USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 58 SER OG : rot 180:sc= 0.19 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -108:sc= 0.195 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.65 X(o=-0.65,f=-0.32) USER MOD Single : A 9 THR OG1 : rot -71:sc= 1.05 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -169:sc= 1.23 USER MOD Single : A 24 GLN : amide:sc= 0.265 K(o=0.27,f=-0.29) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.479 K(o=-0.48,f=-3.1!) USER MOD Single : A 43 THR OG1 : rot 99:sc= 0.41 USER MOD Single : A 46 SER OG : rot 180:sc= 0.055 USER MOD Single : A 51 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.187 -12.640 -0.713 1.00 0.00 N ATOM 9 CA SER A 2 -2.782 -12.467 -0.346 1.00 0.00 C ATOM 10 C SER A 2 -2.489 -10.986 -0.101 1.00 0.00 C ATOM 11 O SER A 2 -1.637 -10.620 0.712 1.00 0.00 O ATOM 12 CB SER A 2 -1.939 -13.011 -1.500 1.00 0.00 C ATOM 13 OG SER A 2 -0.651 -13.383 -1.055 1.00 0.00 O ATOM 0 HA SER A 2 -2.545 -13.004 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.437 -13.873 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.854 -12.255 -2.281 1.00 0.00 H new ATOM 0 HG SER A 2 -0.131 -13.729 -1.810 1.00 0.00 H new ATOM 19 N GLU A 3 -3.199 -10.125 -0.822 1.00 0.00 N ATOM 20 CA GLU A 3 -3.092 -8.686 -0.747 1.00 0.00 C ATOM 21 C GLU A 3 -3.495 -8.209 0.657 1.00 0.00 C ATOM 22 O GLU A 3 -2.790 -7.395 1.247 1.00 0.00 O ATOM 23 CB GLU A 3 -3.957 -8.035 -1.839 1.00 0.00 C ATOM 24 CG GLU A 3 -3.870 -8.600 -3.267 1.00 0.00 C ATOM 25 CD GLU A 3 -4.708 -9.862 -3.463 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.945 -9.729 -3.619 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.167 -10.986 -3.325 1.00 0.00 O ATOM 0 H GLU A 3 -3.894 -10.432 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.059 -8.385 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.997 -8.095 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.698 -6.977 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.200 -7.838 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.829 -8.822 -3.501 1.00 0.00 H new ATOM 34 N GLU A 4 -4.561 -8.783 1.230 1.00 0.00 N ATOM 35 CA GLU A 4 -4.980 -8.521 2.620 1.00 0.00 C ATOM 36 C GLU A 4 -3.828 -8.772 3.596 1.00 0.00 C ATOM 37 O GLU A 4 -3.583 -7.975 4.506 1.00 0.00 O ATOM 38 CB GLU A 4 -6.163 -9.411 3.044 1.00 0.00 C ATOM 39 CG GLU A 4 -7.358 -9.352 2.089 1.00 0.00 C ATOM 40 CD GLU A 4 -8.600 -10.104 2.592 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.443 -11.123 3.311 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.713 -9.694 2.184 1.00 0.00 O ATOM 0 H GLU A 4 -5.163 -9.447 0.742 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.285 -7.475 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.820 -10.443 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.491 -9.112 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.622 -8.308 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.061 -9.767 1.126 1.00 0.00 H new ATOM 49 N HIS A 5 -3.091 -9.869 3.376 1.00 0.00 N ATOM 50 CA HIS A 5 -1.963 -10.189 4.242 1.00 0.00 C ATOM 51 C HIS A 5 -0.874 -9.119 4.102 1.00 0.00 C ATOM 52 O HIS A 5 -0.214 -8.791 5.086 1.00 0.00 O ATOM 53 CB HIS A 5 -1.447 -11.610 3.966 1.00 0.00 C ATOM 54 CG HIS A 5 -0.329 -12.111 4.869 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.333 -13.309 4.717 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.164 -11.530 6.012 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.188 -13.442 5.745 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.157 -12.362 6.540 1.00 0.00 N ATOM 0 H HIS A 5 -3.255 -10.534 2.620 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.290 -10.180 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.287 -12.300 4.047 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.098 -11.652 2.934 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.160 -10.589 6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.817 -14.304 5.909 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.737 -12.184 7.360 1.00 0.00 H new ATOM 66 N PHE A 6 -0.663 -8.533 2.920 1.00 0.00 N ATOM 67 CA PHE A 6 0.316 -7.468 2.787 1.00 0.00 C ATOM 68 C PHE A 6 -0.097 -6.249 3.621 1.00 0.00 C ATOM 69 O PHE A 6 0.732 -5.705 4.352 1.00 0.00 O ATOM 70 CB PHE A 6 0.548 -7.088 1.317 1.00 0.00 C ATOM 71 CG PHE A 6 1.822 -6.300 1.034 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.770 -6.005 2.036 1.00 0.00 C ATOM 73 CD2 PHE A 6 2.065 -5.858 -0.277 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.917 -5.258 1.738 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.246 -5.159 -0.585 1.00 0.00 C ATOM 76 CZ PHE A 6 4.160 -4.830 0.427 1.00 0.00 C ATOM 0 H PHE A 6 -1.151 -8.778 2.059 1.00 0.00 H new ATOM 0 HA PHE A 6 1.266 -7.839 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.568 -8.002 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.304 -6.502 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.610 -6.359 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.341 -6.056 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.617 -5.011 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.450 -4.874 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.043 -4.252 0.197 1.00 0.00 H new ATOM 86 N VAL A 7 -1.369 -5.845 3.551 1.00 0.00 N ATOM 87 CA VAL A 7 -1.892 -4.775 4.396 1.00 0.00 C ATOM 88 C VAL A 7 -1.562 -5.077 5.852 1.00 0.00 C ATOM 89 O VAL A 7 -0.966 -4.248 6.543 1.00 0.00 O ATOM 90 CB VAL A 7 -3.401 -4.579 4.157 1.00 0.00 C ATOM 91 CG1 VAL A 7 -4.034 -3.603 5.154 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.630 -4.054 2.741 1.00 0.00 C ATOM 0 H VAL A 7 -2.056 -6.247 2.913 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.416 -3.830 4.135 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.875 -5.551 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.098 -3.502 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.903 -3.982 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.552 -2.629 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.698 -3.916 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.117 -3.100 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.239 -4.771 2.019 1.00 0.00 H new ATOM 102 N GLU A 8 -1.911 -6.282 6.295 1.00 0.00 N ATOM 103 CA GLU A 8 -1.717 -6.692 7.665 1.00 0.00 C ATOM 104 C GLU A 8 -0.243 -6.632 8.064 1.00 0.00 C ATOM 105 O GLU A 8 0.075 -6.053 9.096 1.00 0.00 O ATOM 106 CB GLU A 8 -2.330 -8.075 7.872 1.00 0.00 C ATOM 107 CG GLU A 8 -2.353 -8.422 9.362 1.00 0.00 C ATOM 108 CD GLU A 8 -3.526 -9.336 9.691 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.673 -8.826 9.658 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.311 -10.523 10.029 1.00 0.00 O ATOM 0 H GLU A 8 -2.337 -6.997 5.705 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.230 -5.994 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.343 -8.096 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.754 -8.822 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.418 -8.909 9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.423 -7.508 9.951 1.00 0.00 H new ATOM 117 N THR A 9 0.677 -7.169 7.262 1.00 0.00 N ATOM 118 CA THR A 9 2.072 -7.276 7.660 1.00 0.00 C ATOM 119 C THR A 9 2.705 -5.904 7.853 1.00 0.00 C ATOM 120 O THR A 9 3.489 -5.713 8.790 1.00 0.00 O ATOM 121 CB THR A 9 2.891 -8.062 6.630 1.00 0.00 C ATOM 122 OG1 THR A 9 2.334 -8.147 5.333 1.00 0.00 O ATOM 123 CG2 THR A 9 3.157 -9.486 7.092 1.00 0.00 C ATOM 0 H THR A 9 0.476 -7.536 6.332 1.00 0.00 H new ATOM 0 HA THR A 9 2.083 -7.811 8.610 1.00 0.00 H new ATOM 0 HB THR A 9 3.806 -7.474 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.553 -8.738 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.740 -10.011 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.713 -9.467 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.209 -10.003 7.243 1.00 0.00 H new ATOM 131 N VAL A 10 2.383 -4.966 6.966 