USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 441 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 19 LYS NZ :NH3+ 156:sc= 1.24 (180deg=-0.0694) USER MOD Set 1.2: A 62 SER OG : rot 83:sc= 1.21 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -155:sc= 1.3 (180deg=0.159) USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.831 (180deg=0.522) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 160:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 81:sc= 0.0499 USER MOD Single : A 38 MET CE :methyl 162:sc= 0 (180deg=-0.145) USER MOD Single : A 39 HIS : no HD1:sc= -0.0775 X(o=-0.078,f=-0.078) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 46 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.26) USER MOD Single : A 47 TYR OH : rot 166:sc= 1.19 USER MOD Single : A 50 ASN : amide:sc= 0.166 K(o=0.17,f=-6.9!) USER MOD Single : A 52 MET CE :methyl -92:sc= -0.0816 (180deg=-0.148) USER MOD Single : A 59 ASN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.890 -14.472 17.275 1.00 10.00 N ATOM 2 CA MET A 1 -4.187 -14.352 15.970 1.00 10.00 C ATOM 3 C MET A 1 -3.521 -15.679 15.608 1.00 10.00 C ATOM 4 O MET A 1 -2.957 -16.346 16.476 1.00 10.00 O ATOM 5 CB MET A 1 -3.142 -13.215 15.959 1.00 10.00 C ATOM 6 CG MET A 1 -3.758 -11.810 15.880 1.00 10.00 C ATOM 7 SD MET A 1 -4.678 -11.247 17.343 1.00 10.00 S ATOM 8 CE MET A 1 -5.176 -9.599 16.769 1.00 10.00 C ATOM 0 H1 MET A 1 -5.028 -13.525 17.683 1.00 10.00 H new ATOM 0 H2 MET A 1 -5.815 -14.925 17.131 1.00 10.00 H new ATOM 0 H3 MET A 1 -4.319 -15.049 17.925 1.00 10.00 H new ATOM 0 HA MET A 1 -4.941 -14.101 15.224 1.00 10.00 H new ATOM 0 HB2 MET A 1 -2.533 -13.285 16.860 1.00 10.00 H new ATOM 0 HB3 MET A 1 -2.473 -13.357 15.110 1.00 10.00 H new ATOM 0 HG2 MET A 1 -2.957 -11.097 15.685 1.00 10.00 H new ATOM 0 HG3 MET A 1 -4.429 -11.779 15.022 1.00 10.00 H new ATOM 0 HE1 MET A 1 -5.756 -9.103 17.547 1.00 10.00 H new ATOM 0 HE2 MET A 1 -4.288 -9.008 16.545 1.00 10.00 H new ATOM 0 HE3 MET A 1 -5.784 -9.695 15.869 1.00 10.00 H new ATOM 20 N ASP A 2 -3.596 -16.080 14.334 1.00 10.00 N ATOM 21 CA ASP A 2 -3.059 -17.355 13.814 1.00 10.00 C ATOM 22 C ASP A 2 -2.363 -17.237 12.437 1.00 10.00 C ATOM 23 O ASP A 2 -2.221 -18.226 11.713 1.00 10.00 O ATOM 24 CB ASP A 2 -4.182 -18.414 13.810 1.00 10.00 C ATOM 25 CG ASP A 2 -5.220 -18.239 12.682 1.00 10.00 C ATOM 26 OD1 ASP A 2 -5.641 -17.091 12.395 1.00 10.00 O ATOM 27 OD2 ASP A 2 -5.654 -19.262 12.098 1.00 10.00 O ATOM 0 H ASP A 2 -4.043 -15.515 13.612 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.261 -17.670 14.487 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -3.732 -19.403 13.722 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -4.698 -18.382 14.770 1.00 10.00 H new ATOM 32 N VAL A 3 -1.925 -16.027 12.066 1.00 10.00 N ATOM 33 CA VAL A 3 -1.227 -15.745 10.793 1.00 10.00 C ATOM 34 C VAL A 3 0.129 -16.465 10.686 1.00 10.00 C ATOM 35 O VAL A 3 0.808 -16.707 11.687 1.00 10.00 O ATOM 36 CB VAL A 3 -1.054 -14.230 10.550 1.00 10.00 C ATOM 37 CG1 VAL A 3 -2.414 -13.542 10.382 1.00 10.00 C ATOM 38 CG2 VAL A 3 -0.270 -13.502 11.651 1.00 10.00 C ATOM 0 H VAL A 3 -2.045 -15.198 12.648 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.871 -16.144 10.009 1.00 10.00 H new ATOM 0 HB VAL A 3 -0.469 -14.160 9.633 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.264 -12.476 10.212 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.938 -13.975 9.530 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -3.008 -13.685 11.284 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -0.194 -12.443 11.404 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.789 -13.616 12.603 1.00 10.00 H new ATOM 0 HG23 VAL A 3 0.730 -13.929 11.729 1.00 10.00 H new ATOM 48 N GLU A 4 0.533 -16.805 9.458 1.00 10.00 N ATOM 49 CA GLU A 4 1.782 -17.529 9.149 1.00 10.00 C ATOM 50 C GLU A 4 2.348 -17.089 7.778 1.00 10.00 C ATOM 51 O GLU A 4 2.691 -17.899 6.917 1.00 10.00 O ATOM 52 CB GLU A 4 1.518 -19.048 9.268 1.00 10.00 C ATOM 53 CG GLU A 4 2.806 -19.863 9.477 1.00 10.00 C ATOM 54 CD GLU A 4 2.565 -21.373 9.708 1.00 10.00 C ATOM 55 OE1 GLU A 4 1.473 -21.785 10.172 1.00 10.00 O ATOM 56 OE2 GLU A 4 3.507 -22.166 9.456 1.00 10.00 O ATOM 0 H GLU A 4 -0.011 -16.581 8.625 1.00 10.00 H new ATOM 0 HA GLU A 4 2.562 -17.280 9.868 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.839 -19.230 10.101 1.00 10.00 H new ATOM 0 HB3 GLU A 4 1.015 -19.396 8.366 1.00 10.00 H new ATOM 0 HG2 GLU A 4 3.449 -19.737 8.606 1.00 10.00 H new ATOM 0 HG3 GLU A 4 3.346 -19.457 10.332 1.00 10.00 H new ATOM 63 N PHE A 5 2.411 -15.770 7.553 1.00 10.00 N ATOM 64 CA PHE A 5 2.831 -15.099 6.305 1.00 10.00 C ATOM 65 C PHE A 5 4.275 -15.322 5.802 1.00 10.00 C ATOM 66 O PHE A 5 4.726 -14.667 4.860 1.00 10.00 O ATOM 67 CB PHE A 5 2.468 -13.605 6.404 1.00 10.00 C ATOM 68 CG PHE A 5 3.166 -12.851 7.525 1.00 10.00 C ATOM 69 CD1 PHE A 5 4.481 -12.373 7.353 1.00 10.00 C ATOM 70 CD2 PHE A 5 2.503 -12.627 8.749 1.00 10.00 C ATOM 71 CE1 PHE A 5 5.132 -11.695 8.400 1.00 10.00 C ATOM 72 CE2 PHE A 5 3.154 -11.949 9.795 1.00 10.00 C ATOM 73 CZ PHE A 5 4.470 -11.485 9.622 1.00 10.00 C ATOM 0 H PHE A 5 2.156 -15.099 8.277 1.00 10.00 H new ATOM 0 HA PHE A 5 2.270 -15.601 5.517 1.00 10.00 H new ATOM 0 HB2 PHE A 5 2.709 -13.124 5.456 1.00 10.00 H new ATOM 0 HB3 PHE A 5 1.390 -13.516 6.541 1.00 10.00 H new ATOM 0 HD1 PHE A 5 4.991 -12.528 6.414 1.00 10.00 H new ATOM 0 HD2 PHE A 5 1.490 -12.978 8.884 1.00 10.00 H new ATOM 0 HE1 PHE A 5 6.141 -11.336 8.265 1.00 10.00 H new ATOM 0 HE2 PHE A 5 2.643 -11.785 10.732 1.00 10.00 H new ATOM 0 HZ PHE A 5 4.971 -10.968 10.427 1.00 10.00 H new ATOM 83 N LYS A 6 4.983 -16.296 6.375 1.00 10.00 N ATOM 84 CA LYS A 6 6.344 -16.739 5.985 1.00 10.00 C ATOM 85 C LYS A 6 6.401 -17.669 4.763 1.00 10.00 C ATOM 86 O LYS A 6 7.466 -18.127 4.347 1.00 10.00 O ATOM 87 CB LYS A 6 7.041 -17.380 7.191 1.00 10.00 C ATOM 88 CG LYS A 6 6.349 -18.650 7.717 1.00 10.00 C ATOM 89 CD LYS A 6 7.210 -19.346 8.784 1.00 10.00 C ATOM 90 CE LYS A 6 6.426 -20.441 9.517 1.00 10.00 C ATOM 91 NZ LYS A 6 6.098 -21.603 8.651 1.00 10.00 N ATOM 0 H LYS A 6 4.615 -16.830 7.162 1.00 10.00 H new ATOM 0 HA LYS A 6 6.873 -15.839 5.669 1.00 10.00 H new ATOM 0 HB2 LYS A 6 8.067 -17.626 6.915 1.00 10.00 H new ATOM 0 HB3 LYS A 6 7.094 -16.648 7.997 1.00 10.00 H new ATOM 0 HG2 LYS A 6 5.379 -18.391 8.140 1.00 10.00 H new ATOM 0 HG3 LYS A 6 6.163 -19.336 6.890 1.00 10.00 H new ATOM 0 HD2 LYS A 6 8.091 -19.782 8.313 1.00 10.00 H new ATOM 0 HD3 LYS A 6 7.565 -18.608 9.504 1.00 10.00 H new ATOM 0 HE2 LYS A 6 7.008 -20.786 10.372 1.00 10.00 H new ATOM 0 HE3 LYS A 6 5.502 -20.017 9.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 5.255 -22.086 9.023 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 5.909 -21.272 7.683 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 6.900 -22.265 8.640 1.00 10.00 H new ATOM 105 N CYS A 7 5.215 -17.914 4.234 1.00 10.00 N ATOM 106 CA CYS A 7 4.817 -18.739 3.099 1.00 10.00 C ATOM 107 C CYS A 7 5.628 -20.042 2.944 1.00 10.00 C ATOM 108 O CYS A 7 6.578 -20.151 2.162 1.00 10.00 O ATOM 109 CB CYS A 7 4.722 -17.858 1.857 1.00 10.00 C ATOM 110 SG CYS A 7 3.717 -18.713 0.610 1.00 10.00 S ATOM 0 H CYS A 7 4.391 -17.478 4.648 1.00 10.00 H new ATOM 0 HA CYS A 7 3.821 -19.142 3.283 