USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 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 51 TYR OH : rot -179:sc= 1.01 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -144:sc= 0.572 (180deg=0.083) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.54) USER MOD Set 3.1: A 33 CYS SG : rot -50:sc= -2.32 USER MOD Set 3.2: A 38 MET CE :methyl -122:sc= -4.12! (180deg=-4.31!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.0104 (180deg=-0.203) USER MOD Single : A 21 THR OG1 : rot -48:sc= 0.0838 USER MOD Single : A 23 CYS SG : rot 91:sc= 0.045 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0688 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ -106:sc= 0.409 (180deg=-0.102) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -28:sc= -1.45! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.776 F(o=-1.6!,f=-0.78) USER MOD Single : A 70 HIS : +bothHN:sc= 0.135 K(o=0.14,f=-5.4!) USER MOD Single : A 83 CYS SG : rot 68:sc= 0.697 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.610 7.808 5.007 1.00 0.00 N ATOM 2 CA SER A 16 -14.340 9.101 4.390 1.00 0.00 C ATOM 3 C SER A 16 -12.940 9.592 4.745 1.00 0.00 C ATOM 4 O SER A 16 -12.767 10.708 5.237 1.00 0.00 O ATOM 5 CB SER A 16 -15.384 10.128 4.832 1.00 0.00 C ATOM 6 OG SER A 16 -16.494 10.138 3.952 1.00 0.00 O ATOM 0 HA SER A 16 -14.397 8.979 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.720 9.898 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.932 11.120 4.864 1.00 0.00 H new ATOM 0 HG SER A 16 -17.148 10.801 4.257 1.00 0.00 H new ATOM 12 N GLU A 17 -11.942 8.751 4.493 1.00 0.00 N ATOM 13 CA GLU A 17 -10.556 9.099 4.786 1.00 0.00 C ATOM 14 C GLU A 17 -9.683 8.941 3.543 1.00 0.00 C ATOM 15 O GLU A 17 -10.192 8.853 2.426 1.00 0.00 O ATOM 16 CB GLU A 17 -10.015 8.226 5.924 1.00 0.00 C ATOM 17 CG GLU A 17 -11.037 7.931 7.010 1.00 0.00 C ATOM 18 CD GLU A 17 -11.501 9.181 7.732 1.00 0.00 C ATOM 19 OE1 GLU A 17 -11.281 10.291 7.201 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.085 9.052 8.829 1.00 0.00 O ATOM 0 H GLU A 17 -12.067 7.824 4.087 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.527 10.143 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.658 7.284 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.155 8.723 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.898 7.432 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.604 7.239 7.732 1.00 0.00 H new ATOM 27 N PHE A 18 -8.369 8.906 3.743 1.00 0.00 N ATOM 28 CA PHE A 18 -7.431 8.760 2.635 1.00 0.00 C ATOM 29 C PHE A 18 -7.422 7.326 2.115 1.00 0.00 C ATOM 30 O PHE A 18 -7.805 6.395 2.824 1.00 0.00 O ATOM 31 CB PHE A 18 -6.023 9.160 3.075 1.00 0.00 C ATOM 32 CG PHE A 18 -5.285 9.974 2.052 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.533 9.355 1.065 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.343 11.358 2.076 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.855 10.102 0.122 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.667 12.109 1.136 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.922 11.481 0.158 1.00 0.00 C ATOM 0 H PHE A 18 -7.930 8.977 4.661 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.755 9.419 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.089 9.729 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.450 8.259 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.477 8.277 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.924 11.855 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.273 9.609 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.721 13.187 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.392 12.067 -0.578 1.00 0.00 H new ATOM 47 N LYS A 19 -6.979 7.153 0.874 1.00 0.00 N ATOM 48 CA LYS A 19 -6.917 5.831 0.264 1.00 0.00 C ATOM 49 C LYS A 19 -5.978 5.824 -0.939 1.00 0.00 C ATOM 50 O LYS A 19 -6.185 6.556 -1.908 1.00 0.00 O ATOM 51 CB LYS A 19 -8.317 5.378 -0.160 1.00 0.00 C ATOM 52 CG LYS A 19 -8.790 4.121 0.550 1.00 0.00 C ATOM 53 CD LYS A 19 -9.941 3.460 -0.193 1.00 0.00 C ATOM 54 CE LYS A 19 -11.285 3.879 0.380 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.515 3.305 1.734 1.00 0.00 N ATOM 0 H LYS A 19 -6.658 7.911 0.272 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.525 5.135 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.025 6.184 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.323 5.202 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.961 3.418 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.105 4.371 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.895 3.726 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.840 2.376 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.333 4.967 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.082 3.557 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.534 3.302 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.153 2.330 1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.019 3.881 2.444 1.00 0.00 H new ATOM 69 N VAL A 20 -4.947 4.989 -0.870 1.00 0.00 N ATOM 70 CA VAL A 20 -3.980 4.880 -1.953 1.00 0.00 C ATOM 71 C VAL A 20 -3.612 3.423 -2.212 1.00 0.00 C ATOM 72 O VAL A 20 -3.487 2.629 -1.280 1.00 0.00 O ATOM 73 CB VAL A 20 -2.697 5.674 -1.648 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.988 7.167 -1.614 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.082 5.213 -0.335 1.00 0.00 C ATOM 0 H VAL A 20 -4.760 4.378 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.452 5.300 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.978 5.486 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.069 7.712 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.378 7.484 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.726 7.376 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.176 5.786 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.795 5.369 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.834 4.154 -0.401 1.00 0.00 H new ATOM 85 N THR A 21 -3.441 3.080 -3.483 1.00 0.00 N ATOM 86 CA THR A 21 -3.087 1.719 -3.866 1.00 0.00 C ATOM 87 C THR A 21 -1.594 1.607 -4.153 1.00 0.00 C ATOM 88 O THR A 21 -1.082 2.230 -5.083 1.00 0.00 O ATOM 89 CB THR A 21 -3.888 1.289 -5.096 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.265 1.573 -4.923 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.759 -0.186 -5.409 1.00 0.00 C ATOM 0 H THR A 21 -3.542 3.726 -4.266 1.00 0.00 H new ATOM 0 HA THR A 21 -3.330 1.058 -3.034 1.00 0.00 H new ATOM 0 HB THR A 21 -3.469 1.858 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.558 1.251 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.352 -0.424 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.713 -0.428 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.119 -0.770 -4.562 1.00 0.00 H new ATOM 99 N VAL A 22 -0.901 0.808 -3.350 1.00 0.00 N ATOM 100 CA VAL A 22 0.533 0.614 -3.520 1.00 0.00 C ATOM 101 C VAL A 22 0.822 -0.664 -4.297 1.00 0.00 C ATOM 102 O VAL A 22 0.629 -1.769 -3.788 1.00 0.00 O ATOM 103 CB VAL A 22 1.257 0.554 -2.163 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.764 0.548 -2.360 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.831 1.715 -1.277 1.00 0.00 C ATOM 0 H VAL A 22 -1.309 0.285 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 22 0.906 1.471 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 22 0.977 -0.374 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.258 0.505 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.050 -0.322 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.066 1.456 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.354 1.655 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.078 2.657 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.244 1.666 -1.106 1.00 0.00 H new ATOM 115 N CYS A 23 1.281 -0.508 -5.535 1.00 0.00 N ATOM 116 CA CYS A 23 1.592 -1.654 -6.379 1.00 0.00 C ATOM 117 C CYS A 23 3.002 -2.167 -6.103 1.00 0.00 C ATOM 118 O CYS A 23 3.985 -1.601 -6.582 1.00 0.00 O ATOM 119 CB CYS A 23 1.455 -1.277 -7.856 1.00 0.00 C ATOM 120 SG CYS A 23 -0.220 -0.805 -8.342 1.00 0.00 S ATOM 0 H CYS A 23 1.445 0.398 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 23 0.883 -2.449 -6.145 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.132 -0.451 -8.074 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.775 -2.121 -8.467 1.00 0.00 H new ATOM 0 HG CYS A 23 -0.369 0.478 -8.195 1.00 0.00 H new ATOM 126 N PHE A 24 3.092 -3.246 -5.337 1.00 0.00 N ATOM 127 CA PHE A 24 4.381 -3.839 -5.003 1.00 0.00 C ATOM 128 C PHE A 24 4.796 -4.850 -6.063 1.00 0.00 C ATOM 129 O PHE A 24 4.295 -5.974 -6.091 1.00 0.00 O ATOM 130 CB PHE A 24 4.318 -4.516 -3.633 1.00 0.00 C ATOM 131 CG PHE A 24 4.450 -3.559 -2.483 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.671 -2.973 -2.190 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.354 -3.246 -1.697 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.795 -2.092 -1.134 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.471 -2.366 -0.639 1.00 0.00 C ATOM 136 CZ PHE A 24 4.695 -1.788 -0.356 1.00 0.00 C ATOM 0 H PHE A 24 2.288 -3.729 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 24 5.124 -3.042 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.372 -5.050 -3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.111 -5.261 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.535 -3.208 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.396 -3.695 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.752 -1.641 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.608 -2.130 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.791 -1.101 0.471 1.00 0.00 H new ATOM 146 N GLY A 25 5.713 -4.444 -6.936 1.00 0.00 N ATOM 147 CA GLY A 25 6.177 -5.329 -7.990 1.00 0.00 C ATOM 148 C GLY A 25 5.038 -5.879 -8.830 1.00 0.00 C ATOM 149 O GLY A 25 4.666 -5.291 -9.845 1.00 0.00 O ATOM 0 H GLY A 25 6.143 -3.519 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.871 -4.789 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.731 -6.157 -7.547 1.00 0.00 H new ATOM 153 N ARG A 26 4.481 -7.009 -8.401 1.00 0.00 N ATOM 154 CA ARG A 26 3.377 -7.638 -9.115 1.00 0.00 C ATOM 155 C ARG A 26 2.213 -7.923 -8.167 1.00 0.00 C ATOM 156 O ARG A 