1.00 0.00 N ATOM 132 CA VAL A 10 2.890 -3.613 7.069 1.00 0.00 C ATOM 133 C VAL A 10 2.233 -2.926 8.267 1.00 0.00 C ATOM 134 O VAL A 10 2.920 -2.191 8.973 1.00 0.00 O ATOM 135 CB VAL A 10 2.688 -2.888 5.730 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.079 -1.427 5.819 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.539 -3.525 4.634 1.00 0.00 C ATOM 0 H VAL A 10 1.770 -5.126 6.167 1.00 0.00 H new ATOM 0 HA VAL A 10 3.964 -3.598 7.257 1.00 0.00 H new ATOM 0 HB VAL A 10 1.628 -2.972 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.922 -0.949 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.467 -0.932 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.130 -1.348 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.379 -2.995 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.592 -3.465 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.254 -4.570 4.513 1.00 0.00 H new ATOM 147 N SER A 11 0.960 -3.213 8.553 1.00 0.00 N ATOM 148 CA SER A 11 0.295 -2.752 9.760 1.00 0.00 C ATOM 149 C SER A 11 1.051 -3.185 11.011 1.00 0.00 C ATOM 150 O SER A 11 1.171 -2.401 11.954 1.00 0.00 O ATOM 151 CB SER A 11 -1.181 -3.192 9.731 1.00 0.00 C ATOM 152 OG SER A 11 -1.775 -3.574 10.961 1.00 0.00 O ATOM 0 H SER A 11 0.364 -3.776 7.946 1.00 0.00 H new ATOM 0 HA SER A 11 0.301 -1.663 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.768 -2.373 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.268 -4.031 9.040 1.00 0.00 H new ATOM 0 HG SER A 11 -2.709 -3.828 10.808 1.00 0.00 H new ATOM 158 N LEU A 12 1.604 -4.399 11.020 1.00 0.00 N ATOM 159 CA LEU A 12 2.360 -4.870 12.165 1.00 0.00 C ATOM 160 C LEU A 12 3.609 -4.014 12.319 1.00 0.00 C ATOM 161 O LEU A 12 3.823 -3.424 13.380 1.00 0.00 O ATOM 162 CB LEU A 12 2.758 -6.351 12.055 1.00 0.00 C ATOM 163 CG LEU A 12 1.567 -7.295 11.870 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.086 -8.696 11.532 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.692 -7.365 13.121 1.00 0.00 C ATOM 0 H LEU A 12 1.539 -5.064 10.250 1.00 0.00 H new ATOM 0 HA LEU A 12 1.717 -4.782 13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.441 -6.473 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.303 -6.640 12.954 1.00 0.00 H new ATOM 0 HG LEU A 12 0.952 -6.907 11.058 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.243 -9.374 11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.668 -8.656 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.716 -9.056 12.345 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.141 -8.046 12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.286 -7.727 13.960 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.306 -6.372 13.351 1.00 0.00 H new ATOM 177 N ALA A 13 4.433 -3.963 11.269 1.00 0.00 N ATOM 178 CA ALA A 13 5.719 -3.280 11.290 1.00 0.00 C ATOM 179 C ALA A 13 5.570 -1.766 11.458 1.00 0.00 C ATOM 180 O ALA A 13 6.499 -1.108 11.923 1.00 0.00 O ATOM 181 CB ALA A 13 6.484 -3.608 10.005 1.00 0.00 C ATOM 0 H ALA A 13 4.219 -4.401 10.373 1.00 0.00 H new ATOM 0 HA ALA A 13 6.278 -3.636 12.155 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.448 -3.099 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.643 -4.684 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.907 -3.274 9.143 1.00 0.00 H new ATOM 187 N GLY A 14 4.415 -1.207 11.099 1.00 0.00 N ATOM 188 CA GLY A 14 4.219 0.223 10.958 1.00 0.00 C ATOM 189 C GLY A 14 5.001 0.783 9.768 1.00 0.00 C ATOM 190 O GLY A 14 5.154 2.001 9.669 1.00 0.00 O ATOM 0 H GLY A 14 3.577 -1.752 10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.158 0.435 10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.535 0.726 11.872 1.00 0.00 H new ATOM 194 N SER A 15 5.538 -0.055 8.870 1.00 0.00 N ATOM 195 CA SER A 15 6.486 0.384 7.856 1.00 0.00 C ATOM 196 C SER A 15 6.787 -0.738 6.853 1.00 0.00 C ATOM 197 O SER A 15 6.331 -1.873 7.027 1.00 0.00 O ATOM 198 CB SER A 15 7.734 0.905 8.599 1.00 0.00 C ATOM 199 OG SER A 15 8.765 -0.049 8.695 1.00 0.00 O ATOM 0 H SER A 15 5.323 -1.051 8.832 1.00 0.00 H new ATOM 0 HA SER A 15 6.076 1.190 7.248 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.113 1.788 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.446 1.220 9.602 1.00 0.00 H new ATOM 0 HG SER A 15 9.527 0.340 9.173 1.00 0.00 H new ATOM 205 N TYR A 16 7.531 -0.430 5.784 1.00 0.00 N ATOM 206 CA TYR A 16 7.999 -1.419 4.814 1.00 0.00 C ATOM 207 C TYR A 16 9.236 -0.928 4.063 1.00 0.00 C ATOM 208 O TYR A 16 9.145 0.072 3.350 1.00 0.00 O ATOM 209 CB TYR A 16 6.891 -1.715 3.795 1.00 0.00 C ATOM 210 CG TYR A 16 7.191 -2.916 2.930 1.00 0.00 C ATOM 211 CD1 TYR A 16 6.992 -4.200 3.457 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.673 -2.764 1.617 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.217 -5.327 2.659 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.927 -3.896 0.817 1.00 0.00 C ATOM 215 CZ TYR A 16 7.691 -5.189 1.336 1.00 0.00 C ATOM 216 OH TYR A 16 7.862 -6.299 0.563 1.00 0.00 O ATOM 0 H TYR A 16 7.826 0.522 5.569 1.00 0.00 H new ATOM 0 HA TYR A 16 8.260 -2.322 5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.953 -1.881 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.748 -0.842 3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.665 -4.319 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.849 -1.775 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.026 -6.312 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.301 -3.776 -0.189 1.00 0.00 H new ATOM 0 HH TYR A 16 8.193 -6.034 -0.321 1.00 0.00 H new ATOM 226 N ARG A 17 10.358 -1.655 4.135 1.00 0.00 N ATOM 227 CA ARG A 17 11.647 -1.338 3.500 1.00 0.00 C ATOM 228 C ARG A 17 12.210 -0.033 4.058 1.00 0.00 C ATOM 229 O ARG A 17 13.041 -0.065 4.956 1.00 0.00 O ATOM 230 CB ARG A 17 11.584 -1.347 1.963 1.00 0.00 C ATOM 231 CG ARG A 17 11.119 -2.690 1.381 1.00 0.00 C ATOM 232 CD ARG A 17 12.130 -3.315 0.421 1.00 0.00 C ATOM 233 NE ARG A 17 12.983 -4.341 1.038 1.00 0.00 N ATOM 234 CZ ARG A 17 14.208 -4.187 1.556 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.779 -2.988 1.614 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.860 -5.260 1.991 1.00 0.00 N ATOM 0 H ARG A 17 10.395 -2.526 4.665 1.00 0.00 H new ATOM 0 HA ARG A 17 12.340 -2.139 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.907 -0.561 1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.570 -1.108 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.927 -3.385 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.174 -2.544 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.593 -3.759 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.763 -2.527 0.013 1.00 0.00 H new ATOM 0 HE ARG A 17 12.595 -5.284 1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.283 -2.169 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.713 -2.887 2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.426 -6.181 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.794 -5.163 2.389 1.00 0.00 H new ATOM 250 N ASP A 18 11.750 1.100 3.536 1.00 0.00 N ATOM 251 CA ASP A 18 12.073 2.458 3.991 1.00 0.00 C ATOM 252 C ASP A 18 10.822 3.342 4.070 1.00 0.00 C ATOM 253 O ASP A 18 10.902 4.512 4.444 1.00 0.00 O ATOM 254 CB ASP A 18 13.128 3.085 3.060 1.00 0.00 C ATOM 255 CG ASP A 18 14.573 2.882 3.522 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.836 2.644 4.722 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.472 2.933 2.649 1.00 0.00 O ATOM 0 H ASP A 18 11.108 1.101 2.743 1.00 0.00 H new ATOM 0 HA ASP A 18 12.483 2.390 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.014 2.660 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.932 4.154 2.975 1.00 0.00 H new ATOM 262 N TRP A 19 9.660 2.803 3.704 1.00 0.00 N ATOM 263 CA TRP A 19 8.376 3.473 3.751 1.00 0.00 C ATOM 264 C TRP A 19 7.784 3.334 5.146 1.00 0.00 C ATOM 265 O TRP A 19 8.110 2.405 5.882 1.00 0.00 O ATOM 266 CB TRP A 19 7.410 2.834 2.747 1.00 0.00 C ATOM 267 CG TRP A 19 7.815 2.818 1.310 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.918 2.244 0.783 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.132 3.447 0.193 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.977 2.491 -0.569 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.923 3.273 -0.973 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.955 4.207 0.053 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.540 3.797 -2.210 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.551 4.731 -1.183 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.339 4.517 -2.329 1.00 0.00 C ATOM 0 H TRP A 19 9.593 1.848 3.353 1.00 0.00 H new ATOM 0 HA TRP A 19 8.520 4.524 3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.236 1.804 3.058 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.456 3.355 2.821 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.647 1.675 1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.707 2.140 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.345 4.392 0.