1.00 10.00 H new ATOM 0 HB2 CYS A 7 4.274 -16.897 2.109 1.00 10.00 H new ATOM 0 HB3 CYS A 7 5.717 -17.652 1.463 1.00 10.00 H new ATOM 115 N THR A 8 5.244 -21.031 3.754 1.00 10.00 N ATOM 116 CA THR A 8 5.850 -22.369 3.846 1.00 10.00 C ATOM 117 C THR A 8 5.806 -23.164 2.527 1.00 10.00 C ATOM 118 O THR A 8 6.663 -24.024 2.305 1.00 10.00 O ATOM 119 CB THR A 8 5.133 -23.168 4.950 1.00 10.00 C ATOM 120 OG1 THR A 8 4.935 -22.361 6.099 1.00 10.00 O ATOM 121 CG2 THR A 8 5.913 -24.394 5.422 1.00 10.00 C ATOM 0 H THR A 8 4.462 -20.918 4.399 1.00 10.00 H new ATOM 0 HA THR A 8 6.904 -22.223 4.081 1.00 10.00 H new ATOM 0 HB THR A 8 4.194 -23.488 4.498 1.00 10.00 H new ATOM 0 HG1 THR A 8 4.477 -22.883 6.790 1.00 10.00 H new ATOM 0 HG21 THR A 8 5.348 -24.908 6.200 1.00 10.00 H new ATOM 0 HG22 THR A 8 6.071 -25.070 4.582 1.00 10.00 H new ATOM 0 HG23 THR A 8 6.877 -24.080 5.822 1.00 10.00 H new ATOM 129 N CYS A 9 4.832 -22.883 1.651 1.00 10.00 N ATOM 130 CA CYS A 9 4.645 -23.527 0.350 1.00 10.00 C ATOM 131 C CYS A 9 5.457 -22.839 -0.785 1.00 10.00 C ATOM 132 O CYS A 9 6.578 -22.372 -0.556 1.00 10.00 O ATOM 133 CB CYS A 9 3.132 -23.664 0.101 1.00 10.00 C ATOM 134 SG CYS A 9 2.314 -22.058 -0.116 1.00 10.00 S ATOM 0 H CYS A 9 4.126 -22.172 1.840 1.00 10.00 H new ATOM 0 HA CYS A 9 5.067 -24.532 0.353 1.00 10.00 H new ATOM 0 HB2 CYS A 9 2.967 -24.275 -0.787 1.00 10.00 H new ATOM 0 HB3 CYS A 9 2.675 -24.190 0.939 1.00 10.00 H new ATOM 139 N SER A 10 4.914 -22.804 -2.010 1.00 10.00 N ATOM 140 CA SER A 10 5.564 -22.254 -3.212 1.00 10.00 C ATOM 141 C SER A 10 4.606 -21.485 -4.129 1.00 10.00 C ATOM 142 O SER A 10 3.383 -21.638 -4.058 1.00 10.00 O ATOM 143 CB SER A 10 6.211 -23.391 -4.025 1.00 10.00 C ATOM 144 OG SER A 10 7.206 -24.078 -3.280 1.00 10.00 O ATOM 0 H SER A 10 3.981 -23.169 -2.200 1.00 10.00 H new ATOM 0 HA SER A 10 6.312 -21.548 -2.853 1.00 10.00 H new ATOM 0 HB2 SER A 10 5.441 -24.096 -4.338 1.00 10.00 H new ATOM 0 HB3 SER A 10 6.656 -22.981 -4.932 1.00 10.00 H new ATOM 0 HG SER A 10 7.591 -24.792 -3.829 1.00 10.00 H new ATOM 150 N ARG A 11 5.182 -20.690 -5.045 1.00 10.00 N ATOM 151 CA ARG A 11 4.462 -19.850 -6.026 1.00 10.00 C ATOM 152 C ARG A 11 3.460 -20.610 -6.882 1.00 10.00 C ATOM 153 O ARG A 11 2.414 -20.086 -7.242 1.00 10.00 O ATOM 154 CB ARG A 11 5.483 -19.136 -6.927 1.00 10.00 C ATOM 155 CG ARG A 11 6.297 -20.017 -7.899 1.00 10.00 C ATOM 156 CD ARG A 11 7.289 -19.191 -8.730 1.00 10.00 C ATOM 157 NE ARG A 11 8.393 -18.641 -7.915 1.00 10.00 N ATOM 158 CZ ARG A 11 9.298 -17.761 -8.307 1.00 10.00 C ATOM 159 NH1 ARG A 11 9.304 -17.258 -9.510 1.00 10.00 N ATOM 160 NH2 ARG A 11 10.231 -17.366 -7.489 1.00 10.00 N ATOM 0 H ARG A 11 6.195 -20.609 -5.129 1.00 10.00 H new ATOM 0 HA ARG A 11 3.877 -19.133 -5.450 1.00 10.00 H new ATOM 0 HB2 ARG A 11 4.951 -18.387 -7.513 1.00 10.00 H new ATOM 0 HB3 ARG A 11 6.184 -18.601 -6.287 1.00 10.00 H new ATOM 0 HG2 ARG A 11 6.840 -20.774 -7.334 1.00 10.00 H new ATOM 0 HG3 ARG A 11 5.616 -20.545 -8.567 1.00 10.00 H new ATOM 0 HD2 ARG A 11 7.703 -19.816 -9.521 1.00 10.00 H new ATOM 0 HD3 ARG A 11 6.758 -18.372 -9.215 1.00 10.00 H new ATOM 0 HE ARG A 11 8.463 -18.974 -6.954 1.00 10.00 H new ATOM 0 HH11 ARG A 11 8.594 -17.542 -10.185 1.00 10.00 H new ATOM 0 HH12 ARG A 11 10.019 -16.581 -9.776 1.00 10.00 H new ATOM 0 HH21 ARG A 11 10.267 -17.736 -6.539 1.00 10.00 H new ATOM 0 HH22 ARG A 11 10.926 -16.687 -7.798 1.00 10.00 H new ATOM 174 N GLU A 12 3.791 -21.857 -7.183 1.00 10.00 N ATOM 175 CA GLU A 12 2.992 -22.775 -8.007 1.00 10.00 C ATOM 176 C GLU A 12 1.568 -22.982 -7.457 1.00 10.00 C ATOM 177 O GLU A 12 0.617 -23.040 -8.238 1.00 10.00 O ATOM 178 