26 1.472 -8.889 -8.348 1.00 0.00 O ATOM 157 CB ARG A 26 3.845 -8.935 -9.781 1.00 0.00 C ATOM 158 CG ARG A 26 4.039 -8.812 -11.282 1.00 0.00 C ATOM 159 CD ARG A 26 4.060 -10.174 -11.956 1.00 0.00 C ATOM 160 NE ARG A 26 2.750 -10.821 -11.924 1.00 0.00 N ATOM 161 CZ ARG A 26 2.425 -11.875 -12.668 1.00 0.00 C ATOM 162 NH1 ARG A 26 3.310 -12.404 -13.505 1.00 0.00 N ATOM 163 NH2 ARG A 26 1.211 -12.402 -12.577 1.00 0.00 N ATOM 0 H ARG A 26 4.778 -7.507 -7.562 1.00 0.00 H new ATOM 0 HA ARG A 26 3.033 -6.950 -9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.785 -9.249 -9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.116 -9.720 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.236 -8.208 -11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.973 -8.289 -11.487 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.384 -10.061 -12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.792 -10.812 -11.461 1.00 0.00 H new ATOM 0 HE ARG A 26 2.043 -10.442 -11.294 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.245 -12.002 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.055 -13.212 -14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.527 -11.999 -11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.962 -13.210 -13.147 1.00 0.00 H new ATOM 177 N THR A 27 2.060 -7.072 -7.156 1.00 0.00 N ATOM 178 CA THR A 27 0.989 -7.227 -6.178 1.00 0.00 C ATOM 179 C THR A 27 0.583 -5.873 -5.602 1.00 0.00 C ATOM 180 O THR A 27 1.379 -5.208 -4.939 1.00 0.00 O ATOM 181 CB THR A 27 1.431 -8.161 -5.050 1.00 0.00 C ATOM 182 OG1 THR A 27 1.834 -9.416 -5.570 1.00 0.00 O ATOM 183 CG2 THR A 27 0.350 -8.415 -4.022 1.00 0.00 C ATOM 0 H THR A 27 2.665 -6.267 -6.993 1.00 0.00 H new ATOM 0 HA THR A 27 0.127 -7.663 -6.684 1.00 0.00 H new ATOM 0 HB THR A 27 2.260 -7.650 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.115 -10.000 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.731 -9.085 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.052 -7.471 -3.567 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.513 -8.873 -4.506 1.00 0.00 H new ATOM 191 N ARG A 28 -0.656 -5.468 -5.864 1.00 0.00 N ATOM 192 CA ARG A 28 -1.159 -4.189 -5.374 1.00 0.00 C ATOM 193 C ARG A 28 -1.985 -4.369 -4.104 1.00 0.00 C ATOM 194 O ARG A 28 -2.644 -5.393 -3.920 1.00 0.00 O ATOM 195 CB ARG A 28 -2.002 -3.503 -6.451 1.00 0.00 C ATOM 196 CG ARG A 28 -3.234 -4.297 -6.858 1.00 0.00 C ATOM 197 CD ARG A 28 -3.462 -4.243 -8.360 1.00 0.00 C ATOM 198 NE ARG A 28 -4.870 -4.040 -8.693 1.00 0.00 N ATOM 199 CZ ARG A 28 -5.298 -3.607 -9.876 1.00 0.00 C ATOM 200 NH1 ARG A 28 -4.430 -3.331 -10.843 1.00 0.00 N ATOM 201 NH2 ARG A 28 -6.596 -3.449 -10.096 1.00 0.00 N ATOM 0 H ARG A 28 -1.329 -6.005 -6.411 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.300 -3.562 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.315 -2.524 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.383 -3.333 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.120 -5.334 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.109 -3.902 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.868 -3.435 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.112 -5.171 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.566 -4.242 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.430 -3.451 -10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.763 -2.999 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.268 -3.659 -9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.923 -3.117 -11.003 1.00 0.00 H new ATOM 215 N VAL A 29 -1.940 -3.367 -3.233 1.00 0.00 N ATOM 216 CA VAL A 29 -2.683 -3.407 -1.980 1.00 0.00 C ATOM 217 C VAL A 29 -3.193 -2.021 -1.600 1.00 0.00 C ATOM 218 O VAL A 29 -2.451 -1.041 -1.652 1.00 0.00 O ATOM 219 CB VAL A 29 -1.816 -3.955 -0.831 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.654 -5.462 -0.956 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.461 -3.264 -0.807 1.00 0.00 C ATOM 0 H VAL A 29 -1.396 -2.516 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.531 -4.074 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.320 -3.745 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.039 -5.831 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.634 -5.938 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.173 -5.699 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.137 -3.664 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.053 -3.439 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.601 -2.193 -0.663 1.00 0.00 H new ATOM 231 N ASP A 30 -4.465 -1.947 -1.220 1.00 0.00 N ATOM 232 CA ASP A 30 -5.074 -0.680 -0.833 1.00 0.00 C ATOM 233 C ASP A 30 -4.615 -0.257 0.559 1.00 0.00 C ATOM 234 O ASP A 30 -4.555 -1.073 1.479 1.00 0.00 O ATOM 235 CB ASP A 30 -6.599 -0.792 -0.869 1.00 0.00 C ATOM 236 CG ASP A 30 -7.183 -0.318 -2.187 1.00 0.00 C ATOM 237 OD1 ASP A 30 -7.114 0.898 -2.464 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.712 -1.163 -2.939 1.00 0.00 O ATOM 0 H ASP A 30 -5.093 -2.749 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.756 0.080 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.889 -1.829 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.023 -0.205 -0.055 1.00 0.00 H new ATOM 243 N VAL A 31 -4.294 1.025 0.706 1.00 0.00 N ATOM 244 CA VAL A 31 -3.843 1.557 1.986 1.00 0.00 C ATOM 245 C VAL A 31 -4.670 2.775 2.396 1.00 0.00 C ATOM 246 O VAL A 31 -4.355 3.904 2.018 1.00 0.00 O ATOM 247 CB VAL A 31 -2.355 1.954 1.937 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.865 2.374 3.314 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.514 0.811 1.389 1.00 0.00 C ATOM 0 H VAL A 31 -4.338 1.714 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.975 0.765 2.723 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.250 2.806 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.812 2.650 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.446 3.228 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.985 1.545 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.466 1.111 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.625 -0.063 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.847 0.565 0.381 1.00 0.00 H new ATOM 259 N PRO A 32 -5.744 2.561 3.176 1.00 0.00 N ATOM 260 CA PRO A 32 -6.616 3.640 3.635 1.00 0.00 C ATOM 261 C PRO A 32 -6.074 4.334 4.880 1.00 0.00 C ATOM 262 O PRO A 32 -5.935 3.714 5.936 1.00 0.00 O ATOM 263 CB PRO A 32 -7.914 2.908 3.953 1.00 0.00 C ATOM 264 CG PRO A 32 -7.479 1.555 4.406 1.00 0.00 C ATOM 265 CD PRO A 32 -6.196 1.245 3.670 1.00 0.00 C ATOM 0 HA PRO A 32 -6.720 4.434 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.480 3.423 4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.559 2.845 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.320 1.540 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.242 0.809 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.457 0.790 4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.364 0.547 2.850 1.00 0.00 H new ATOM 273 N CYS A 33 -5.770 5.622 4.753 1.00 0.00 N ATOM 274 CA CYS A 33 -5.244 6.395 5.872 1.00 0.00 C ATOM 275 C CYS A 33 -6.376 6.984 6.706 1.00 0.00 C ATOM 276 O CYS A 33 -7.356 7.499 6.165 1.00 0.00 O ATOM 277 CB CYS A 33 -4.334 7.515 5.367 1.00 0.00 C ATOM 278 SG CYS A 33 -3.034 7.987 6.531 1.00 0.00 S ATOM 0 H CYS A 33 -5.879 6.151 3.888 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.663 5.721 6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.873 7.200 4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.943 8.391 5.143 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.557 8.200 7.702 1.00 0.00 H new ATOM 284 N GLY A 34 -6.235 6.905 8.025 1.00 0.00 N ATOM 285 CA GLY A 34 -7.251 7.435 8.915 1.00 0.00 C ATOM 286 C GLY A 34 -7.513 8.910 8.691 1.00 0.00 C ATOM 287 O GLY A 34 -8.656 9.321 8.496 1.00 0.00 O ATOM 0 H GLY A 34 -5.434 6.483 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.178 6.880 8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.941 7.278 9.948 1.00 0.00 H new ATOM 291 N ASP A 35 -6.452 9.711 8.721 1.00 0.00 N ATOM 292 CA ASP A 35 -6.579 11.151 8.521 1.00 0.00 C ATOM 293 C ASP A 35 -5.930 11.579 7.208 1.00 0.00 C ATOM 294 O ASP A 35 -6.371 12.535 6.571 1.00 0.00 O ATOM 295 CB ASP A 35 -5.942 11.907 9.688 1.00 0.00 C ATOM 296 CG ASP A 35 -6.524 13.295 9.865 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.520 13.431 10.608 1.00 0.00 O ATOM 298 OD2 ASP A 35 -5.985 14.246 9.261 1.00 0.00 O ATOM 0 H ASP A 35 -5.498 9.389 8.881 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.641 11.393 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.083 11.337 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.867 11.985 9.523 1.00 0.00 H new ATOM 303 N GLY A 36 -4.879 10.869 6.814 1.00 0.00 N ATOM 304 CA GLY A 36 -4.184 11.194 5.583 1.00 0.00 C ATOM 305 C GLY A 36 -3.057 12.186 5.797 1.00 0.00 C ATOM 306 O GLY A 36 -2.542 12.765 4.840 1.00 0.00 O ATOM 0 H GLY A 36 -4.496 10.074 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.782 10.281 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.895 11.605 4.866 1.00 0.00 H new ATOM 310 N ARG A 37 -2.672 12.382 7.054 1.00 0.00 N ATOM 311 CA ARG A 37 -1.599 13.310 7.390 1.00 0.00 C ATOM 312 C ARG A 37 -0.380 12.559 7.912 1.00 0.00 C ATOM 313 O ARG A 37 0.331 13.040 8.794 1.00 0.00 O ATOM 314 CB ARG A 37 -2.080 14.321 8.435 1.00 0.00 C ATOM 315 CG ARG A 37 -2.577 15.627 7.834 1.00 0.00 C ATOM 316 CD ARG A 37 -2.010 16.834 8.566 1.00 0.00 C ATOM 317 NE ARG A 37 -1.063 17.580 7.738 1.00 0.00 N ATOM 318 CZ ARG A 37 -0.624 18.801 8.034 1.00 0.00 C ATOM 319 NH1 ARG A 37 -1.040 19.417 9.133 1.00 0.00 N ATOM 320 NH2 ARG A 37 0.237 19.409 7.227 1.00 0.00 N ATOM 0 H ARG A 37 -3.088 11.910 7.857 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.314 13.845 6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.882 13.872 9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.263 14.535 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.296 15.674 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.666 15.655 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.825 17.492 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.513 16.504 9.478 