0.00 H new ATOM 0 HA SER A 74 7.882 14.125 28.349 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.277 12.341 28.852 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.683 12.576 27.163 1.00 0.00 H new ATOM 0 HG SER A 74 11.567 12.424 28.506 1.00 0.00 H new ATOM 1129 N GLY A 75 9.335 14.858 30.473 1.00 0.00 N ATOM 1130 CA GLY A 75 9.800 15.671 31.581 1.00 0.00 C ATOM 1131 C GLY A 75 11.289 15.522 31.825 1.00 0.00 C ATOM 1132 O GLY A 75 11.974 14.744 31.160 1.00 0.00 O ATOM 0 H GLY A 75 8.926 13.963 30.741 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.571 16.718 31.381 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.257 15.393 32.484 1.00 0.00 H new ATOM 1136 N PRO A 76 11.813 16.282 32.798 1.00 0.00 N ATOM 1137 CA PRO A 76 13.236 16.249 33.149 1.00 0.00 C ATOM 1138 C PRO A 76 13.637 14.940 33.820 1.00 0.00 C ATOM 1139 O PRO A 76 13.064 14.553 34.839 1.00 0.00 O ATOM 1140 CB PRO A 76 13.387 17.419 34.124 1.00 0.00 C ATOM 1141 CG PRO A 76 12.032 17.598 34.715 1.00 0.00 C ATOM 1142 CD PRO A 76 11.056 17.231 33.631 1.00 0.00 C ATOM 0 HA PRO A 76 13.875 16.324 32.269 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.128 17.200 34.893 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.717 18.322 33.610 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.901 16.962 35.590 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.882 18.627 35.043 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.154 16.776 34.040 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.742 18.105 33.060 1.00 0.00 H new ATOM 1150 N SER A 77 14.625 14.264 33.244 1.00 0.00 N ATOM 1151 CA SER A 77 15.101 12.996 33.786 1.00 0.00 C ATOM 1152 C SER A 77 16.555 12.749 33.393 1.00 0.00 C ATOM 1153 O SER A 77 16.917 12.844 32.220 1.00 0.00 O ATOM 1154 CB SER A 77 14.224 11.844 33.291 1.00 0.00 C ATOM 1155 OG SER A 77 12.850 12.133 33.478 1.00 0.00 O ATOM 0 H SER A 77 15.112 14.572 32.402 1.00 0.00 H new ATOM 0 HA SER A 77 15.040 13.048 34.873 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.420 11.662 32.234 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.483 10.930 33.826 1.00 0.00 H new ATOM 0 HG SER A 77 12.311 11.382 33.152 1.00 0.00 H new ATOM 1161 N SER A 78 17.383 12.432 34.383 1.00 0.00 N ATOM 1162 CA SER A 78 18.798 12.175 34.143 1.00 0.00 C ATOM 1163 C SER A 78 19.367 11.236 35.202 1.00 0.00 C ATOM 1164 O SER A 78 19.211 11.466 36.400 1.00 0.00 O ATOM 1165 CB SER A 78 19.583 13.488 34.135 1.00 0.00 C ATOM 1166 OG SER A 78 20.897 13.294 33.641 1.00 0.00 O ATOM 0 H SER A 78 17.098 12.347 35.359 1.00 0.00 H new ATOM 0 HA SER A 78 18.894 11.697 33.168 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.064 14.222 33.518 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.627 13.895 35.145 1.00 0.00 H new ATOM 0 HG SER A 78 21.377 14.148 33.644 1.00 0.00 H new ATOM 1172 N GLY A 79 20.028 10.174 34.750 1.00 0.00 N ATOM 1173 CA GLY A 79 20.610 9.215 35.670 1.00 0.00 C ATOM 1174 C GLY A 79 19.603 8.191 36.155 1.00 0.00 C ATOM 1175 O GLY A 79 19.031 7.449 35.357 1.00 0.00 O ATOM 0 H GLY A 79 20.171 9.961 33.763 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.437 8.702 35.180 1.00 0.00 H new ATOM 0 HA3 GLY A 79 21.026 9.745 36.527 1.00 0.00 H new TER 1179 GLY A 79