CB GLU A 12 3.740 -24.112 -8.119 1.00 10.00 C ATOM 179 CG GLU A 12 3.150 -25.034 -9.195 1.00 10.00 C ATOM 180 CD GLU A 12 3.991 -26.317 -9.342 1.00 10.00 C ATOM 181 OE1 GLU A 12 4.963 -26.324 -10.137 1.00 10.00 O ATOM 182 OE2 GLU A 12 3.685 -27.331 -8.667 1.00 10.00 O ATOM 0 H GLU A 12 4.657 -22.282 -6.850 1.00 10.00 H new ATOM 0 HA GLU A 12 2.868 -22.331 -8.995 1.00 10.00 H new ATOM 0 HB2 GLU A 12 4.788 -23.919 -8.347 1.00 10.00 H new ATOM 0 HB3 GLU A 12 3.712 -24.621 -7.155 1.00 10.00 H new ATOM 0 HG2 GLU A 12 2.124 -25.295 -8.934 1.00 10.00 H new ATOM 0 HG3 GLU A 12 3.112 -24.508 -10.149 1.00 10.00 H new ATOM 189 N ARG A 13 1.385 -23.022 -6.128 1.00 10.00 N ATOM 190 CA ARG A 13 0.047 -23.119 -5.508 1.00 10.00 C ATOM 191 C ARG A 13 -0.769 -21.843 -5.737 1.00 10.00 C ATOM 192 O ARG A 13 -1.947 -21.927 -6.086 1.00 10.00 O ATOM 193 CB ARG A 13 0.160 -23.468 -4.013 1.00 10.00 C ATOM 194 CG ARG A 13 0.312 -24.986 -3.825 1.00 10.00 C ATOM 195 CD ARG A 13 0.401 -25.362 -2.341 1.00 10.00 C ATOM 196 NE ARG A 13 0.304 -26.822 -2.135 1.00 10.00 N ATOM 197 CZ ARG A 13 1.251 -27.732 -2.288 1.00 10.00 C ATOM 198 NH1 ARG A 13 2.460 -27.431 -2.673 1.00 10.00 N ATOM 199 NH2 ARG A 13 0.996 -28.988 -2.055 1.00 10.00 N ATOM 0 H ARG A 13 2.151 -22.989 -5.455 1.00 10.00 H new ATOM 0 HA ARG A 13 -0.493 -23.932 -5.994 1.00 10.00 H new ATOM 0 HB2 ARG A 13 1.017 -22.954 -3.577 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -0.726 -23.117 -3.483 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -0.536 -25.497 -4.281 1.00 10.00 H new ATOM 0 HG3 ARG A 13 1.207 -25.330 -4.343 1.00 10.00 H new ATOM 0 HD2 ARG A 13 1.343 -24.999 -1.931 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -0.398 -24.864 -1.792 1.00 10.00 H new ATOM 0 HE ARG A 13 -0.607 -27.171 -1.838 1.00 10.00 H new ATOM 0 HH11 ARG A 13 2.706 -26.461 -2.869 1.00 10.00 H new ATOM 0 HH12 ARG A 13 3.160 -28.166 -2.778 1.00 10.00 H new ATOM 0 HH21 ARG A 13 0.064 -29.272 -1.754 1.00 10.00 H new ATOM 0 HH22 ARG A 13 1.729 -29.688 -2.174 1.00 10.00 H new ATOM 213 N CYS A 14 -0.145 -20.668 -5.612 1.00 10.00 N ATOM 214 CA CYS A 14 -0.797 -19.388 -5.922 1.00 10.00 C ATOM 215 C CYS A 14 -1.127 -19.286 -7.429 1.00 10.00 C ATOM 216 O CYS A 14 -2.222 -18.870 -7.814 1.00 10.00 O ATOM 217 CB CYS A 14 0.116 -18.242 -5.466 1.00 10.00 C ATOM 218 SG CYS A 14 -0.820 -16.684 -5.495 1.00 10.00 S ATOM 0 H CYS A 14 0.820 -20.575 -5.295 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.744 -19.321 -5.386 1.00 10.00 H new ATOM 0 HB2 CYS A 14 0.490 -18.437 -4.461 1.00 10.00 H new ATOM 0 HB3 CYS A 14 0.985 -18.171 -6.121 1.00 10.00 H new ATOM 0 HG CYS A 14 -0.231 -15.810 -4.735 1.00 10.00 H new ATOM 224 N ALA A 15 -0.197 -19.720 -8.285 1.00 10.00 N ATOM 225 CA ALA A 15 -0.348 -19.739 -9.740 1.00 10.00 C ATOM 226 C ALA A 15 -1.509 -20.646 -10.193 1.00 10.00 C ATOM 227 O ALA A 15 -2.295 -20.254 -11.055 1.00 10.00 O ATOM 228 CB ALA A 15 0.975 -20.194 -10.363 1.00 10.00 C ATOM 0 H ALA A 15 0.706 -20.077 -7.974 1.00 10.00 H new ATOM 0 HA ALA A 15 -0.595 -18.733 -10.079 1.00 10.00 H new ATOM 0 HB1 ALA A 15 0.878 -20.213 -11.449 1.00 10.00 H new ATOM 0 HB2 ALA A 15 1.767 -19.500 -10.082 1.00 10.00 H new ATOM 0 HB3 ALA A 15 1.222 -21.193 -10.003 1.00 10.00 H new ATOM 234 N ASP A 16 -1.653 -21.835 -9.596 1.00 10.00 N ATOM 235 CA ASP A 16 -2.749 -22.770 -9.884 1.00 10.00 C ATOM 236 C ASP A 16 -4.123 -22.155 -9.564 1.00 10.00 C ATOM 237 O ASP A 16 -5.079 -22.336 -10.316 1.00 10.00 O ATOM 238 CB ASP A 16 -2.539 -24.064 -9.090 1.00 10.00 C ATOM 239 CG ASP A 16 -3.584 -25.131 -9.458 1.00 10.00 C ATOM 240 OD1 ASP A 16 -3.558 -25.629 -10.609 1.00 10.00 O ATOM 