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.719 17.139 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.701 18.955 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.699 20.353 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.561 18.940 6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.574 20.345 7.453 1.00 0.00 H new ATOM 334 N MET A 38 -0.143 11.374 7.359 1.00 0.00 N ATOM 335 CA MET A 38 0.990 10.553 7.768 1.00 0.00 C ATOM 336 C MET A 38 2.087 10.580 6.706 1.00 0.00 C ATOM 337 O MET A 38 1.806 10.525 5.508 1.00 0.00 O ATOM 338 CB MET A 38 0.535 9.113 8.035 1.00 0.00 C ATOM 339 CG MET A 38 0.329 8.282 6.777 1.00 0.00 C ATOM 340 SD MET A 38 -0.062 6.559 7.143 1.00 0.00 S ATOM 341 CE MET A 38 -0.570 5.976 5.527 1.00 0.00 C ATOM 0 H MET A 38 -0.721 10.961 6.627 1.00 0.00 H new ATOM 0 HA MET A 38 1.399 10.965 8.691 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.275 8.621 8.665 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.398 9.137 8.598 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.478 8.717 6.186 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.230 8.325 6.166 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.587 5.587 5.584 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.536 6.801 4.815 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.103 5.185 5.197 1.00 0.00 H new ATOM 351 N LYS A 39 3.334 10.669 7.151 1.00 0.00 N ATOM 352 CA LYS A 39 4.469 10.709 6.238 1.00 0.00 C ATOM 353 C LYS A 39 4.519 9.458 5.366 1.00 0.00 C ATOM 354 O LYS A 39 4.130 8.369 5.795 1.00 0.00 O ATOM 355 CB LYS A 39 5.776 10.851 7.021 1.00 0.00 C ATOM 356 CG LYS A 39 6.018 12.256 7.549 1.00 0.00 C ATOM 357 CD LYS A 39 7.496 12.509 7.798 1.00 0.00 C ATOM 358 CE LYS A 39 7.728 13.865 8.446 1.00 0.00 C ATOM 359 NZ LYS A 39 8.935 14.543 7.897 1.00 0.00 N ATOM 0 H LYS A 39 3.585 10.715 8.139 1.00 0.00 H new ATOM 0 HA LYS A 39 4.345 11.575 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.766 10.154 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.608 10.565 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.638 12.985 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.462 12.399 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.897 11.725 8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.039 12.458 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.854 14.497 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.841 13.738 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.059 15.464 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.773 13.952 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.817 14.687 6.874 1.00 0.00 H new ATOM 373 N VAL A 40 5.006 9.619 4.139 1.00 0.00 N ATOM 374 CA VAL A 40 5.112 8.504 3.207 1.00 0.00 C ATOM 375 C VAL A 40 5.851 7.333 3.843 1.00 0.00 C ATOM 376 O VAL A 40 5.472 6.177 3.659 1.00 0.00 O ATOM 377 CB VAL A 40 5.837 8.917 1.909 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.948 7.739 0.952 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.123 10.085 1.245 1.00 0.00 C ATOM 0 H VAL A 40 5.333 10.511 3.768 1.00 0.00 H new ATOM 0 HA VAL A 40 4.095 8.199 2.958 1.00 0.00 H new ATOM 0 HB VAL A 40 6.846 9.236 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.463 8.055 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.511 6.936 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.950 7.382 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.649 10.361 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.101 9.796 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.107 10.936 1.926 1.00 0.00 H new ATOM 389 N PHE A 41 6.904 7.639 4.599 1.00 0.00 N ATOM 390 CA PHE A 41 7.694 6.608 5.267 1.00 0.00 C ATOM 391 C PHE A 41 6.790 5.650 6.032 1.00 0.00 C ATOM 392 O PHE A 41 6.925 4.430 5.928 1.00 0.00 O ATOM 393 CB PHE A 41 8.706 7.247 6.221 1.00 0.00 C ATOM 394 CG PHE A 41 9.648 6.258 6.847 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.199 5.361 7.802 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.985 6.228 6.479 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.064 4.450 8.378 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.855 5.319 7.053 1.00 0.00 C ATOM 399 CZ PHE A 41 11.393 4.429 8.004 1.00 0.00 C ATOM 0 H PHE A 41 7.229 8.592 4.764 1.00 0.00 H new ATOM 0 HA PHE A 41 8.233 6.045 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.285 7.994 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.168 7.773 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.161 5.374 8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.350 6.922 5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.701 3.755 9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.894 5.305 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.070 3.718 8.454 1.00 0.00 H new ATOM 409 N SER A 42 5.854 6.213 6.784 1.00 0.00 N ATOM 410 CA SER A 42 4.912 5.409 7.549 1.00 0.00 C ATOM 411 C SER A 42 4.007 4.636 6.601 1.00 0.00 C ATOM 412 O SER A 42 3.613 3.502 6.882 1.00 0.00 O ATOM 413 CB SER A 42 4.076 6.298 8.472 1.00 0.00 C ATOM 414 OG SER A 42 3.444 5.532 9.482 1.00 0.00 O ATOM 0 H SER A 42 5.727 7.220 6.880 1.00 0.00 H new ATOM 0 HA SER A 42 5.470 4.703 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.714 7.054 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.323 6.828 7.888 1.00 0.00 H new ATOM 0 HG SER A 42 2.917 6.123 10.059 1.00 0.00 H new ATOM 420 N LEU A 43 3.688 5.256 5.468 1.00 0.00 N ATOM 421 CA LEU A 43 2.837 4.625 4.467 1.00 0.00 C ATOM 422 C LEU A 43 3.549 3.436 3.834 1.00 0.00 C ATOM 423 O LEU A 43 2.921 2.427 3.511 1.00 0.00 O ATOM 424 CB LEU A 43 2.446 5.637 3.388 1.00 0.00 C ATOM 425 CG LEU A 43 1.607 5.069 2.241 1.00 0.00 C ATOM 426 CD1 LEU A 43 0.123 5.169 2.563 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.922 5.795 0.942 1.00 0.00 C ATOM 0 H LEU A 43 4.006 6.193 5.222 1.00 0.00 H new ATOM 0 HA LEU A 43 1.933 4.268 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.890 6.449 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.355 6.072 2.972 1.00 0.00 H new ATOM 0 HG LEU A 43 1.860 4.016 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.457 4.760 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.091 4.604 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.147 6.214 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.317 5.379 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.697 6.856 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.978 5.672 0.703 1.00 0.00 H new ATOM 439 N ILE A 44 4.862 3.555 3.663 1.00 0.00 N ATOM 440 CA ILE A 44 5.652 2.485 3.073 1.00 0.00 C ATOM 441 C ILE A 44 5.657 1.255 3.972 1.00 0.00 C ATOM 442 O ILE A 44 5.377 0.146 3.522 1.00 0.00 O ATOM 443 CB ILE A 44 7.105 2.922 2.813 1.00 0.00 C ATOM 444 CG1 ILE A 44 7.127 4.246 2.043 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.854 1.835 2.054 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.453 4.555 1.381 1.00 0.00 C ATOM 0 H ILE A 44 5.399 4.382 3.925 1.00 0.00 H new ATOM 0 HA ILE A 44 5.185 2.240 2.119 1.00 0.00 H new ATOM 0 HB ILE A 44 7.607 3.075 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.349 4.223 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.878 5.056 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.880 2.156 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.858 0.917 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.361 1.652 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.385 5.508 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.234 4.613 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.697 3.767 0.669 1.00 0.00 H new ATOM 458 N GLN A 45 5.976 1.458 5.246 1.00 0.00 N ATOM 459 CA GLN A 45 6.015 0.360 6.202 1.00 0.00 C ATOM 460 C GLN A 45 4.648 -0.309 6.316 1.00 0.00 C ATOM 461 O GLN A 45 4.553 -1.519 6.516 1.00 0.00 O ATOM 462 CB GLN A 45 6.477 0.859 7.575 1.00 0.00 C ATOM 463 CG GLN A 45 5.537 1.870 8.211 1.00 0.00 C ATOM 464 CD GLN A 45 5.514 1.769 9.724 1.00 0.00 C ATOM 465 OE1 GLN A 45 5.461 0.674 10.284 1.00 0.00 O ATOM 466 NE2 GLN A 45 5.555 2.915 10.394 1.00 0.00 N ATOM 0 H GLN A 45 6.210 2.370 5.638 1.00 0.00 H new ATOM 0 HA GLN A 45 6.730 -0.379 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.583 0.005 8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.464 1.309 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.841 2.876 7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.529 1.718 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.598 3.800 9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.543 2.910 11.414 1.00 0.00 H new ATOM 475 N GLN A 46 3.591 0.487 6.182 1.00 0.00 N ATOM 476 CA GLN A 46 2.231 -0.032 6.264 1.00 0.00 C ATOM 477 C GLN A 46 1.902 -0.889 5.044 1.00 0.00 C ATOM 478 O GLN A 46 1.380 -1.997 5.174 1.00 0.00 O ATOM 479 CB GLN A 46 1.230 1.119 6.386 1.00 0.00 C ATOM 480 CG GLN A 46 0.357 1.036 7.628 1.00 0.00 C ATOM 481 CD GLN A 46 -0.797 0.066 7.465 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.723 0.310 6.692 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.747 -1.042 8.195 1.00 0.00 N ATOM 0 H GLN A 46 3.651 1.492 6.017 1.00 0.00 H new ATOM 0 HA GLN A 46 2.159 -0.659 7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.774 2.063 6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.591 1.129 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.968 0.729 8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.035 2.026 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.040 -1.204 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.496 -1.731 8.127 1.00 0.00 H new ATOM 492 N ALA A 47 2.210 -0.368 3.861 1.00 0.00 N ATOM 493 CA ALA A 47 1.948 -1.082 2.618 1.00 0.00 C ATOM 494 C ALA A 47 2.822 -2.327 2.502 1.00 0.00 C ATOM 495 O ALA A 47 2.342 -3.402 2.143 1.00 0.00 O ATOM 496 CB ALA A 47 2.168 -0.163 1.427 1.00 0.00 C ATOM 0 H ALA A 47 2.642 0.548 3.738 1.00 0.00 H new ATOM 0 HA ALA A 47 0.907 -1.405 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.969 -0.709 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.494 0.690 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.200 0.189 1.425 1.00 0.00 H new ATOM 502 N VAL A 48 4.108 -2.176 2.809 1.00 0.00 N ATOM 503 CA VAL A 48 5.046 -3.292 2.742 1.00 0.00 