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 8.168 3.649 -3.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.635 5.299 -1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.025 4.901 -3.288 1.00 0.00 H new ATOM 286 N SER A 20 6.820 4.190 5.442 1.00 0.00 N ATOM 287 CA SER A 20 6.063 4.309 6.666 1.00 0.00 C ATOM 288 C SER A 20 4.669 3.797 6.360 1.00 0.00 C ATOM 289 O SER A 20 4.146 4.111 5.293 1.00 0.00 O ATOM 290 CB SER A 20 5.958 5.800 6.988 1.00 0.00 C ATOM 291 OG SER A 20 7.154 6.272 7.580 1.00 0.00 O ATOM 0 H SER A 20 6.523 4.886 4.759 1.00 0.00 H new ATOM 0 HA SER A 20 6.519 3.763 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.753 6.360 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.120 5.973 7.663 1.00 0.00 H new ATOM 0 HG SER A 20 7.067 7.228 7.777 1.00 0.00 H new ATOM 297 N TYR A 21 4.062 3.030 7.256 1.00 0.00 N ATOM 298 CA TYR A 21 2.624 2.809 7.228 1.00 0.00 C ATOM 299 C TYR A 21 1.910 4.138 7.526 1.00 0.00 C ATOM 300 O TYR A 21 2.521 5.107 7.985 1.00 0.00 O ATOM 301 CB TYR A 21 2.286 1.696 8.233 1.00 0.00 C ATOM 302 CG TYR A 21 0.843 1.219 8.267 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.233 0.730 7.094 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.121 1.212 9.477 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.092 0.265 7.125 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.205 0.742 9.518 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.818 0.275 8.334 1.00 0.00 C ATOM 308 OH TYR A 21 -3.098 -0.182 8.329 1.00 0.00 O ATOM 0 H TYR A 21 4.546 2.549 8.014 1.00 0.00 H new ATOM 0 HA TYR A 21 2.280 2.479 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.923 0.838 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.552 2.047 9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.787 0.713 6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.590 1.571 10.382 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.556 -0.101 6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.751 0.738 10.450 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.472 -0.116 9.232 1.00 0.00 H new ATOM 318 N SER A 22 0.616 4.168 7.244 1.00 0.00 N ATOM 319 CA SER A 22 -0.342 5.209 7.538 1.00 0.00 C ATOM 320 C SER A 22 -1.506 4.460 8.189 1.00 0.00 C ATOM 321 O SER A 22 -1.386 4.043 9.337 1.00 0.00 O ATOM 322 CB SER A 22 -0.700 6.048 6.302 1.00 0.00 C ATOM 323 OG SER A 22 0.239 7.059 5.983 1.00 0.00 O ATOM 0 H SER A 22 0.175 3.388 6.758 1.00 0.00 H new ATOM 0 HA SER A 22 0.041 5.976 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.803 5.383 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.673 6.512 6.464 1.00 0.00 H new ATOM 0 HG SER A 22 -0.138 7.652 5.300 1.00 0.00 H new ATOM 329 N GLY A 23 -2.661 4.352 7.531 1.00 0.00 N ATOM 330 CA GLY A 23 -3.879 3.818 8.127 1.00 0.00 C ATOM 331 C GLY A 23 -4.828 4.979 8.351 1.00 0.00 C ATOM 332 O GLY A 23 -5.318 5.253 9.447 1.00 0.00 O ATOM 0 H GLY A 23 -2.775 4.637 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.332 3.075 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.657 3.318 9.070 1.00 0.00 H new ATOM 336 N GLN A 24 -5.055 5.723 7.278 1.00 0.00 N ATOM 337 CA GLN A 24 -5.974 6.824 7.218 1.00 0.00 C ATOM 338 C GLN A 24 -6.825 6.583 6.003 1.00 0.00 C ATOM 339 O GLN A 24 -6.443 6.848 4.870 1.00 0.00 O ATOM 340 CB GLN A 24 -5.196 8.138 7.167 1.00 0.00 C ATOM 341 CG GLN A 24 -6.134 9.347 7.165 1.00 0.00 C ATOM 342 CD GLN A 24 -7.058 9.364 8.377 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.583 9.345 9.510 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.365 9.357 8.202 1.00 0.00 N ATOM 0 H GLN A 24 -4.577 5.559 6.392 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.615 6.898 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.525 8.198 8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.573 8.158 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.543 10.263 7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.733 9.338 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.753 9.373 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.988 9.336 9.010 1.00 0.00 H new ATOM 353 N ARG A 25 -7.962 5.973 6.265 1.00 0.00 N ATOM 354 CA ARG A 25 -9.105 5.945 5.388 1.00 0.00 C ATOM 355 C ARG A 25 -9.455 7.380 5.033 1.00 0.00 C ATOM 356 O ARG A 25 -9.644 8.216 5.913 1.00 0.00 O ATOM 357 CB ARG A 25 -10.230 5.108 5.996 1.00 0.00 C ATOM 358 CG ARG A 25 -10.169 5.006 7.523 1.00 0.00 C ATOM 359 CD ARG A 25 -11.428 4.321 8.007 1.00 0.00 C ATOM 360 NE ARG A 25 -11.159 3.113 8.802 1.00 0.00 N ATOM 361 CZ ARG A 25 -10.729 3.000 10.061 1.00 0.00 C ATOM 362 NH1 ARG A 25 -10.478 4.057 10.825 1.00 0.00 N ATOM 363 NH2 ARG A 25 -10.545 1.792 10.570 1.00 0.00 N ATOM 0 H ARG A 25 -8.117 5.462 7.134 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.894 5.438 4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.188 5.540 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.193 4.104 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.288 4.442 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.083 5.998 7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.008 5.022 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.042 4.053 7.147 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.326 2.230 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.613 4.998 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.151 3.928 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.731 0.965 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.217 1.688 11.530 1.00 0.00 H new ATOM 377 N THR A 26 -9.525 7.649 3.746 1.00 0.00 N ATOM 378 CA THR A 26 -9.985 8.888 3.160 1.00 0.00 C ATOM 379 C THR A 26 -11.194 8.503 2.299 1.00 0.00 C ATOM 380 O THR A 26 -11.741 7.402 2.438 1.00 0.00 O ATOM 381 CB THR A 26 -8.826 9.601 2.420 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.473 8.964 1.208 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.542 9.724 3.257 1.00 0.00 C ATOM 0 H THR A 26 -9.245 6.967 3.041 1.00 0.00 H new ATOM 0 HA THR A 26 -10.305 9.633 3.889 1.00 0.00 H new ATOM 0 HB THR A 26 -9.228 10.595 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.740 9.455 0.782 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.775 10.233 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.750 10.296 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.189 8.730 3.530 1.00 0.00 H new ATOM 391 N GLU A 27 -11.636 9.390 1.421 1.00 0.00 N ATOM 392 CA GLU A 27 -12.492 9.043 0.296 1.00 0.00 C ATOM 393 C GLU A 27 -11.839 8.004 -0.613 1.00 0.00 C ATOM 394 O GLU A 27 -12.481 7.038 -1.024 1.00 0.00 O ATOM 395 CB GLU A 27 -12.813 10.287 -0.546 1.00 0.00 C ATOM 396 CG GLU A 27 -11.811 11.459 -0.495 1.00 0.00 C ATOM 397 CD GLU A 27 -12.096 12.411 0.669 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.960 13.306 0.519 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.442 12.259 1.728 1.00 0.00 O ATOM 0 H GLU A 27 -11.408 10.383 1.470 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.407 8.626 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.912 9.974 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.787 10.663 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.799 11.066 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.853 12.012 -1.433 1.00 0.00 H new ATOM 406 N LEU A 28 -10.572 8.232 -0.958 1.00 0.00 N ATOM 407 CA LEU A 28 -9.912 7.660 -2.132 1.00 0.00 C ATOM 408 C LEU A 28 -9.213 6.356 -1.817 1.00 0.00 C ATOM 409 O LEU A 28 -8.366 5.898 -2.592 1.00 0.00 O ATOM 410 CB LEU A 28 -8.975 8.709 -2.761 1.00 0.00 C ATOM 411 CG LEU A 28 -9.707 9.975 -3.248 1.00 0.00 C ATOM 412 CD1 LEU A 28 -8.720 11.006 -3.788 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.770 9.677 -4.313 1.00 0.00 C ATOM 0 H LEU A 28 -9.958 8.837 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.671 7.403 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.219 8.995 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.449 8.257 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.218 10.380 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.264 11.889 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.022 11.288 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.169 10.578 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.251 10.607 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.298 9.213 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.518 8.999 -3.901 1.00 0.00 H new ATOM 425 N GLY A 29 -9.603 5.759 -0.699 1.00 0.00 N ATOM 426 CA GLY A 29 -9.072 4.508 -0.219 1.00 0.00 C ATOM 427 C GLY A 29 -8.697 4.640 1.240 1.00 0.00 C ATOM 428 O GLY A 29 -9.294 5.440 1.964 1.00 0.00 O ATOM 0 H GLY A 29 -10.320 6.151 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.811 3.716 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.198 4.224 -0.805 1.00 0.00 H new ATOM 432 N VAL A 30 -7.711 3.869 1.675 1.00 0.00 N ATOM 433 CA VAL A 30 -6.974 4.123 2.898 1.00 0.00 C ATOM 434 C VAL A 30 -5.501 4.247 2.541 1.00 0.00 C ATOM 435 O VAL A 30 -4.989 3.500 1.711 1.00 0.00 O ATOM 436 CB VAL A 30 -7.363 3.096 3.985 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.454 1.666 3.474 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.400 3.100 5.179 1.00 0.00 C ATOM 0 H VAL A 30 -7.398 3.036 1.177 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.235 5.072 3.367 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.353 3.425 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.731 1.004 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.208 1.607 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.488 1.361 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.724 2.359 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.394 2.856 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.397 4.087 5.641 1.00 0.00 H new ATOM 448 N GLU A 31 -4.842 5.261 3.103 1.00 0.00 N ATOM 449 CA GLU A 31 -3.421 5.491 2.944 1.00 0.00 C ATOM 450 C GLU A 31 -2.656 4.244 3.400 1.00 0.00 C ATOM 451 O GLU A 31 -2.794 3.817 4.553 1.00 0.00 O ATOM 452 CB GLU A 31 -2.950 6.657 3.812 1.00 0.00 C ATOM 453 CG GLU A 31 -3.227 8.092 3.349 1.00 0.00 C ATOM 454 CD GLU A 31 -2.345 9.073 4.165 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.176 8.746 4.489 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.840 10.138 4.611 1.00 0.00 O ATOM 0 H GLU A 31 -5.299 5.956 3.693 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.234 5.716 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.402 6.537 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.872 6.556 3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.012 8.191 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.281 8.333 3.485 1.00 0.00 H new ATOM 463 N PHE A 32 -1.842 3.693 2.503 1.00 0.00 N ATOM 464 CA PHE A 32 -0.948 2.577 2.746 1.00 0.00 C ATOM 465 C PHE A 32 0.393 3.068 3.230 1.00 0.00 C ATOM 466 O PHE A 32 0.565 3.570 4.336 1.00 0.00 O ATOM 467 CB PHE A 32 -1.021 1.539 1.595 1.00 0.00 C ATOM 468 CG PHE A 32 -0.588 0.105 1.916 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.626 -0.422 3.228 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.157 -0.740 0.872 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.143 -1.713 3.498 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.306 -2.045 1.143 1.00 0.00 C ATOM 473 CZ PHE A 32 0.343 -2.528 2.462 1.00 0.00 C ATOM 0 H PHE A 32 -1.790 4.033 1.543 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.272 1.967 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.049 1.508 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.404 1.902 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.031 0.175 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.182 -0.384 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.145 -2.083 4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.634 -2.677 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.739 -3.510 2.676 1.00 0.00 H new ATOM 483 N LEU A 33 1.346 2.849 2.376 1.00 0.00 N ATOM 484 CA LEU A 33 2.751 3.172 2.564 1.00 0.00 C ATOM 485 C LEU A 33 3.000 4.587 2.062 1.00 0.00 C ATOM 486 O LEU A 33 2.784 4.898 0.889 1.00 0.00 O ATOM 487 CB LEU A 33 3.735 2.179 1.914 1.00 0.00 C ATOM 488 CG LEU A 33 3.944 0.842 2.648 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.362 1.062 4.104 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.724 -0.042 2.464 1.00 0.00 C ATOM 0 H LEU A 33 1.166 2.414 1.471 1.00 0.00 H new ATOM 0 HA LEU A 33 2.951 3.095 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.385 1.963 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.703 2.671 1.818 1.00 0.00 H new ATOM 0 HG LEU A 33 4.781 0.302 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.501 0.097 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.297 1.622 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.586 1.624 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.877 -0.987 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.846 0.459 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.571 -0.234 1.402 1.00 0.00 H new ATOM 502 N LYS A 34 3.538 5.431 2.932 1.00 0.00 N ATOM 503 CA LYS A 34 4.074 6.744 2.620 1.00 0.00 C ATOM 504 C LYS A 34 5.597 6.677 2.608 1.00 0.00 C ATOM 505 O LYS A 34 6.193 6.163 3.557 1.00 0.00 O ATOM 506 CB LYS A 34 3.576 7.739 3.682 1.00 0.00 C ATOM 507 CG LYS A 34 2.175 8.265 3.333 1.00 0.00 C ATOM 508 CD LYS A 34 1.863 9.697 3.801 1.00 0.00 C ATOM 509 CE LYS A 34 2.800 10.721 3.147 1.00 0.00 C ATOM 510 NZ LYS A 34 2.436 12.117 3.437 1.00 0.00 N ATOM 0 H LYS A 34 3.615 5.205 3.924 1.00 0.00 H new ATOM 0 HA LYS A 34 3.739 7.074 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.553 7.253 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.273 8.574 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.050 8.221 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.436 7.592 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.829 9.942 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.959 9.755 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.819 10.541 3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.795 10.569 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.108 12.756 2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.475 12.305 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.467 12.278 4.464 1.00 0.00 H new ATOM 524 N ARG A 35 6.255 7.182 1.565 1.00 0.00 N ATOM 525 CA ARG A 35 7.695 7.421 1.575 1.00 0.00 C ATOM 526 C ARG A 35 7.961 8.740 0.879 1.00 0.00 C ATOM 527 O ARG A 35 7.764 8.837 -0.331 1.00 0.00 O ATOM 528 CB ARG A 35 8.457 6.276 0.896 1.00 0.00 C ATOM 529 CG ARG A 35 9.978 6.450 0.974 1.00 0.00 C ATOM 530 CD ARG A 35 10.755 5.416 0.142 1.00 0.00 C ATOM 531 NE ARG A 35 10.646 5.542 -1.324 1.00 0.00 N ATOM 532 CZ ARG A 35 11.018 6.547 -2.124 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.311 