241 OD2 ASP A 16 -4.418 -25.488 -8.592 1.00 10.00 O ATOM 0 H ASP A 16 -1.003 -22.180 -8.890 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.738 -22.992 -10.951 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.539 -24.452 -9.283 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.597 -23.850 -8.023 1.00 10.00 H new ATOM 246 N ALA A 17 -4.216 -21.381 -8.478 1.00 10.00 N ATOM 247 CA ALA A 17 -5.433 -20.662 -8.101 1.00 10.00 C ATOM 248 C ALA A 17 -5.766 -19.510 -9.075 1.00 10.00 C ATOM 249 O ALA A 17 -6.940 -19.220 -9.309 1.00 10.00 O ATOM 250 CB ALA A 17 -5.294 -20.167 -6.656 1.00 10.00 C ATOM 0 H ALA A 17 -3.441 -21.236 -7.831 1.00 10.00 H new ATOM 0 HA ALA A 17 -6.276 -21.350 -8.165 1.00 10.00 H new ATOM 0 HB1 ALA A 17 -6.197 -19.630 -6.367 1.00 10.00 H new ATOM 0 HB2 ALA A 17 -5.150 -21.019 -5.992 1.00 10.00 H new ATOM 0 HB3 ALA A 17 -4.435 -19.500 -6.581 1.00 10.00 H new ATOM 256 N LEU A 18 -4.752 -18.843 -9.644 1.00 10.00 N ATOM 257 CA LEU A 18 -4.905 -17.754 -10.605 1.00 10.00 C ATOM 258 C LEU A 18 -5.290 -18.279 -12.004 1.00 10.00 C ATOM 259 O LEU A 18 -6.215 -17.757 -12.625 1.00 10.00 O ATOM 260 CB LEU A 18 -3.560 -16.986 -10.593 1.00 10.00 C ATOM 261 CG LEU A 18 -3.181 -16.224 -11.871 1.00 10.00 C ATOM 262 CD1 LEU A 18 -4.145 -15.091 -12.224 1.00 10.00 C ATOM 263 CD2 LEU A 18 -1.789 -15.612 -11.718 1.00 10.00 C ATOM 0 H LEU A 18 -3.776 -19.057 -9.439 1.00 10.00 H new ATOM 0 HA LEU A 18 -5.723 -17.087 -10.333 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -3.584 -16.274 -9.768 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -2.765 -17.699 -10.375 1.00 10.00 H new ATOM 0 HG LEU A 18 -3.219 -16.961 -12.673 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -3.811 -14.600 -13.138 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -5.145 -15.498 -12.375 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -4.168 -14.366 -11.411 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.526 -15.073 -12.628 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -1.786 -14.922 -10.874 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -1.061 -16.404 -11.542 1.00 10.00 H new ATOM 275 N LYS A 19 -4.610 -19.312 -12.521 1.00 10.00 N ATOM 276 CA LYS A 19 -4.821 -19.847 -13.866 1.00 10.00 C ATOM 277 C LYS A 19 -6.191 -20.486 -14.125 1.00 10.00 C ATOM 278 O LYS A 19 -6.602 -20.576 -15.282 1.00 10.00 O ATOM 279 CB LYS A 19 -3.624 -20.749 -14.182 1.00 10.00 C ATOM 280 CG LYS A 19 -3.647 -22.166 -13.589 1.00 10.00 C ATOM 281 CD LYS A 19 -4.230 -23.211 -14.550 1.00 10.00 C ATOM 282 CE LYS A 19 -3.980 -24.616 -13.996 1.00 10.00 C ATOM 283 NZ LYS A 19 -4.366 -25.652 -14.982 1.00 10.00 N ATOM 0 H LYS A 19 -3.884 -19.806 -12.002 1.00 10.00 H new ATOM 0 HA LYS A 19 -4.863 -19.017 -14.572 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -3.541 -20.836 -15.265 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.721 -20.249 -13.832 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -2.632 -22.457 -13.318 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -4.233 -22.159 -12.670 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -5.300 -23.045 -14.678 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -3.772 -23.110 -15.534 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.926 -24.728 -13.740 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -4.548 -24.755 -13.076 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -3.841 -26.529 -14.788 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -5.387 -25.837 -14.910 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -4.141 -25.319 -15.941 1.00 10.00 H new ATOM 297 N THR A 20 -6.911 -20.906 -13.080 