C ATOM 504 C VAL A 48 4.570 -4.454 3.606 1.00 0.00 C ATOM 505 O VAL A 48 4.541 -5.603 3.161 1.00 0.00 O ATOM 506 CB VAL A 48 6.460 -2.868 3.192 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.421 -4.047 3.140 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.973 -1.721 2.333 1.00 0.00 C ATOM 0 H VAL A 48 4.523 -1.293 3.106 1.00 0.00 H new ATOM 0 HA VAL A 48 5.091 -3.611 1.701 1.00 0.00 H new ATOM 0 HB VAL A 48 6.399 -2.525 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.411 -3.724 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.064 -4.837 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.477 -4.426 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.971 -1.436 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.014 -2.037 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.302 -0.867 2.427 1.00 0.00 H new ATOM 518 N THR A 49 4.189 -4.149 4.842 1.00 0.00 N ATOM 519 CA THR A 49 3.709 -5.168 5.767 1.00 0.00 C ATOM 520 C THR A 49 2.484 -5.877 5.199 1.00 0.00 C ATOM 521 O THR A 49 2.389 -7.104 5.237 1.00 0.00 O ATOM 522 CB THR A 49 3.366 -4.540 7.119 1.00 0.00 C ATOM 523 OG1 THR A 49 4.488 -3.862 7.656 1.00 0.00 O ATOM 524 CG2 THR A 49 2.902 -5.548 8.148 1.00 0.00 C ATOM 0 H THR A 49 4.203 -3.204 5.226 1.00 0.00 H new ATOM 0 HA THR A 49 4.503 -5.901 5.907 1.00 0.00 H new ATOM 0 HB THR A 49 2.547 -3.850 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.670 -3.059 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.676 -5.036 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.007 -6.053 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.689 -6.283 8.318 1.00 0.00 H new ATOM 532 N ARG A 50 1.547 -5.095 4.669 1.00 0.00 N ATOM 533 CA ARG A 50 0.328 -5.645 4.089 1.00 0.00 C ATOM 534 C ARG A 50 0.651 -6.542 2.898 1.00 0.00 C ATOM 535 O ARG A 50 -0.050 -7.521 2.639 1.00 0.00 O ATOM 536 CB ARG A 50 -0.608 -4.516 3.653 1.00 0.00 C ATOM 537 CG ARG A 50 -1.204 -3.736 4.815 1.00 0.00 C ATOM 538 CD ARG A 50 -2.724 -3.719 4.758 1.00 0.00 C ATOM 539 NE ARG A 50 -3.310 -4.885 5.414 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.248 -5.107 6.725 1.00 0.00 C ATOM 541 NH1 ARG A 50 -2.626 -4.248 7.522 1.00 0.00 N ATOM 542 NH2 ARG A 50 -3.811 -6.191 7.242 1.00 0.00 N ATOM 0 H ARG A 50 1.610 -4.078 4.630 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.169 -6.246 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.059 -3.829 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.417 -4.936 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.880 -4.180 5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.827 -2.713 4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.094 -2.811 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.047 -3.688 3.718 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.795 -5.569 4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.192 -3.412 7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.582 -4.424 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.292 -6.855 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.763 -6.361 8.247 1.00 0.00 H new ATOM 556 N TYR A 51 1.714 -6.201 2.177 1.00 0.00 N ATOM 557 CA TYR A 51 2.129 -6.977 1.013 1.00 0.00 C ATOM 558 C TYR A 51 2.539 -8.389 1.424 1.00 0.00 C ATOM 559 O TYR A 51 1.987 -9.372 0.931 1.00 0.00 O ATOM 560 CB TYR A 51 3.288 -6.271 0.296 1.00 0.00 C ATOM 561 CG TYR A 51 4.076 -7.167 -0.636 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.602 -7.477 -1.903 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.295 -7.705 -0.242 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.320 -8.296 -2.754 1.00 0.00 C ATOM 565 CE2 TYR A 51 6.019 -8.527 -1.086 1.00 0.00 C ATOM 566 CZ TYR A 51 5.528 -8.818 -2.340 1.00 0.00 C ATOM 567 OH TYR A 51 6.244 -9.635 -3.183 1.00 0.00 O ATOM 0 H TYR A 51 2.304 -5.393 2.378 1.00 0.00 H new ATOM 0 HA TYR A 51 1.285 -7.053 0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.891 -5.431 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.965 -5.857 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.656 -7.071 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.683 -7.477 0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.937 -8.526 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.964 -8.939 -0.764 1.00 0.00 H new ATOM 0 HH TYR A 51 7.064 -9.930 -2.734 1.00 0.00 H new ATOM 577 N ARG A 52 3.513 -8.481 2.324 1.00 0.00 N ATOM 578 CA ARG A 52 4.000 -9.771 2.800 1.00 0.00 C ATOM 579 C ARG A 52 2.860 -10.623 3.351 1.00 0.00 C ATOM 580 O ARG A 52 2.828 -11.837 3.152 1.00 0.00 O ATOM 581 CB ARG A 52 5.066 -9.568 3.879 1.00 0.00 C ATOM 582 CG ARG A 52 5.855 -10.827 4.201 1.00 0.00 C ATOM 583 CD ARG A 52 6.018 -11.018 5.700 1.00 0.00 C ATOM 584 NE ARG A 52 6.469 -9.796 6.363 1.00 0.00 N ATOM 585 CZ ARG A 52 7.730 -9.372 6.358 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.669 -10.068 5.730 1.00 0.00 N ATOM 587 NH2 ARG A 52 8.053 -8.248 6.985 1.00 0.00 N ATOM 0 H ARG A 52 3.981 -7.676 2.739 1.00 0.00 H new ATOM 0 HA ARG A 52 4.440 -10.296 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.757 -8.790 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.586 -9.208 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.348 -11.693 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.837 -10.771 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.068 -11.334 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.735 -11.818 5.888 1.00 0.00 H new ATOM 0 HE ARG A 52 5.776 -9.235 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.426 -10.933 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.634 -9.738 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.335 -7.710 7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.019 -7.922 6.982 1.00 0.00 H new ATOM 601 N LYS A 53 1.929 -9.980 4.047 1.00 0.00 N ATOM 602 CA LYS A 53 0.789 -10.682 4.627 1.00 0.00 C ATOM 603 C LYS A 53 -0.201 -11.114 3.550 1.00 0.00 C ATOM 604 O LYS A 53 -0.682 -12.247 3.556 1.00 0.00 O ATOM 605 CB LYS A 53 0.090 -9.795 5.660 1.00 0.00 C ATOM 606 CG LYS A 53 0.754 -9.815 7.028 1.00 0.00 C ATOM 607 CD LYS A 53 0.882 -11.232 7.569 1.00 0.00 C ATOM 608 CE LYS A 53 2.329 -11.702 7.572 1.00 0.00 C ATOM 609 NZ LYS A 53 2.464 -13.092 7.055 1.00 0.00 N ATOM 0 H LYS A 53 1.941 -8.975 4.223 1.00 0.00 H new ATOM 0 HA LYS A 53 1.163 -11.579 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.068 -8.770 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.946 -10.119 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.742 -9.360 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.172 -9.210 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.484 -11.272 8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.280 -11.909 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.931 -11.028 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.724 -11.652 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.652 -13.740 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.583 -13.373 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.252 -13.135 6.378 1.00 0.00 H new ATOM 623 N ALA A 54 -0.504 -10.205 2.628 1.00 0.00 N ATOM 624 CA ALA A 54 -1.439 -10.496 1.547 1.00 0.00 C ATOM 625 C ALA A 54 -0.916 -11.616 0.654 1.00 0.00 C ATOM 626 O ALA A 54 -1.639 -12.563 0.340 1.00 0.00 O ATOM 627 CB ALA A 54 -1.704 -9.244 0.726 1.00 0.00 C ATOM 0 H ALA A 54 -0.116 -9.262 2.608 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.376 -10.830 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.403 -9.477 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.131 -8.472 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.768 -8.884 0.299 1.00 0.00 H new ATOM 633 N VAL A 55 0.344 -11.501 0.250 1.00 0.00 N ATOM 634 CA VAL A 55 0.971 -12.502 -0.607 1.00 0.00 C ATOM 635 C VAL A 55 1.093 -13.849 0.104 1.00 0.00 C ATOM 636 O VAL A 55 1.331 -14.874 -0.536 1.00 0.00 O ATOM 637 CB VAL A 55 2.369 -12.050 -1.061 1.00 0.00 C ATOM 638 CG1 VAL A 55 2.272 -10.815 -1.943 1.00 0.00 C ATOM 639 CG2 VAL A 55 3.258 -11.786 0.144 1.00 0.00 C ATOM 0 H VAL A 55 0.953 -10.723 0.503 1.00 0.00 H new ATOM 0 HA VAL A 55 0.327 -12.615 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 55 2.818 -12.851 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.271 -10.511 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.672 -11.043 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.803 -10.005 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.244 -11.467 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.814 -11.003 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.354 -12.699 0.732 1.00 0.00 H new ATOM 649 N ALA A 56 0.930 -13.842 1.428 1.00 0.00 N ATOM 650 CA ALA A 56 1.020 -15.061 2.229 1.00 0.00 C ATOM 651 C ALA A 56 2.472 -15.448 2.488 1.00 0.00 C ATOM 652 O ALA A 56 2.798 -16.628 2.609 1.00 0.00 O ATOM 653 CB ALA A 56 0.278 -16.209 1.557 1.00 0.00 C ATOM 0 H ALA A 56 0.734 -13.000 1.969 1.00 0.00 H new ATOM 0 HA ALA A 56 0.547 -14.858 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.360 -17.105 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.773 -15.944 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.715 -16.401 0.577 1.00 0.00 H new ATOM 659 N LYS A 57 3.343 -14.446 2.584 1.00 0.00 N ATOM 660 CA LYS A 57 4.758 -14.686 2.842 1.00 0.00 C ATOM 661 C LYS A 57 5.051 -14.600 4.337 1.00 0.00 C ATOM 662 O LYS A 57 4.132 -14.483 5.148 1.00 0.00 O ATOM 663 CB LYS A 57 5.620 -13.684 2.074 1.00 0.00 C ATOM 664 CG LYS A 57 6.069 -14.194 0.715 1.00 0.00 C ATOM 665 CD LYS A 57 6.419 -13.050 -0.218 1.00 0.00 C ATOM 666 CE LYS A 57 7.003 -13.555 -1.527 1.00 0.00 C ATOM 667 NZ LYS A 57 6.498 -12.783 -2.699 1.00 0.00 N ATOM 0 H LYS A 57 3.093 -13.462 2.487 1.00 0.00 H new ATOM 0 HA LYS A 57 5.004 -15.691 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.058 -12.760 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.499 -13.439 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.935 -14.844 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.277 -14.798 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.526 -12.459 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.135 -12.388 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.090 -13.487 