7.752 -1.648 1.00 0.00 N ATOM 534 NH2 ARG A 35 11.122 6.333 -3.428 1.00 0.00 N ATOM 0 H ARG A 35 5.802 7.437 0.688 1.00 0.00 H new ATOM 0 HA ARG A 35 8.051 7.466 2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.179 5.332 1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.156 6.214 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.240 7.451 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.292 6.377 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.809 5.480 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.413 4.421 0.426 1.00 0.00 H new ATOM 0 HE ARG A 35 10.224 4.743 -1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.255 7.932 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.592 8.498 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.919 5.410 -3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.405 7.092 -4.048 1.00 0.00 H new ATOM 548 N GLY A 36 8.436 9.733 1.620 1.00 0.00 N ATOM 549 CA GLY A 36 8.825 11.022 1.096 1.00 0.00 C ATOM 550 C GLY A 36 7.619 11.681 0.458 1.00 0.00 C ATOM 551 O GLY A 36 6.702 12.136 1.136 1.00 0.00 O ATOM 0 H GLY A 36 8.562 9.655 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.218 11.650 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.622 10.905 0.362 1.00 0.00 H new ATOM 555 N ASP A 37 7.588 11.671 -0.865 1.00 0.00 N ATOM 556 CA ASP A 37 6.607 12.356 -1.696 1.00 0.00 C ATOM 557 C ASP A 37 5.724 11.338 -2.435 1.00 0.00 C ATOM 558 O ASP A 37 5.081 11.674 -3.430 1.00 0.00 O ATOM 559 CB ASP A 37 7.372 13.264 -2.671 1.00 0.00 C ATOM 560 CG ASP A 37 7.918 14.551 -2.051 1.00 0.00 C ATOM 561 OD1 ASP A 37 8.655 14.494 -1.041 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.688 15.636 -2.638 1.00 0.00 O ATOM 0 H ASP A 37 8.278 11.161 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 37 5.938 12.963 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.203 12.700 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.711 13.527 -3.497 1.00 0.00 H new ATOM 567 N LYS A 38 5.725 10.078 -1.988 1.00 0.00 N ATOM 568 CA LYS A 38 5.016 8.956 -2.591 1.00 0.00 C ATOM 569 C LYS A 38 3.983 8.494 -1.583 1.00 0.00 C ATOM 570 O LYS A 38 4.307 8.403 -0.394 1.00 0.00 O ATOM 571 CB LYS A 38 6.001 7.812 -2.906 1.00 0.00 C ATOM 572 CG LYS A 38 7.186 8.200 -3.799 1.00 0.00 C ATOM 573 CD LYS A 38 6.812 8.770 -5.173 1.00 0.00 C ATOM 574 CE LYS A 38 6.067 7.772 -6.068 1.00 0.00 C ATOM 575 NZ LYS A 38 6.005 8.258 -7.458 1.00 0.00 N ATOM 0 H LYS A 38 6.247 9.805 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 38 4.542 9.252 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.388 7.418 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.452 7.003 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.792 8.936 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.812 7.320 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.191 9.655 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.720 9.095 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.569 6.805 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.058 7.618 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.496 7.566 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.505 9.169 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.970 8.381 -7.826 1.00 0.00 H new ATOM 589 N ILE A 39 2.770 8.186 -2.033 1.00 0.00 N ATOM 590 CA ILE A 39 1.698 7.661 -1.187 1.00 0.00 C ATOM 591 C ILE A 39 1.024 6.523 -1.940 1.00 0.00 C ATOM 592 O ILE A 39 0.346 6.748 -2.946 1.00 0.00 O ATOM 593 CB ILE A 39 0.679 8.738 -0.739 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.425 9.961 -0.167 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.290 8.089 0.275 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.561 11.024 0.512 1.00 0.00 C ATOM 0 H ILE A 39 2.498 8.295 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 39 2.135 7.297 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 39 0.092 9.106 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.161 9.606 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.977 10.436 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.019 8.829 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.808 7.256 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.273 7.724 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.196 11.833 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.159 11.420 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.029 10.578 1.352 1.00 0.00 H new ATOM 608 N VAL A 40 1.220 5.305 -1.441 1.00 0.00 N ATOM 609 CA VAL A 40 0.433 4.157 -1.834 1.00 0.00 C ATOM 610 C VAL A 40 -0.861 4.231 -1.029 1.00 0.00 C ATOM 611 O VAL A 40 -0.846 4.640 0.132 1.00 0.00 O ATOM 612 CB VAL A 40 1.217 2.849 -1.558 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.534 1.593 -2.113 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.629 2.856 -2.150 1.00 0.00 C ATOM 0 H VAL A 40 1.937 5.094 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 40 0.212 4.159 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 40 1.251 2.814 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.140 0.717 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.451 1.483 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.426 1.685 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.124 1.912 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.570 2.982 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.200 3.679 -1.720 1.00 0.00 H new ATOM 624 N TYR A 41 -1.964 3.804 -1.623 1.00 0.00 N ATOM 625 CA TYR A 41 -3.252 3.553 -0.998 1.00 0.00 C ATOM 626 C TYR A 41 -3.522 2.053 -1.082 1.00 0.00 C ATOM 627 O TYR A 41 -2.855 1.344 -1.837 1.00 0.00 O ATOM 628 CB TYR A 41 -4.331 4.370 -1.724 1.00 0.00 C ATOM 629 CG TYR A 41 -4.257 5.851 -1.405 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.217 6.626 -1.951 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.180 6.444 -0.520 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.135 7.993 -1.652 1.00 0.00 C ATOM 633 CE2 TYR A 41 -5.095 7.811 -0.207 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.076 8.597 -0.785 1.00 0.00 C ATOM 635 OH TYR A 41 -3.998 9.930 -0.507 1.00 0.00 O ATOM 0 H TYR A 41 -1.984 3.610 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.259 3.857 0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.226 4.228 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.315 3.992 -1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.484 6.169 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.960 5.842 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.347 8.590 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.806 8.258 0.472 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.722 10.180 0.104 1.00 0.00 H new ATOM 645 N HIS A 42 -4.482 1.556 -0.311 1.00 0.00 N ATOM 646 CA HIS A 42 -5.071 0.253 -0.540 1.00 0.00 C ATOM 647 C HIS A 42 -6.585 0.391 -0.447 1.00 0.00 C ATOM 648 O HIS A 42 -7.104 1.319 0.191 1.00 0.00 O ATOM 649 CB HIS A 42 -4.460 -0.792 0.397 1.00 0.00 C ATOM 650 CG HIS A 42 -4.928 -0.775 1.831 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.099 -1.325 2.300 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.226 -0.308 2.910 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.095 -1.190 3.635 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.975 -0.579 4.061 1.00 0.00 N ATOM 0 H HIS A 42 -4.871 2.051 0.491 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.845 -0.117 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.665 -1.780 -0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.378 -0.662 0.391 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.833 -1.755 1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.264 0.183 2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.889 -1.528 4.284 1.00 0.00 H new ATOM 662 N THR A 43 -7.302 -0.514 -1.105 1.00 0.00 N ATOM 663 CA THR A 43 -8.749 -0.522 -1.055 1.00 0.00 C ATOM 664 C THR A 43 -9.191 -1.189 0.244 1.00 0.00 C ATOM 665 O THR A 43 -8.510 -2.075 0.773 1.00 0.00 O ATOM 666 CB THR A 43 -9.313 -1.192 -2.319 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.783 -2.479 -2.536 1.00 0.00 O ATOM 668 CG2 THR A 43 -8.940 -0.356 -3.545 1.00 0.00 C ATOM 0 H THR A 43 -6.897 -1.252 -1.680 1.00 0.00 H new ATOM 0 HA THR A 43 -9.150 0.492 -1.049 1.00 0.00 H new ATOM 0 HB THR A 43 -10.391 -1.267 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.413 -3.152 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.339 -0.829 -4.443 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.360 0.645 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.855 -0.288 -3.622 1.00 0.00 H new ATOM 676 N LEU A 44 -10.350 -0.772 0.753 1.00 0.00 N ATOM 677 CA LEU A 44 -10.944 -1.356 1.951 1.00 0.00 C ATOM 678 C LEU A 44 -11.427 -2.789 1.733 1.00 0.00 C ATOM 679 O LEU A 44 -11.730 -3.471 2.712 1.00 0.00 O ATOM 680 CB LEU A 44 -12.131 -0.502 2.424 1.00 0.00 C ATOM 681 CG LEU A 44 -11.803 0.954 2.798 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.082 1.693 3.204 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.770 1.068 3.911 1.00 0.00 C ATOM 0 H LEU A 44 -10.903 -0.019 0.344 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.159 -1.377 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.885 -0.494 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.581 -0.987 3.290 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.367 1.413 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.839 2.723 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.785 1.687 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.532 1.196 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.583 2.120 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.145 0.574 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.842 0.592 3.596 1.00 0.00 H new ATOM 695 N GLU A 45 -11.554 -3.240 0.487 1.00 0.00 N ATOM 696 CA GLU A 45 -12.132 -4.533 0.139 1.00 0.00 C ATOM 697 C GLU A 45 -11.318 -5.231 -0.954 1.00 0.00 C ATOM 698 O GLU A 45 -10.464 -4.602 -1.592 1.00 0.00 O ATOM 699 CB GLU A 45 -13.596 -4.327 -0.276 1.00 0.00 C ATOM 700 CG GLU A 45 -14.473 -4.041 0.952 1.00 0.00 C ATOM 701 CD GLU A 45 -15.957 -4.081 0.602 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.506 -3.037 0.172 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.566 -5.163 0.782 1.00 0.00 O ATOM 0 H GLU A 45 -11.251 -2.704 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.102 -5.191 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.666 -3.498 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.962 -5.215 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.262 -4.775 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.221 -3.062 1.360 1.00 0.00 H new ATOM 710 N SER A 46 -11.574 -6.534 -1.130 1.00 0.00 N ATOM 711 CA SER A 46 -10.836 -7.423 -2.012 1.00 0.00 C ATOM 712 C SER A 46 -11.244 -7.253 -3.491 1.00 0.00 C ATOM 713 O SER A 46 -12.387 -6.882 -3.775 1.00 0.00 O ATOM 714 CB SER A 46 -10.964 -8.873 -1.511 1.00 0.00 C ATOM 715 OG SER A 46 -12.251 -9.207 -1.010 1.00 0.00 O ATOM 0 H SER A 46 -12.332 -7.008 -0.639 1.00 0.00 H new ATOM 0 HA SER A 46 -9.781 -7.151 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.718 -9.551 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.227 -9.040 -0.726 1.00 0.00 H new ATOM 0 HG SER A 46 -12.254 -10.141 -0.713 1.00 0.00 H new ATOM 721 N PRO A 47 -10.355 -7.591 -4.451 1.00 0.00 N ATOM 722 CA PRO A 47 -8.921 -7.709 -4.219 1.00 0.00 C ATOM 723 C PRO A 47 -8.405 -6.365 -3.750 1.00 0.00 C ATOM 724 O PRO A 47 -8.896 -5.322 -4.186 1.00 0.00 O ATOM 725 CB PRO A 47 -8.310 -8.109 -5.553 1.00 0.00 C ATOM 726 CG PRO A 47 -9.261 -7.509 -6.582 1.00 0.00 C ATOM 727 CD PRO A 47 -10.621 -7.522 -5.884 1.00 0.00 C ATOM 0 HA PRO A 47 -8.668 -8.448 -3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.300 -7.715 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.243 -9.192 -5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.964 -6.497 -6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.278 -8.097 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.191 -6.626 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.215 -8.376 -6.209 1.00 0.00 H new ATOM 735 N VAL A 48 -7.491 -6.413 -2.788 1.00 0.00 N ATOM 736 CA VAL A 48 -6.971 -5.195 -2.232 1.00 0.00 C ATOM 737 C VAL A 48 -5.994 -4.685 -3.272 1.00 0.00 C ATOM 738 O VAL A 48 -4.939 -5.275 -3.502 1.00 0.00 O ATOM 739 CB VAL A 48 -6.399 -5.395 -0.839 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.715 -4.116 -0.373 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.499 -5.773 0.159 1.00 0.00 C ATOM 0 H VAL A 48 -7.108 -7.271 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.740 -4.445 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.675 -6.208 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.307 -4.265 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.908 -3.864 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.440 -3.303 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.062 -5.910 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.243 -4.978 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.976 -6.700 -0.159 1.00 0.00 H new ATOM 751 N GLU A 49 -6.419 -3.653 -3.978 1.00 0.00 N ATOM 752 CA GLU A 49 -5.639 -3.050 -5.031 1.00 0.00 C ATOM 753 C GLU A 49 -4.876 -1.893 -4.430 1.00 0.00 C ATOM 754 O GLU A 49 -5.409 -1.123 -3.628 1.00 0.00 O ATOM 755 CB GLU A 49 -6.532 -2.616 -6.192 1.00 0.00 C ATOM 756 CG GLU A 49 -7.078 -3.867 -6.887 1.00 0.00 C ATOM 757 CD GLU A 49 -7.418 -3.621 -8.348 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.531 -3.143 -8.665 1.00 0.00 O ATOM 759 OE2 GLU A 49 -6.583 -3.957 -9.220 1.00 0.00 O ATOM 0 H GLU A 49 -7.325 -3.209 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.934 -3.768 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.353 -1.998 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.965 -2.009 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.341 -4.667 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.970 -4.210 -6.363 1.00 0.00 H new ATOM 766 N PHE A 50 -3.618 -1.784 -4.826 1.00 0.00 N ATOM 767 CA PHE A 50 -2.654 -0.921 -4.185 1.00 0.00 C ATOM 768 C PHE A 50 -2.332 0.193 -5.157 1.00 0.00 C ATOM 769 O PHE A 50 -1.520 -0.010 -6.052 1.00 0.00 O ATOM 770 CB PHE A 50 -1.404 -1.725 -3.844 1.00 0.00 C ATOM 771 CG PHE A 50 -1.620 -2.934 -2.952 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.799 -2.768 -1.568 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.602 -4.234 -3.493 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.918 -3.887 -0.726 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.713 -5.352 -2.655 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.871 -5.180 -1.270 1.00 0.00 C ATOM 0 H PHE A 50 -3.237 -2.304 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.046 -0.503 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.946 -2.061 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.689 -1.061 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.845 -1.774 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.502 -4.370 -4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.045 -3.752 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.677 -6.347 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.956 -6.042 -0.624 1.00 0.00 H new ATOM 786 N HIS A 51 -3.023 1.324 -5.085 1.00 0.00 N ATOM 787 CA HIS A 51 -2.731 2.403 -6.020 1.00 0.00 C ATOM 788 C HIS A 51 -1.531 3.179 -5.492 1.00 0.00 C ATOM 789 O HIS A 51 -1.346 3.279 -4.284 1.00 0.00 O ATOM 790 CB HIS A 51 -3.910 3.353 -6.235 1.00 0.00 C ATOM 791 CG HIS A 51 -5.295 2.756 -6.264 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.445 3.382 -5.833 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.628 1.485 -6.636 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.461 2.512 -5.958 