1.00 10.00 N ATOM 298 CA THR A 20 -8.269 -21.481 -13.198 1.00 10.00 C ATOM 299 C THR A 20 -9.379 -20.422 -13.305 1.00 10.00 C ATOM 300 O THR A 20 -10.520 -20.768 -13.626 1.00 10.00 O ATOM 301 CB THR A 20 -8.591 -22.428 -12.031 1.00 10.00 C ATOM 302 OG1 THR A 20 -8.358 -21.786 -10.796 1.00 10.00 O ATOM 303 CG2 THR A 20 -7.747 -23.702 -12.094 1.00 10.00 C ATOM 0 H THR A 20 -6.572 -20.859 -12.119 1.00 10.00 H new ATOM 0 HA THR A 20 -8.253 -22.041 -14.133 1.00 10.00 H new ATOM 0 HB THR A 20 -9.643 -22.698 -12.116 1.00 10.00 H new ATOM 0 HG1 THR A 20 -8.569 -22.401 -10.063 1.00 10.00 H new ATOM 0 HG21 THR A 20 -8.001 -24.348 -11.254 1.00 10.00 H new ATOM 0 HG22 THR A 20 -7.948 -24.226 -13.029 1.00 10.00 H new ATOM 0 HG23 THR A 20 -6.690 -23.441 -12.045 1.00 10.00 H new ATOM 311 N LEU A 21 -9.076 -19.137 -13.071 1.00 10.00 N ATOM 312 CA LEU A 21 -10.024 -18.022 -13.199 1.00 10.00 C ATOM 313 C LEU A 21 -10.441 -17.793 -14.675 1.00 10.00 C ATOM 314 O LEU A 21 -9.716 -18.228 -15.578 1.00 10.00 O ATOM 315 CB LEU A 21 -9.371 -16.753 -12.615 1.00 10.00 C ATOM 316 CG LEU A 21 -9.044 -16.824 -11.111 1.00 10.00 C ATOM 317 CD1 LEU A 21 -8.323 -15.547 -10.683 1.00 10.00 C ATOM 318 CD2 LEU A 21 -10.299 -16.973 -10.245 1.00 10.00 C ATOM 0 H LEU A 21 -8.145 -18.838 -12.781 1.00 10.00 H new ATOM 0 HA LEU A 21 -10.933 -18.262 -12.647 1.00 10.00 H new ATOM 0 HB2 LEU A 21 -8.451 -16.551 -13.163 1.00 10.00 H new ATOM 0 HB3 LEU A 21 -10.037 -15.907 -12.788 1.00 10.00 H new ATOM 0 HG LEU A 21 -8.417 -17.704 -10.965 1.00 10.00 H new ATOM 0 HD11 LEU A 21 -8.092 -15.599 -9.619 1.00 10.00 H new ATOM 0 HD12 LEU A 21 -7.398 -15.444 -11.250 1.00 10.00 H new ATOM 0 HD13 LEU A 21 -8.964 -14.686 -10.874 1.00 10.00 H new ATOM 0 HD21 LEU A 21 -10.013 -17.018 -9.194 1.00 10.00 H new ATOM 0 HD22 LEU A 21 -10.956 -16.118 -10.406 1.00 10.00 H new ATOM 0 HD23 LEU A 21 -10.823 -17.889 -10.518 1.00 10.00 H new ATOM 330 N PRO A 22 -11.581 -17.117 -14.946 1.00 10.00 N ATOM 331 CA PRO A 22 -12.061 -16.833 -16.302 1.00 10.00 C ATOM 332 C PRO A 22 -10.979 -16.279 -17.242 1.00 10.00 C ATOM 333 O PRO A 22 -10.304 -15.295 -16.928 1.00 10.00 O ATOM 334 CB PRO A 22 -13.225 -15.850 -16.134 1.00 10.00 C ATOM 335 CG PRO A 22 -13.779 -16.213 -14.760 1.00 10.00 C ATOM 336 CD PRO A 22 -12.521 -16.574 -13.971 1.00 10.00 C ATOM 0 HA PRO A 22 -12.373 -17.759 -16.786 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -12.888 -14.814 -16.173 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -13.973 -15.972 -16.917 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -14.315 -15.379 -14.307 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -14.477 -17.049 -14.813 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -12.106 -15.697 -13.474 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -12.744 -17.305 -13.194 1.00 10.00 H new ATOM 344 N ASP A 23 -10.823 -16.913 -18.407 1.00 10.00 N ATOM 345 CA ASP A 23 -9.824 -16.552 -19.424 1.00 10.00 C ATOM 346 C ASP A 23 -9.914 -15.080 -19.858 1.00 10.00 C ATOM 347 O ASP A 23 -8.897 -14.410 -20.028 1.00 10.00 O ATOM 348 CB ASP A 23 -10.015 -17.479 -20.630 1.00 10.00 C ATOM 349 CG ASP A 23 -8.855 -17.385 -21.630 1.00 10.00 C ATOM 350 OD1 ASP A 23 -7.710 -17.733 -21.259 1.00 10.00 O ATOM 351 OD2 ASP A 23 -9.082 -17.038 -22.812 1.00 10.00 O ATOM 0 H ASP A 23 -11.399 -17.710 -18.678 1.00 10.00 H new ATOM 0 HA ASP A 23 -8.832 -16.676 -18.990 1.00 10.00 H new ATOM 0 HB2 ASP A 23 -10.109 -18.508 -20.283 1.00 10.00 H new ATOM 0 HB3 ASP A 23 -10.948 -17.227 -21.135 1.00 10.00 H new ATOM 356 N GLU A 24 -11.141 -14.570 -19.994 1.00 10.00 N ATOM 357 CA GLU A 24 -11.424 -13.176 -20.360 1.00 10.00 