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.754 -14.609 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.378 -13.422 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.583 -12.350 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.180 -12.037 -2.944 1.00 0.00 H new ATOM 681 N ASP A 58 6.328 -14.657 4.702 1.00 0.00 N ATOM 682 CA ASP A 58 6.716 -14.584 6.107 1.00 0.00 C ATOM 683 C ASP A 58 8.099 -13.954 6.263 1.00 0.00 C ATOM 684 O ASP A 58 8.809 -13.744 5.279 1.00 0.00 O ATOM 685 CB ASP A 58 6.697 -15.980 6.732 1.00 0.00 C ATOM 686 CG ASP A 58 5.519 -16.175 7.669 1.00 0.00 C ATOM 687 OD1 ASP A 58 4.567 -15.366 7.606 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.548 -17.136 8.466 1.00 0.00 O ATOM 0 H ASP A 58 7.107 -14.753 4.050 1.00 0.00 H new ATOM 0 HA ASP A 58 5.996 -13.952 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.658 -16.729 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.625 -16.143 7.280 1.00 0.00 H new ATOM 693 N PRO A 59 8.500 -13.636 7.508 1.00 0.00 N ATOM 694 CA PRO A 59 9.803 -13.022 7.787 1.00 0.00 C ATOM 695 C PRO A 59 10.967 -13.985 7.565 1.00 0.00 C ATOM 696 O PRO A 59 11.763 -14.234 8.470 1.00 0.00 O ATOM 697 CB PRO A 59 9.705 -12.631 9.263 1.00 0.00 C ATOM 698 CG PRO A 59 8.704 -13.569 9.839 1.00 0.00 C ATOM 699 CD PRO A 59 7.714 -13.846 8.740 1.00 0.00 C ATOM 0 HA PRO A 59 10.004 -12.182 7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.669 -12.726 9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.388 -11.595 9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.181 -14.490 10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.211 -13.129 10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.323 -14.862 8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.859 -13.172 8.791 1.00 0.00 H new ATOM 707 N ASN A 60 11.061 -14.518 6.352 1.00 0.00 N ATOM 708 CA ASN A 60 12.129 -15.448 6.001 1.00 0.00 C ATOM 709 C ASN A 60 12.959 -14.906 4.838 1.00 0.00 C ATOM 710 O ASN A 60 14.117 -15.283 4.661 1.00 0.00 O ATOM 711 CB ASN A 60 11.543 -16.815 5.638 1.00 0.00 C ATOM 712 CG ASN A 60 11.675 -17.819 6.767 1.00 0.00 C ATOM 713 OD1 ASN A 60 12.509 -18.723 6.715 1.00 0.00 O ATOM 714 ND2 ASN A 60 10.850 -17.664 7.795 1.00 0.00 N ATOM 0 H ASN A 60 10.409 -14.322 5.593 1.00 0.00 H new ATOM 0 HA ASN A 60 12.782 -15.561 6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.490 -16.699 5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.048 -17.200 4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.892 -18.309 8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.174 -16.900 7.796 1.00 0.00 H new ATOM 721 N TYR A 61 12.357 -14.018 4.050 1.00 0.00 N ATOM 722 CA TYR A 61 13.036 -13.421 2.908 1.00 0.00 C ATOM 723 C TYR A 61 13.286 -11.933 3.151 1.00 0.00 C ATOM 724 O TYR A 61 12.568 -11.294 3.920 1.00 0.00 O ATOM 725 CB TYR A 61 12.198 -13.623 1.639 1.00 0.00 C ATOM 726 CG TYR A 61 10.998 -12.705 1.540 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.903 -12.867 2.379 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.963 -11.678 0.607 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.808 -12.030 2.292 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.870 -10.837 0.513 1.00 0.00 C ATOM 731 CZ TYR A 61 8.797 -11.016 1.359 1.00 0.00 C ATOM 732 OH TYR A 61 7.708 -10.181 1.267 1.00 0.00 O ATOM 0 H TYR A 61 11.398 -13.697 4.184 1.00 0.00 H new ATOM 0 HA TYR A 61 14.000 -13.912 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.834 -13.468 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.855 -14.657 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.908 -13.661 3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.803 -11.534 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.965 -12.169 2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.857 -10.044 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 61 6.904 -10.658 1.561 1.00 0.00 H new ATOM 742 N TRP A 62 14.305 -11.384 2.493 1.00 0.00 N ATOM 743 CA TRP A 62 14.632 -9.971 2.651 1.00 0.00 C ATOM 744 C TRP A 62 13.729 -9.107 1.779 1.00 0.00 C ATOM 745 O TRP A 62 13.222 -9.564 0.753 1.00 0.00 O ATOM 746 CB TRP A 62 16.107 -9.717 2.306 1.00 0.00 C ATOM 747 CG TRP A 62 16.333 -9.266 0.890 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.950 -9.918 -0.244 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.981 -8.064 0.462 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.332 -9.205 -1.352 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.967 -8.061 -0.946 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.575 -6.991 1.131 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.522 -7.028 -1.696 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.125 -5.965 0.385 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.095 -5.990 -1.014 1.00 0.00 C ATOM 0 H TRP A 62 14.913 -11.892 1.851 1.00 0.00 H new ATOM 0 HA TRP A 62 14.467 -9.699 3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.504 -8.962 2.985 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.673 -10.632 2.480 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.422 -10.860 -0.267 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.170 -9.482 -2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.604 -6.963 2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.501 -7.045 -2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.586 -5.129 0.891 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.534 -5.172 -1.567 1.00 0.00 H new ATOM 766 N ILE A 63 13.542 -7.857 2.192 1.00 0.00 N ATOM 767 CA ILE A 63 12.710 -6.920 1.450 1.00 0.00 C ATOM 768 C ILE A 63 13.306 -5.515 1.481 1.00 0.00 C ATOM 769 O ILE A 63 13.330 -4.865 2.525 1.00 0.00 O ATOM 770 CB ILE A 63 11.273 -6.873 2.012 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.627 -8.254 1.926 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.431 -5.846 1.262 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.308 -8.349 2.663 1.00 0.00 C ATOM 0 H ILE A 63 13.958 -7.470 3.039 1.00 0.00 H new ATOM 0 HA ILE A 63 12.674 -7.274 0.420 1.00 0.00 H new ATOM 0 HB ILE A 63 11.324 -6.573 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.468 -8.508 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.316 -8.995 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.423 -5.831 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.882 -4.859 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.386 -6.113 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.905 -9.357 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.464 -8.127 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.603 -7.632 2.242 1.00 0.00 H new ATOM 785 N GLN A 64 13.778 -5.053 0.328 1.00 0.00 N ATOM 786 CA GLN A 64 14.366 -3.723 0.221 1.00 0.00 C ATOM 787 C GLN A 64 13.422 -2.773 -0.509 1.00 0.00 C ATOM 788 O GLN A 64 13.318 -2.806 -1.736 1.00 0.00 O ATOM 789 CB GLN A 64 15.708 -3.793 -0.510 1.00 0.00 C ATOM 790 CG GLN A 64 16.822 -3.032 0.188 1.00 0.00 C ATOM 791 CD GLN A 64 16.514 -1.553 0.336 1.00 0.00 C ATOM 792 OE1 GLN A 64 16.216 -0.867 -0.641 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.587 -1.056 1.565 1.00 0.00 N ATOM 0 H GLN A 64 13.765 -5.580 -0.545 1.00 0.00 H new ATOM 0 HA GLN A 64 14.531 -3.341 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.002 -4.838 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.584 -3.396 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.990 -3.465 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.748 -3.152 -0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.838 -1.662 2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.392 -0.068 1.728 1.00 0.00 H new ATOM 802 N VAL A 65 12.734 -1.929 0.253 1.00 0.00 N ATOM 803 CA VAL A 65 11.796 -0.972 -0.323 1.00 0.00 C ATOM 804 C VAL A 65 12.525 0.261 -0.847 1.00 0.00 C ATOM 805 O VAL A 65 12.845 1.175 -0.086 1.00 0.00 O ATOM 806 CB VAL A 65 10.737 -0.533 0.706 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.624 0.252 0.029 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.173 -1.739 1.444 1.00 0.00 C ATOM 0 H VAL A 65 12.808 -1.888 1.269 1.00 0.00 H new ATOM 0 HA VAL A 65 11.297 -1.475 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 65 11.219 0.118 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.886 0.553 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.042 1.139 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.145 -0.373 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.427 -1.407 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.709 -2.419 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.979 -2.256 1.966 1.00 0.00 H new ATOM 818 N HIS A 66 12.783 0.282 -2.152 1.00 0.00 N ATOM 819 CA HIS A 66 13.473 1.406 -2.775 1.00 0.00 C ATOM 820 C HIS A 66 12.706 2.705 -2.558 1.00 0.00 C ATOM 821 O HIS A 66 13.164 3.598 -1.847 1.00 0.00 O ATOM 822 CB HIS A 66 13.659 1.152 -4.273 1.00 0.00 C ATOM 823 CG HIS A 66 14.443 -0.085 -4.579 1.00 0.00 C ATOM 824 ND1 HIS A 66 14.113 -1.192 -5.286 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.734 -0.286 -4.139 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 15.200 -2.030 -5.260 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 16.165 -1.461 -4.563 1.00 0.00 N flip ATOM 0 H HIS A 66 12.525 -0.465 -2.797 1.00 0.00 H new ATOM 0 HA HIS A 66 14.452 1.502 -2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.679 1.077 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.162 2.010 -4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.304 0.409 -3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.256 -2.999 -5.734 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.086 -1.860 -4.382 1.00 0.00 H new ATOM 836 N ARG A 67 11.538 2.799 -3.178 1.00 0.00 N ATOM 837 CA ARG A 67 10.698 3.987 -3.059 1.00 0.00 C ATOM 838 C ARG A 67 9.387 3.798 -3.814 1.00 0.00 C ATOM 839 O ARG A 67 9.131 2.734 -4.376 1.00 0.00 O ATOM 840 CB ARG A 67 11.437 5.215 -3.592 1.00 0.00 C ATOM 841 CG ARG A 67 12.014 5.023 -4.986 1.00 0.00 C ATOM 842 CD ARG A 67 12.579 6.320 -5.542 1.00 0.00 C ATOM 843 NE ARG A 67 13.996 6.201 -5.879 1.00 0.00 N ATOM 844 CZ ARG A 67 14.788 7.241 -6.126 1.00 0.00 C ATOM 845 NH1 ARG A 67 14.309 8.478 -6.075 1.00 0.00 N ATOM 846 