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.005 1.346 -6.453 1.00 0.00 N ATOM 0 H HIS A 51 -3.766 1.515 -4.413 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.521 1.956 -6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.885 4.103 -5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.751 3.877 -7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.951 0.728 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.489 2.717 -5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.562 0.516 -6.656 1.00 0.00 H new ATOM 803 N LEU A 52 -0.763 3.809 -6.369 1.00 0.00 N ATOM 804 CA LEU A 52 0.323 4.720 -6.009 1.00 0.00 C ATOM 805 C LEU A 52 0.334 5.829 -7.026 1.00 0.00 C ATOM 806 O LEU A 52 0.340 5.509 -8.213 1.00 0.00 O ATOM 807 CB LEU A 52 1.672 3.988 -6.059 1.00 0.00 C ATOM 808 CG LEU A 52 2.922 4.892 -5.980 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.984 5.733 -4.704 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.192 4.040 -6.067 1.00 0.00 C ATOM 0 H LEU A 52 -0.878 3.701 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 52 0.172 5.103 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.709 3.274 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.719 3.412 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 52 2.852 5.579 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.887 6.344 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.109 6.380 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.001 5.075 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.068 4.686 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.211 3.330 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.202 3.497 -7.012 1.00 0.00 H new ATOM 822 N ASP A 53 0.390 7.088 -6.573 1.00 0.00 N ATOM 823 CA ASP A 53 0.479 8.305 -7.387 1.00 0.00 C ATOM 824 C ASP A 53 -0.852 8.512 -8.093 1.00 0.00 C ATOM 825 O ASP A 53 -1.651 9.360 -7.688 1.00 0.00 O ATOM 826 CB ASP A 53 1.745 8.261 -8.263 1.00 0.00 C ATOM 827 CG ASP A 53 1.904 9.412 -9.249 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.434 10.541 -8.966 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.631 9.208 -10.253 1.00 0.00 O ATOM 0 H ASP A 53 0.373 7.295 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 53 0.621 9.206 -6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.617 8.243 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.746 7.325 -8.822 1.00 0.00 H new ATOM 834 N GLY A 54 -1.198 7.587 -8.970 1.00 0.00 N ATOM 835 CA GLY A 54 -2.576 7.249 -9.232 1.00 0.00 C ATOM 836 C GLY A 54 -2.733 5.959 -10.024 1.00 0.00 C ATOM 837 O GLY A 54 -3.846 5.637 -10.447 1.00 0.00 O ATOM 0 H GLY A 54 -0.526 7.051 -9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.107 7.154 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.046 8.065 -9.781 1.00 0.00 H new ATOM 841 N GLU A 55 -1.653 5.203 -10.190 1.00 0.00 N ATOM 842 CA GLU A 55 -1.592 3.953 -10.913 1.00 0.00 C ATOM 843 C GLU A 55 -1.918 2.859 -9.927 1.00 0.00 C ATOM 844 O GLU A 55 -1.279 2.731 -8.888 1.00 0.00 O ATOM 845 CB GLU A 55 -0.186 3.732 -11.476 1.00 0.00 C ATOM 846 CG GLU A 55 -0.087 4.409 -12.838 1.00 0.00 C ATOM 847 CD GLU A 55 1.363 4.521 -13.284 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.941 3.482 -13.689 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.945 5.623 -13.210 1.00 0.00 O ATOM 0 H GLU A 55 -0.749 5.468 -9.798 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.293 3.958 -11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.561 4.142 -10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.019 2.666 -11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.655 3.840 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.534 5.402 -12.789 1.00 0.00 H new ATOM 856 N VAL A 56 -2.927 2.076 -10.261 1.00 0.00 N ATOM 857 CA VAL A 56 -3.154 0.790 -9.629 1.00 0.00 C ATOM 858 C VAL A 56 -1.892 -0.064 -9.845 1.00 0.00 C ATOM 859 O VAL A 56 -1.424 -0.203 -10.982 1.00 0.00 O ATOM 860 CB VAL A 56 -4.407 0.122 -10.228 1.00 0.00 C ATOM 861 CG1 VAL A 56 -4.742 -1.139 -9.428 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.624 1.067 -10.239 1.00 0.00 C ATOM 0 H VAL A 56 -3.612 2.314 -10.978 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.335 0.903 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.183 -0.133 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.628 -1.613 -9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.903 -1.833 -9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.934 -0.871 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.482 0.551 -10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.858 1.370 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.394 1.949 -10.836 1.00 0.00 H new ATOM 872 N LEU A 57 -1.324 -0.609 -8.770 1.00 0.00 N ATOM 873 CA LEU A 57 -0.176 -1.505 -8.809 1.00 0.00 C ATOM 874 C LEU A 57 -0.651 -2.906 -8.447 1.00 0.00 C ATOM 875 O LEU A 57 -1.630 -3.071 -7.713 1.00 0.00 O ATOM 876 CB LEU A 57 0.919 -1.063 -7.824 1.00 0.00 C ATOM 877 CG LEU A 57 1.275 0.438 -7.829 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.301 0.676 -6.713 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.779 0.919 -9.198 1.00 0.00 C ATOM 0 H LEU A 57 -1.661 -0.433 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 57 0.253 -1.486 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.605 -1.337 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.824 -1.630 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 57 0.379 1.029 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.575 1.731 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.868 0.392 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.190 0.075 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.015 1.982 -9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.674 0.361 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.006 0.756 -9.948 1.00 0.00 H new ATOM 891 N SER A 58 0.077 -3.908 -8.933 1.00 0.00 N ATOM 892 CA SER A 58 -0.189 -5.310 -8.630 1.00 0.00 C ATOM 893 C SER A 58 0.504 -5.662 -7.306 1.00 0.00 C ATOM 894 O SER A 58 1.425 -4.954 -6.901 1.00 0.00 O ATOM 895 CB SER A 58 0.302 -6.193 -9.791 1.00 0.00 C ATOM 896 OG SER A 58 0.300 -5.501 -11.039 1.00 0.00 O ATOM 0 H SER A 58 0.875 -3.768 -9.553 1.00 0.00 H new ATOM 0 HA SER A 58 -1.259 -5.487 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.311 -6.544 -9.575 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.333 -7.075 -9.867 1.00 0.00 H new ATOM 0 HG SER A 58 0.620 -6.100 -11.746 1.00 0.00 H new ATOM 902 N LEU A 59 0.143 -6.766 -6.649 1.00 0.00 N ATOM 903 CA LEU A 59 0.711 -7.169 -5.354 1.00 0.00 C ATOM 904 C LEU A 59 2.203 -7.429 -5.489 1.00 0.00 C ATOM 905 O LEU A 59 3.013 -6.920 -4.719 1.00 0.00 O ATOM 906 CB LEU A 59 -0.030 -8.426 -4.853 1.00 0.00 C ATOM 907 CG LEU A 59 0.647 -9.178 -3.685 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.844 -8.302 -2.449 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.194 -10.391 -3.283 1.00 0.00 C ATOM 0 H LEU A 59 -0.560 -7.415 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 59 0.582 -6.367 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.033 -8.135 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.144 -9.116 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 59 1.629 -9.483 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.324 -8.885 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.473 -7.449 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.124 -7.946 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.292 -10.914 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.184 -10.060 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.290 -11.065 -4.134 1.00 0.00 H new ATOM 921 N ASP A 60 2.548 -8.240 -6.481 1.00 0.00 N ATOM 922 CA ASP A 60 3.922 -8.607 -6.791 1.00 0.00 C ATOM 923 C ASP A 60 4.708 -7.346 -7.129 1.00 0.00 C ATOM 924 O ASP A 60 5.786 -7.096 -6.579 1.00 0.00 O ATOM 925 CB ASP A 60 3.905 -9.573 -7.991 1.00 0.00 C ATOM 926 CG ASP A 60 4.505 -10.967 -7.728 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.756 -11.352 -6.560 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.692 -11.715 -8.714 1.00 0.00 O ATOM 0 H ASP A 60 1.865 -8.670 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 60 4.396 -9.096 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.874 -9.697 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.450 -9.111 -8.815 1.00 0.00 H new ATOM 933 N LYS A 61 4.130 -6.542 -8.025 1.00 0.00 N ATOM 934 CA LYS A 61 4.746 -5.352 -8.582 1.00 0.00 C ATOM 935 C LYS A 61 5.052 -4.386 -7.460 1.00 0.00 C ATOM 936 O LYS A 61 6.188 -3.944 -7.349 1.00 0.00 O ATOM 937 CB LYS A 61 3.809 -4.714 -9.625 1.00 0.00 C ATOM 938 CG LYS A 61 4.608 -4.156 -10.801 1.00 0.00 C ATOM 939 CD LYS A 61 3.725 -3.325 -11.749 1.00 0.00 C ATOM 940 CE LYS A 61 2.792 -4.176 -12.628 1.00 0.00 C ATOM 941 NZ LYS A 61 1.523 -3.483 -12.960 1.00 0.00 N ATOM 0 H LYS A 61 3.193 -6.713 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 61 5.677 -5.613 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.096 -5.457 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.230 -3.915 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.422 -3.536 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.062 -4.978 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.123 -2.634 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.365 -2.721 -12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.309 -4.438 -13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.567 -5.110 -12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.741 -3.919 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.598 -2.479 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.340 -3.565 -13.980 1.00 0.00 H new ATOM 955 N LEU A 62 4.051 -4.098 -6.621 1.00 0.00 N ATOM 956 CA LEU A 62 4.124 -3.195 -5.491 1.00 0.00 C ATOM 957 C LEU A 62 5.399 -3.463 -4.717 1.00 0.00 C ATOM 958 O LEU A 62 6.180 -2.536 -4.550 1.00 0.00 O ATOM 959 CB LEU A 62 2.884 -3.335 -4.598 1.00 0.00 C ATOM 960 CG LEU A 62 2.999 -2.511 -3.304 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.095 -1.005 -3.581 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.807 -2.745 -2.384 1.00 0.00 C ATOM 0 H LEU A 62 3.126 -4.515 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 62 4.144 -2.167 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.002 -3.015 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.738 -4.385 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 62 3.916 -2.849 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.174 -0.466 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.976 -0.802 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.203 -0.675 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.922 -2.147 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.890 -2.455 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.755 -3.800 -2.117 1.00 0.00 H new ATOM 974 N LYS A 63 5.636 -4.705 -4.277 1.00 0.00 N ATOM 975 CA LYS A 63 6.841 -4.990 -3.495 1.00 0.00 C ATOM 976 C LYS A 63 8.101 -4.529 -4.226 1.00 0.00 C ATOM 977 O LYS A 63 8.902 -3.802 -3.644 1.00 0.00 O ATOM 978 CB LYS A 63 6.968 -6.476 -3.158 1.00 0.00 C ATOM 979 CG LYS A 63 5.783 -7.018 -2.358 1.00 0.00 C ATOM 980 CD LYS A 63 6.097 -8.458 -1.963 1.00 0.00 C ATOM 981 CE LYS A 63 4.830 -9.168 -1.503 1.00 0.00 C ATOM 982 NZ LYS A 63 5.099 -10.590 -1.217 1.00 0.00 N ATOM 0 H LYS A 63 5.028 -5.507 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 63 6.741 -4.431 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.063 -7.044 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.884 -6.636 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.612 -6.409 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.871 -6.977 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.532 -8.988 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.839 -8.470 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.439 -8.681 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.062 -9.086 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.222 -11.053 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.450 -11.057 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.815 -10.664 -0.466 1.00 0.00 H new ATOM 996 N SER A 64 8.231 -4.896 -5.504 1.00 0.00 N ATOM 997 CA SER A 64 9.346 -4.486 -6.346 1.00 0.00 C ATOM 998 C SER A 64 9.465 -2.959 -6.364 1.00 0.00 C ATOM 999 O SER A 64 10.571 -2.435 -6.262 1.00 0.00 O ATOM 1000 CB SER A 64 9.182 -5.054 -7.765 1.00 0.00 C ATOM 1001 OG SER A 64 10.397 -5.022 -8.493 1.00 0.00 O ATOM 0 H SER A 64 7.556 -5.492 -5.983 1.00 0.00 H new ATOM 0 HA SER A 64 10.270 -4.888 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.822 -6.081 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.424 -4.481 -8.299 1.00 0.00 H new ATOM 0 HG SER A 64 10.252 -5.393 -9.388 1.00 0.00 H new ATOM 1007 N LEU A 65 8.351 -2.239 -6.516 1.00 0.00 N ATOM 1008 CA LEU A 65 8.343 -0.781 -6.620 1.00 0.00 C ATOM 1009 C LEU A 65 8.695 -0.092 -5.299 1.00 0.00 C ATOM 1010 O LEU A 65 9.066 1.083 -5.319 1.00 0.00 O ATOM 1011 CB LEU A 65 6.968 -0.268 -7.083 1.00 0.00 C ATOM 1012 CG LEU A 65 6.442 -0.786 -8.437 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.275 0.098 -8.848 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.505 -0.798 -9.539 1.00 0.00 C ATOM 0 H LEU A 65 7.422 -2.657 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 65 9.108 -0.532 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.236 -0.523 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.012 0.820 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 65 6.136 -1.824 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.879 -0.243 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.492 0.043 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.615 1.129 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.066 -1.174 -10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.875 0.215 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.331 -1.444 -9.241 1.00 0.00 H new ATOM 1026 N LEU A 66 8.541 -0.782 -4.167 1.00 0.00 N ATOM 1027 CA LEU A 66 8.883 -0.276 -2.839 1.00 0.00 C ATOM 1028 C LEU A 66 10.338 -0.591 -2.480 1.00 0.00 C ATOM 1029 O LEU A 66 10.832 -0.054 -1.488 1.00 0.00 O ATOM 1030 CB LEU A 66 7.970 -0.917 -1.784 1.00 0.00 C ATOM 1031 CG LEU A 66 6.467 -0.637 -1.950 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.662 -1.590 -1.080 1.00 0.00 C ATOM 1033 CD2 LEU A 66 6.053 0.764 -1.552 1.00 0.00 C ATOM 0 H LEU A 66 8.166 -1.730 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 66 8.747 0.805 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.125 -1.996 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.280 -0.567 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 66 6.270 -0.769 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.599 -1.385 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.870 -2.618 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.939 -1.451 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.979 0.881 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.297 0.931 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.585 1.489 -2.168 1.00 0.00 H new ATOM 1045 N SER A 67 10.991 -1.495 -3.218 1.00 0.00 N ATOM 1046 CA SER A 67 12.374 -1.882 -3.008 1.00 0.00 C ATOM 1047 C SER A 67 13.257 -0.808 -3.613 1.00 0.00 C ATOM 1048 O SER A 67 13.940 -0.106 -2.834 1.00 0.00 O ATOM 1049 CB SER A 67 12.589 -3.282 -3.601 1.00 0.00 C ATOM 1050 OG SER A 67 13.825 -3.849 -3.184 1.00 0.00 O ATOM 0 H SER A 67 10.553 -1.986 -3.997 1.00 0.00 H new ATOM 0 HA SER A 67 12.636 -1.954 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.770 -3.934 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.565 -3.223 -4.689 1.00 0.00 H new ATOM 0 HG SER A 67 13.926 -4.740 -3.580 1.00 0.00 H new