NH2 ARG A 67 16.066 7.045 -6.423 1.00 0.00 N ATOM 0 H ARG A 67 11.148 2.066 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 67 10.471 4.141 -2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.752 6.063 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.245 5.468 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.799 4.268 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.238 4.648 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.018 6.608 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.446 7.116 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 67 14.401 5.266 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.328 8.636 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.922 9.271 -6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.441 6.097 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.674 7.842 -6.612 1.00 0.00 H new ATOM 860 N LEU A 68 8.557 4.837 -3.822 1.00 0.00 N ATOM 861 CA LEU A 68 7.272 4.779 -4.510 1.00 0.00 C ATOM 862 C LEU A 68 7.153 5.901 -5.536 1.00 0.00 C ATOM 863 O LEU A 68 7.762 6.958 -5.385 1.00 0.00 O ATOM 864 CB LEU A 68 6.124 4.865 -3.502 1.00 0.00 C ATOM 865 CG LEU A 68 6.347 4.096 -2.197 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.353 4.541 -1.138 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.237 2.598 -2.440 1.00 0.00 C ATOM 0 H LEU A 68 8.751 5.726 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 68 7.212 3.825 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.949 5.914 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.216 4.491 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 68 7.352 4.314 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.527 3.983 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.479 5.607 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.338 4.353 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.398 2.065 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.245 2.364 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.990 2.291 -3.166 1.00 0.00 H new ATOM 879 N GLU A 69 6.368 5.660 -6.581 1.00 0.00 N ATOM 880 CA GLU A 69 6.173 6.651 -7.633 1.00 0.00 C ATOM 881 C GLU A 69 4.737 6.622 -8.148 1.00 0.00 C ATOM 882 O GLU A 69 4.122 5.560 -8.243 1.00 0.00 O ATOM 883 CB GLU A 69 7.145 6.397 -8.788 1.00 0.00 C ATOM 884 CG GLU A 69 7.118 7.481 -9.854 1.00 0.00 C ATOM 885 CD GLU A 69 7.009 6.917 -11.257 1.00 0.00 C ATOM 886 OE1 GLU A 69 5.893 6.514 -11.649 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.039 6.877 -11.963 1.00 0.00 O ATOM 0 H GLU A 69 5.857 4.788 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 69 6.370 7.636 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.156 6.315 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.906 5.439 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.276 8.147 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.024 8.083 -9.778 1.00 0.00 H new ATOM 894 N HIS A 70 4.209 7.796 -8.477 1.00 0.00 N ATOM 895 CA HIS A 70 2.844 7.906 -8.982 1.00 0.00 C ATOM 896 C HIS A 70 2.713 7.235 -10.345 1.00 0.00 C ATOM 897 O HIS A 70 2.060 6.200 -10.479 1.00 0.00 O ATOM 898 CB HIS A 70 2.431 9.375 -9.082 1.00 0.00 C ATOM 899 CG HIS A 70 1.944 9.949 -7.788 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.749 9.581 -7.203 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.497 10.869 -6.962 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.588 10.251 -6.076 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.635 11.038 -5.906 1.00 0.00 N ATOM 0 H HIS A 70 4.704 8.685 -8.403 1.00 0.00 H new ATOM 0 HA HIS A 70 2.182 7.397 -8.281 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.281 9.960 -9.432 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.646 9.473 -9.832 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.093 8.898 -7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.440 11.375 -7.107 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.256 10.169 -5.407 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.780 11.669 -5.118 1.00 0.00 H new ATOM 912 N GLY A 71 3.338 7.831 -11.356 1.00 0.00 N ATOM 913 CA GLY A 71 3.279 7.275 -12.695 1.00 0.00 C ATOM 914 C GLY A 71 3.685 8.276 -13.759 1.00 0.00 C ATOM 915 O GLY A 71 2.899 9.148 -14.132 1.00 0.00 O ATOM 0 H GLY A 71 3.884 8.689 -11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.932 6.404 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.266 6.927 -12.896 1.00 0.00 H new ATOM 919 N ASP A 72 4.913 8.151 -14.248 1.00 0.00 N ATOM 920 CA ASP A 72 5.424 9.051 -15.276 1.00 0.00 C ATOM 921 C ASP A 72 5.397 10.499 -14.796 1.00 0.00 C ATOM 922 O ASP A 72 4.995 11.401 -15.530 1.00 0.00 O ATOM 923 CB ASP A 72 4.602 8.910 -16.558 1.00 0.00 C ATOM 924 CG ASP A 72 5.459 8.989 -17.806 1.00 0.00 C ATOM 925 OD1 ASP A 72 6.363 9.850 -17.852 1.00 0.00 O ATOM 926 OD2 ASP A 72 5.226 8.192 -18.739 1.00 0.00 O ATOM 0 H ASP A 72 5.574 7.434 -13.949 1.00 0.00 H new ATOM 0 HA ASP A 72 6.458 8.777 -15.483 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.073 7.957 -16.544 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.846 9.694 -16.590 1.00 0.00 H new ATOM 931 N GLY A 73 5.830 10.714 -13.558 1.00 0.00 N ATOM 932 CA GLY A 73 5.849 12.053 -13.001 1.00 0.00 C ATOM 933 C GLY A 73 5.131 12.138 -11.668 1.00 0.00 C ATOM 934 O GLY A 73 3.927 12.389 -11.618 1.00 0.00 O ATOM 0 H GLY A 73 6.168 9.984 -12.931 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.882 12.376 -12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.384 12.743 -13.705 1.00 0.00 H new ATOM 938 N GLY A 74 5.872 11.927 -10.585 1.00 0.00 N ATOM 939 CA GLY A 74 5.283 11.984 -9.261 1.00 0.00 C ATOM 940 C GLY A 74 5.963 11.046 -8.283 1.00 0.00 C ATOM 941 O GLY A 74 5.308 10.223 -7.643 1.00 0.00 O ATOM 0 H GLY A 74 6.870 11.718 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.344 13.005 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.225 11.731 -9.326 1.00 0.00 H new ATOM 945 N ILE A 75 7.281 11.171 -8.166 1.00 0.00 N ATOM 946 CA ILE A 75 8.051 10.328 -7.259 1.00 0.00 C ATOM 947 C ILE A 75 7.576 10.491 -5.821 1.00 0.00 C ATOM 948 O ILE A 75 6.966 11.501 -5.467 1.00 0.00 O ATOM 949 CB ILE A 75 9.557 10.647 -7.331 1.00 0.00 C ATOM 950 CG1 ILE A 75 10.022 10.697 -8.791 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.353 9.615 -6.545 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.521 10.841 -8.949 1.00 0.00 C ATOM 0 H ILE A 75 7.838 11.848 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 75 7.892 9.298 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 75 9.730 11.626 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.698 9.788 -9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.531 11.532 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.415 9.852 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.036 9.628 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.179 8.624 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.774 10.869 -10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.850 11.765 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.019 9.993 -8.479 1.00 0.00 H new ATOM 964 N LEU A 76 7.861 9.491 -4.993 1.00 0.00 N ATOM 965 CA LEU A 76 7.464 9.519 -3.591 1.00 0.00 C ATOM 966 C LEU A 76 8.580 8.985 -2.699 1.00 0.00 C ATOM 967 O LEU A 76 8.966 7.818 -2.802 1.00 0.00 O ATOM 968 CB LEU A 76 6.192 8.695 -3.386 1.00 0.00 C ATOM 969 CG LEU A 76 4.925 9.295 -4.003 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.184 8.252 -4.826 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.020 9.860 -2.921 1.00 0.00 C ATOM 0 H LEU A 76 8.367 8.650 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 76 7.267 10.555 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.348 7.702 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.030 8.565 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 76 5.220 10.109 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.287 8.698 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.831 7.894 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.903 7.416 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.125 10.282 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.735 9.064 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.550 10.640 -2.374 1.00 0.00 H new ATOM 983 N ASP A 77 9.092 9.845 -1.825 1.00 0.00 N ATOM 984 CA ASP A 77 10.165 9.465 -0.913 1.00 0.00 C ATOM 985 C ASP A 77 9.605 9.100 0.458 1.00 0.00 C ATOM 986 O ASP A 77 8.399 8.909 0.617 1.00 0.00 O ATOM 987 CB ASP A 77 11.178 10.606 -0.783 1.00 0.00 C ATOM 988 CG ASP A 77 12.542 10.235 -1.333 1.00 0.00 C ATOM 989 OD1 ASP A 77 13.370 9.709 -0.559 1.00 0.00 O ATOM 990 OD2 ASP A 77 12.780 10.467 -2.536 1.00 0.00 O ATOM 0 H ASP A 77 8.781 10.812 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 77 10.669 8.590 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.803 11.483 -1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.276 10.883 0.267 1.00 0.00 H new ATOM 995 N LEU A 78 10.488 9.004 1.448 1.00 0.00 N ATOM 996 CA LEU A 78 10.079 8.659 2.806 1.00 0.00 C ATOM 997 C LEU A 78 10.286 9.838 3.752 1.00 0.00 C ATOM 998 O LEU A 78 10.778 9.672 4.868 1.00 0.00 O ATOM 999 CB LEU A 78 10.864 7.443 3.307 1.00 0.00 C ATOM 1000 CG LEU A 78 11.226 6.415 2.233 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.585 6.729 1.629 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.210 5.010 2.816 1.00 0.00 C ATOM 0 H LEU A 78 11.490 9.160 1.336 1.00 0.00 H new ATOM 0 HA LEU A 78 9.017 8.413 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.783 7.792 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.279 6.946 4.081 1.00 0.00 H new ATOM 0 HG LEU A 78 10.480 6.467 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.825 5.987 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.561 7.720 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.345 6.706 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.470 4.291 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.934 4.945 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.214 4.786 3.199 1.00 0.00 H new ATOM 1014 N ASP A 79 9.907 11.030 3.300 1.00 0.00 N ATOM 1015 CA ASP A 79 10.053 12.234 4.110 1.00 0.00 C ATOM 1016 C ASP A 79 9.042 13.301 3.703 1.00 0.00 C ATOM 1017 O ASP A 79 9.270 14.494 3.902 1.00 0.00 O ATOM 1018 CB ASP A 79 11.474 12.788 3.984 1.00 0.00 C ATOM 1019 CG ASP A 79 12.018 13.293 5.306 1.00 0.00 C ATOM 1020 OD1 ASP A 79 12.328 12.453 6.178 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.133 14.524 5.470 1.00 0.00 O ATOM 0 H ASP A 79 9.497 11.187 2.379 1.00 0.00 H new ATOM 0 HA ASP A 79 9.863 11.963 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.131 12.009 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.481 13.600 3.257 1.00 0.00 H new ATOM 1026 N ASP A 80 7.921 12.867 3.131 1.00 0.00 N ATOM 1027 CA ASP A 80 6.878 13.791 2.699 1.00 0.00 C ATOM 1028 C ASP A 80 5.502 13.304 3.143 1.00 0.00 C ATOM 1029 O ASP A 80 5.189 12.120 3.040 1.00 0.00 O ATOM 1030 CB ASP A 80 6.910 13.954 1.179 1.00 0.00 C ATOM 1031 CG ASP A 80 6.666 15.386 0.745 1.00 0.00 C ATOM 1032 OD1 ASP A 80 5.546 15.891 0.973 1.00 0.00 O ATOM 1033 OD2 ASP A 80 7.592 16.001 0.177 1.00 0.00 O ATOM 0 H ASP A 80 7.713 11.884 2.957 1.00 0.00 H new ATOM 0 HA ASP A 80 7.068 14.758 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.877 13.623 0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.155 13.308 0.731 1.00 0.00 H new ATOM 1038 N ILE A 81 4.684 14.226 3.640 1.00 0.00 N ATOM 1039 CA ILE A 81 3.345 13.893 4.103 1.00 0.00 C ATOM 1040 C ILE A 81 2.506 13.270 2.992 1.00 0.00 C ATOM 1041 O ILE A 81 2.768 13.475 1.808 1.00 0.00 O ATOM 1042 CB ILE A 81 2.636 15.140 4.658 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.330 15.579 5.941 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.161 14.865 4.917 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.209 14.558 7.051 1.00 0.00 C ATOM 0 H ILE A 81 4.928 15.212 3.732 1.00 0.00 H new ATOM 0 HA ILE A 81 3.451 13.158 4.901 1.00 0.00 H new ATOM 0 HB ILE A 81 2.695 15.938 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.385 15.761 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.903 16.525 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.686 15.765 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.676 14.575 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.063 14.058 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.722 14.925 7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.156 14.394 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.661 13.619 6.732 1.00 0.00 H new ATOM 1057 N LEU A 82 1.502 12.497 3.393 1.00 0.00 N ATOM 1058 CA LEU A 82 0.625 11.829 2.444 1.00 0.00 C ATOM 1059 C LEU A 82 -0.209 12.833 1.653 1.00 0.00 C ATOM 1060 O LEU A 82 -0.234 12.802 0.426 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.292 10.841 3.169 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.318 9.431 2.577 1.00 0.00 C ATOM 1063 CD1 LEU A 82 0.797 8.583 3.168 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.671 8.778 2.818 1.00 0.00 C ATOM 0 H LEU A 82 1.277 12.319 4.372 1.00 0.00 H new ATOM 0 HA LEU A 82 1.253 11.283 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.021 10.776 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.307 11.240 3.165 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.158 9.506 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.762 7.583 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.760 9.042 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.669 8.515 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.672 7.775 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.859 8.716 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.452 9.375 2.347 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.897 13.717 2.364 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.736 14.725 1.722 1.00 0.00 C ATOM 1078 C CYS A 83 -0.907 15.691 0.877 1.00 0.00 C ATOM 1079 O CYS A 83 -1.454 16.436 0.064 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.523 15.504 2.777 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.078 14.722 3.266 1.00 0.00 S ATOM 0 H CYS A 83 -0.892 13.758 3.383 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.429 14.206 1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.898 15.630 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.736 16.502 2.393 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.826 13.626 3.918 1.00 0.00 H new ATOM 1087 N ASP A 84 0.410 15.686 1.077 1.00 0.00 N ATOM 1088 CA ASP A 84 1.296 16.576 0.333 1.00 0.00 C ATOM 1089 C ASP A 84 1.819 15.916 -0.940 1.00 0.00 C ATOM 1090 O ASP A 84 2.065 16.592 -1.939 1.00 0.00 O ATOM 1091 CB ASP A 84 2.470 17.008 1.214 1.00 0.00 C ATOM 1092 CG ASP A 84 2.192 18.303 1.952 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.422 19.133 1.426 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.747 18.487 3.056 1.00 0.00 O ATOM 0 H ASP A 84 0.884 15.078 1.745 1.00 0.00 H new ATOM 0 HA ASP A 84 0.716 17.452 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.688 16.221 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.360 17.129 0.596 1.00 0.00 H new ATOM 1099 N VAL A 85 2.002 14.598 -0.903 1.00 0.00 N ATOM 1100 CA VAL A 85 2.511 13.872 -2.065 1.00 0.00 C ATOM 1101 C VAL A 85 1.425 13.043 -2.745 1.00 0.00 C ATOM 1102 O VAL A 85 1.324 13.028 -3.972 1.00 0.00 O ATOM 1103 CB VAL A 85 3.691 12.951 -1.691 1.00 0.00 C ATOM 1104 CG1 VAL A 85 4.928 13.777 -1.376 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.330 12.048 -0.517 1.00 0.00 C ATOM 0 H VAL A 85 1.808 14.015 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 85 2.860 14.632 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 85 3.910 12.313 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.752 13.113 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.202 14.369 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.718 14.442 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.179 11.409 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.077 12.660 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.475 11.428 -0.785 1.00 0.00 H new ATOM 1115 N ALA A 86 0.620 12.354 -1.949 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.451 11.522 -2.482 1.00 0.00 C ATOM 1117 C ALA A 86 -1.797 12.234 -2.400 1.00 0.00 C ATOM 1118 O ALA A 86 -1.901 13.321 -1.832 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.509 10.196 -1.738 1.00 0.00 C ATOM 0 H ALA A 86 0.688 12.354 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.236 11.329 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.314 9.584 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.440 9.672 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.695 10.380 -0.680 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.823 11.611 -2.968 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.165 12.179 -2.960 1.00 0.00 C ATOM 1127 C ASP A 87 -5.208 11.101 -2.681 1.00 0.00 C ATOM 1128 O ASP A 87 -4.984 9.923 -2.958 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.463 12.861 -4.297 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.110 14.334 -4.286 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -4.214 14.963 -3.212 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -3.729 14.862 -5.352 1.00 0.00 O ATOM 0 H ASP A 87 -2.750 10.710 -3.441 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.214 12.922 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.904 12.362 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.521 12.746 -4.533 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.347 11.511 -2.128 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.425 10.578 -1.811 1.00 0.00 C ATOM 1139 C ASP A 88 -7.777 9.716 -3.019 1.00 0.00 C ATOM 1140 O ASP A 88 -8.086 10.229 -4.094 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.663 11.340 -1.336 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.781 10.413 -0.901 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.643 9.776 0.164 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -10.794 10.324 -1.625 1.00 0.00 O ATOM 0 H ASP A 88 -6.547 12.483 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.079 9.923 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.389 11.990 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.021 11.984 -2.140 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.727 8.400 -2.834 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.038 7.463 -3.908 1.00 0.00 C ATOM 1151 C LYS A 89 -7.076 7.644 -5.080 1.00 0.00 C ATOM 1152 O LYS A 89 -7.442 8.192 -6.118 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.485 7.652 -4.373 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.372 6.448 -4.097 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.261 5.409 -5.201 1.00 0.00 C ATOM 1156 CE LYS A 89 -9.036 4.527 -5.012 1.00 0.00 C ATOM 1157 NZ LYS A 89 -9.296 3.121 -5.430 1.00 0.00 N ATOM 0 H LYS A 89 -7.474 7.959 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.922 6.449 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.907 8.526 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.490 7.860 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.092 5.999 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.409 6.772 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.158 4.790 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.206 5.908 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.205 4.930 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.734 4.545 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.438 2.552 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.072 2.727 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.560 3.101 -6.436 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.844 7.179 -4.903 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.830 7.290 -5.946 1.00 0.00 C ATOM 1173 C ASP A 90 -4.008 6.009 -6.047 1.00 0.00 C ATOM 1174 O ASP A 90 -3.840 5.288 -5.064 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.909 8.478 -5.666 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.184 8.952 -6.911 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.864 9.263 -7.911 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.938 9.013 -6.886 1.00 0.00 O ATOM 0 H ASP A 90 -5.524 6.722 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.340 7.449 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.495 9.300 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.178 8.197 -4.908 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.496 5.733 -7.243 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.689 4.540 -7.473 1.00 0.00 C ATOM 1185 C ARG A 91 -1.207 4.893 -7.538 1.00 0.00 C ATOM 1186 O ARG A 91 -0.826 5.919 -8.101 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.120 3.849 -8.770 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.590 3.462 -8.793 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.134 3.420 -10.211 1.00 0.00 C ATOM 1190 NE ARG A 91 -5.322 2.051 -10.687 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.502 1.728 -11.964 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -5.520 2.670 -12.899 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -5.665 0.457 -12.311 1.00 0.00 N ATOM 0 H ARG A 91 -3.626 6.319 -8.067 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.846 3.857 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.914 4.511 -9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.515 2.954 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.717 2.486 -8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.164 4.176 -8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.085 3.951 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.449 3.944 -10.877 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.315 1.299 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.395 3.649 -12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.659 2.415 -13.877 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.652 -0.272 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.803 0.210 -13.291 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.373 4.037 -6.954 1.00 0.00 N ATOM 1208 CA LEU A 92 1.068 4.260 -6.944 1.00 0.00 C ATOM 1209 C LEU A 92 1.822 2.999 -7.354 1.00 0.00 C ATOM 1210 O LEU A 92 1.241 1.916 -7.444 1.00 0.00 O ATOM 1211 CB LEU A 92 1.526 4.707 -5.553 1.00 0.00 C ATOM 1212 CG LEU A 92 0.628 5.747 -4.875 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.359 5.361 -3.428 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.262 7.129 -4.950 1.00 0.00 C ATOM 0 H LEU A 92 -0.671 3.183 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 92 1.290 5.045 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.589 3.830 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.533 5.117 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.324 5.775 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.280 6.112 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.138 4.392 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.303 5.303 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.611 7.855 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.228 7.114 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.402 7.409 -5.994 1.00 0.00 H new ATOM 1226 N VAL A 93 3.121 3.148 -7.599 1.00 0.00 N ATOM 1227 CA VAL A 93 3.960 2.024 -7.994 1.00 0.00 C ATOM 1228 C VAL A 93 5.095 1.815 -6.997 1.00 0.00 C ATOM 1229 O VAL A 93 6.027 2.616 -6.924 1.00 0.00 O ATOM 1230 CB VAL A 93 4.557 2.236 -9.398 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.274 0.980 -9.870 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.471 2.640 -10.385 1.00 0.00 C ATOM 0 H VAL A 93 3.615 4.038 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 93 3.323 1.140 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 93 5.286 3.044 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.689 1.150 -10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.080 0.739 -9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.568 0.151 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.912 2.785 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.716 1.855 -10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.006 3.569 -10.055 1.00 0.00 H new ATOM 1242 N ALA A 94 5.003 0.740 -6.222 1.00 0.00 N ATOM 1243 CA ALA A 94 6.015 0.429 -5.219 1.00 0.00 C ATOM 1244 C ALA A 94 7.146 -0.415 -5.801 1.00 0.00 C ATOM 1245 O ALA A 94 6.921 -1.519 -6.303 1.00 0.00 O ATOM 1246 CB ALA A 94 5.380 -0.285 -4.037 1.00 0.00 C ATOM 0 H ALA A 94 4.237 0.068 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 94 6.446 1.371 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.146 -0.512 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.620 0.356 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.918 -1.212 -4.377 1.00 0.00 H new ATOM 1252 N VAL A 95 8.365 0.113 -5.718 1.00 0.00 N ATOM 1253 CA VAL A 95 9.543 -0.585 -6.220 1.00 0.00 C ATOM 1254 C VAL A 95 10.424 -1.050 -5.065 1.00 0.00 C ATOM 1255 O VAL A 95 10.925 -0.239 -4.284 1.00 0.00 O ATOM 1256 CB VAL A 95 10.375 0.314 -7.155 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.490 -0.484 -7.812 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.482 0.959 -8.206 1.00 0.00 C ATOM 0 H VAL A 95 8.562 1.025 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 95 9.190 -1.448 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 95 10.829 1.105 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.066 0.168 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.145 -0.895 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.060 -1.298 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.085 1.591 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.999 0.183 -8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.722 1.566 -7.715 1.00 0.00 H new ATOM 1268 N PHE A 96 10.600 -2.360 -4.951 1.00 0.00 N ATOM 1269 CA PHE A 96 11.409 -2.927 -3.879 1.00 0.00 C ATOM 1270 C PHE A 96 12.093 -4.215 -4.320 1.00 0.00 C ATOM 1271 O PHE A 96 12.013 -4.611 -5.483 1.00 0.00 O ATOM 1272 CB PHE A 96 10.534 -3.202 -2.655 1.00 0.00 C ATOM 1273 CG PHE A 96 9.527 -4.296 -2.874 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.563 -4.178 -3.862 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.547 -5.442 -2.094 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.639 -5.183 -4.070 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.623 -6.450 -2.297 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.668 -6.320 -3.288 1.00 0.00 C ATOM 0 H PHE A 96 10.195 -3.048 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 96 12.182 -2.202 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.173 -3.470 -1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.011 -2.287 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.534 -3.290 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.292 -5.548 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.894 -5.079 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.647 -7.338 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.946 -7.107 -3.450 1.00 0.00 H new ATOM 1288 N ASP A 97 12.752 -4.869 -3.372 1.00 0.00 N ATOM 1289 CA ASP A 97 13.441 -6.124 -3.634 1.00 0.00 C ATOM 1290 C ASP A 97 12.900 -7.215 -2.719 1.00 0.00 C ATOM 1291 O ASP A 97 12.365 -6.923 -1.651 1.00 0.00 O ATOM 1292 CB ASP A 97 14.948 -5.957 -3.420 1.00 0.00 C ATOM 1293 CG ASP A 97 15.727 -6.016 -4.720 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.621 -5.062 -5.520 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.443 -7.016 -4.939 1.00 0.00 O ATOM 0 H ASP A 97 12.823 -4.547 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 97 13.266 -6.411 -4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.139 -5.003 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.306 -6.738 -2.750 1.00 0.00 H new ATOM 1300 N GLU A 98 13.036 -8.469 -3.137 1.00 0.00 N ATOM 1301 CA GLU A 98 12.548 -9.586 -2.339 1.00 0.00 C ATOM 1302 C GLU A 98 13.277 -10.877 -2.693 1.00 0.00 C ATOM 1303 O GLU A 98 13.400 -11.228 -3.867 1.00 0.00 O ATOM 1304 CB GLU A 98 11.043 -9.766 -2.544 1.00 0.00 C ATOM 1305 CG GLU A 98 10.622 -9.748 -4.002 1.00 0.00 C ATOM 1306 CD GLU A 98 9.119 -9.840 -4.177 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.492 -10.678 -3.494 1.00 0.00 O ATOM 1308 OE2 GLU A 98 8.567 -9.073 -4.996 1.00 0.00 O ATOM 0 H GLU A 98 13.477 -8.736 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 98 12.744 -9.359 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.734 -10.711 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.515 -8.974 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.983 -8.832 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.096 -10.580 -4.523 1.00 0.00 H new ATOM 1315 N GLN A 99 13.754 -11.585 -1.672 1.00 0.00 N ATOM 1316 CA GLN A 99 14.465 -12.843 -1.889 1.00 0.00 C ATOM 1317 C GLN A 99 13.528 -14.034 -1.696 1.00 0.00 C ATOM 1318 O GLN A 99 13.689 -14.820 -0.761 1.00 0.00 O ATOM 1319 CB GLN A 99 15.667 -12.961 -0.948 1.00 0.00 C ATOM 1320 CG GLN A 99 16.368 -14.310 -1.010 1.00 0.00 C ATOM 1321 CD GLN A 99 17.842 -14.217 -0.662 1.00 0.00 C ATOM 1322 OE1 GLN A 99 18.640 -13.683 -1.432 1.00 0.00 O ATOM 1323 NE2 GLN A 99 18.209 -14.738 0.503 1.00 0.00 N ATOM 0 H GLN A 99 13.662 -11.312 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 99 14.829 -12.848 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.385 -12.178 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.335 -12.782 0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.879 -15.001 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.260 -14.726 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.513 -15.171 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.187 -14.705 0.791 1.00 0.00 H new ATOM 1332 N ASP A 100 12.551 -14.162 -2.587 1.00 0.00 N ATOM 1333 CA ASP A 100 11.591 -15.257 -2.515 1.00 0.00 C ATOM 1334 C ASP A 100 10.915 -15.479 -3.864 1.00 0.00 C ATOM 1335 O ASP A 100 10.489 -16.621 -4.132 1.00 0.00 O ATOM 1336 CB ASP A 100 10.538 -14.968 -1.443 1.00 0.00 C ATOM 1337 CG ASP A 100 10.184 -16.200 -0.633 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.373 -17.017 -1.119 1.00 0.00 O ATOM 1339 OD2 ASP A 100 10.718 -16.348 0.486 1.00 0.00 O ATOM 1340 OXT ASP A 100 10.814 -14.506 -4.641 1.00 0.00 O ATOM 0 H ASP A 100 12.403 -13.522 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 100 12.132 -16.165 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.908 -14.191 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.638 -14.578 -1.918 1.00 0.00 H new TER 1345 ASP A 100