C ATOM 358 C GLU A 24 -10.890 -12.177 -19.317 1.00 10.00 C ATOM 359 O GLU A 24 -10.313 -11.155 -19.684 1.00 10.00 O ATOM 360 CB GLU A 24 -12.942 -12.977 -20.524 1.00 10.00 C ATOM 361 CG GLU A 24 -13.565 -13.764 -21.688 1.00 10.00 C ATOM 362 CD GLU A 24 -13.136 -13.210 -23.061 1.00 10.00 C ATOM 363 OE1 GLU A 24 -13.772 -12.246 -23.555 1.00 10.00 O ATOM 364 OE2 GLU A 24 -12.174 -13.741 -23.667 1.00 10.00 O ATOM 0 H GLU A 24 -11.985 -15.125 -19.850 1.00 10.00 H new ATOM 0 HA GLU A 24 -10.911 -12.980 -21.302 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -13.436 -13.270 -19.598 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -13.143 -11.916 -20.671 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -13.273 -14.812 -21.613 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -14.651 -13.729 -21.607 1.00 10.00 H new ATOM 371 N GLU A 25 -11.038 -12.467 -18.018 1.00 10.00 N ATOM 372 CA GLU A 25 -10.546 -11.609 -16.933 1.00 10.00 C ATOM 373 C GLU A 25 -9.009 -11.558 -16.925 1.00 10.00 C ATOM 374 O GLU A 25 -8.418 -10.478 -16.847 1.00 10.00 O ATOM 375 CB GLU A 25 -11.094 -12.141 -15.598 1.00 10.00 C ATOM 376 CG GLU A 25 -10.846 -11.215 -14.402 1.00 10.00 C ATOM 377 CD GLU A 25 -11.735 -9.955 -14.448 1.00 10.00 C ATOM 378 OE1 GLU A 25 -12.874 -9.994 -13.922 1.00 10.00 O ATOM 379 OE2 GLU A 25 -11.303 -8.916 -15.001 1.00 10.00 O ATOM 0 H GLU A 25 -11.507 -13.311 -17.688 1.00 10.00 H new ATOM 0 HA GLU A 25 -10.896 -10.588 -17.086 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -12.167 -12.306 -15.699 1.00 10.00 H new ATOM 0 HB3 GLU A 25 -10.640 -13.110 -15.393 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -11.037 -11.759 -13.477 1.00 10.00 H new ATOM 0 HG3 GLU A 25 -9.797 -10.918 -14.386 1.00 10.00 H new ATOM 386 N VAL A 26 -8.356 -12.721 -17.059 1.00 10.00 N ATOM 387 CA VAL A 26 -6.889 -12.829 -17.134 1.00 10.00 C ATOM 388 C VAL A 26 -6.366 -12.060 -18.354 1.00 10.00 C ATOM 389 O VAL A 26 -5.448 -11.247 -18.227 1.00 10.00 O ATOM 390 CB VAL A 26 -6.452 -14.310 -17.165 1.00 10.00 C ATOM 391 CG1 VAL A 26 -4.937 -14.475 -17.340 1.00 10.00 C ATOM 392 CG2 VAL A 26 -6.839 -15.025 -15.861 1.00 10.00 C ATOM 0 H VAL A 26 -8.833 -13.621 -17.119 1.00 10.00 H new ATOM 0 HA VAL A 26 -6.454 -12.380 -16.241 1.00 10.00 H new ATOM 0 HB VAL A 26 -6.966 -14.748 -18.021 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -4.686 -15.536 -17.355 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.627 -14.015 -18.278 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -4.420 -13.991 -16.511 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -6.520 -16.066 -15.909 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -6.352 -14.534 -15.019 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -7.920 -14.982 -15.730 1.00 10.00 H new ATOM 402 N ASP A 27 -6.972 -12.265 -19.528 1.00 10.00 N ATOM 403 CA ASP A 27 -6.606 -11.574 -20.768 1.00 10.00 C ATOM 404 C ASP A 27 -6.747 -10.045 -20.657 1.00 10.00 C ATOM 405 O ASP A 27 -5.841 -9.326 -21.079 1.00 10.00 O ATOM 406 CB ASP A 27 -7.444 -12.122 -21.929 1.00 10.00 C ATOM 407 CG ASP A 27 -7.027 -11.503 -23.274 1.00 10.00 C ATOM 408 OD1 ASP A 27 -5.959 -11.887 -23.809 1.00 10.00 O ATOM 409 OD2 ASP A 27 -7.773 -10.649 -23.810 1.00 10.00 O ATOM 0 H ASP A 27 -7.741 -12.925 -19.645 1.00 10.00 H new ATOM 0 HA ASP A 27 -5.551 -11.769 -20.959 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -7.334 -13.205 -21.977 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -8.499 -11.917 -21.745 1.00 10.00 H new ATOM 414 N SER A 28 -7.835 -9.534 -20.065 1.00 10.00 N ATOM 415 CA SER A 28 -8.046 -8.088 -19.888 1.00 10.00 C ATOM 416 C SER A 28 -6.944 -7.424 -19.054 1.00 10.00 C ATOM 417 O SER A 28 -6.463 -6.357 -19.437 1.00 10.00 O ATOM 418 CB SER A 28 -9.407 -7.796 -19.242 1.00 10.00 C ATOM 419 OG SER A 28 -10.470 -8.008 -20.161 1.00 10.00 O ATOM 0 H SER A 28 -8.593 -10.108 -19.696 1.00 10.00 H new ATOM 0 HA SER A 28 -8.017 -7.662 -20.891 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.543 -8.436 -18.371 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.430 -6.766 -18.887 1.00 10.00 H new ATOM 0 HG SER A 28 -10.680 -8.964 -20.203 1.00 10.00 H new ATOM 425 N ILE A 29 -6.508 -8.031 -17.941 1.00 10.00 N ATOM 426 CA ILE A 29 -5.433 -7.464 -17.112 1.00 10.00 C ATOM 427 C ILE A 29 -4.093 -7.511 -17.866 1.00 10.00 C ATOM 428 O ILE A 29 -3.376 -6.509 -17.918 1.00 10.00 O ATOM 429 CB ILE A 29 -5.336 -8.145 -15.726 1.00 10.00 C ATOM 430 CG1 ILE A 29 -6.682 -8.098 -14.963 1.00 10.00 C ATOM 431 CG2 ILE A 29 -4.255 -7.423 -14.896 1.00 10.00 C ATOM 432 CD1 ILE A 29 -6.725 -9.009 -13.728 1.00 10.00 C ATOM 0 H ILE A 29 -6.882 -8.914 -17.594 1.00 10.00 H new ATOM 0 HA ILE A 29 -5.681 -6.420 -16.919 1.00 10.00 H new ATOM 0 HB ILE A 29 -5.078 -9.193 -15.877 1.00 10.00 H new ATOM 0 HG12 ILE A 29 -6.878 -7.072 -14.653 1.00 10.00 H new ATOM 0 HG13 ILE A 29 -7.485 -8.384 -15.643 1.00 10.00 H new ATOM 0 HG21 ILE A 29 -4.175 -7.892 -13.915 1.00 10.00 H new ATOM 0 HG22 ILE A 29 -3.296 -7.491 -15.410 1.00 10.00 H new ATOM 0 HG23 ILE A 29 -4.529 -6.375 -14.775 1.00 10.00 H new ATOM 0 HD11 ILE A 29 -7.699 -8.922 -13.246 1.00 10.00 H new ATOM 0 HD12 ILE A 29 -6.562 -10.043 -14.033 1.00 10.00 H new ATOM 0 HD13 ILE A 29 -5.945 -8.709 -13.028 1.00 10.00 H new ATOM 444 N LEU A 30 -3.760 -8.639 -18.507 1.00 10.00 N ATOM 445 CA LEU A 30 -2.528 -8.766 -19.298 1.00 10.00 C ATOM 446 C LEU A 30 -2.487 -7.772 -20.477 1.00 10.00 C ATOM 447 O LEU A 30 -1.425 -7.231 -20.781 1.00 10.00 O ATOM 448 CB LEU A 30 -2.351 -10.218 -19.776 1.00 10.00 C ATOM 449 CG LEU A 30 -2.098 -11.243 -18.651 1.00 10.00 C ATOM 450 CD1 LEU A 30 -2.020 -12.644 -19.259 1.00 10.00 C ATOM 451 CD2 LEU A 30 -0.805 -10.977 -17.877 1.00 10.00 C ATOM 0 H LEU A 30 -4.332 -9.484 -18.493 1.00 10.00 H new ATOM 0 HA LEU A 30 -1.689 -8.510 -18.652 1.00 10.00 H new ATOM 0 HB2 LEU A 30 -3.244 -10.516 -20.326 1.00 10.00 H new ATOM 0 HB3 LEU A 30 -1.517 -10.256 -20.477 1.00 10.00 H new ATOM 0 HG LEU A 30 -2.926 -11.155 -17.948 1.00 10.00 H new ATOM 0 HD11 LEU A 30 -1.841 -13.374 -18.469 1.00 10.00 H new ATOM 0 HD12 LEU A 30 -2.959 -12.875 -19.761 1.00 10.00 H new ATOM 0 HD13 LEU A 30 -1.204 -12.683 -19.980 1.00 10.00 H new ATOM 0 HD21 LEU A 30 -0.684 -11.732 -17.100 1.00 10.00 H new ATOM 0 HD22 LEU A 30 0.043 -11.020 -18.560 1.00 10.00 H new ATOM 0 HD23 LEU A 30 -0.852 -9.989 -17.419 1.00 10.00 H new ATOM 463 N ALA A 31 -3.626 -7.482 -21.109 1.00 10.00 N ATOM 464 CA ALA A 31 -3.738 -6.509 -22.199 1.00 10.00 C ATOM 465 C ALA A 31 -3.616 -5.034 -21.741 1.00 10.00 C ATOM 466 O ALA A 31 -3.420 -4.152 -22.581 1.00 10.00 O ATOM 467 CB ALA A 31 -5.073 -6.746 -22.917 1.00 10.00 C ATOM 0 H ALA A 31 -4.514 -7.925 -20.873 1.00 10.00 H new ATOM 0 HA ALA A 31 -2.895 -6.666 -22.872 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -5.179 -6.032 -23.734 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -5.096 -7.760 -23.316 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.894 -6.615 -22.212 1.00 10.00 H new ATOM 473 N GLU A 32 -3.725 -4.749 -20.436 1.00 10.00 N ATOM 474 CA GLU A 32 -3.677 -3.391 -19.862 1.00 10.00 C ATOM 475 C GLU A 32 -2.425 -3.109 -19.006 1.00 10.00 C ATOM 476 O GLU A 32 -2.020 -1.950 -18.895 1.00 10.00 O ATOM 477 CB GLU A 32 -4.941 -3.156 -19.015 1.00 10.00 C ATOM 478 CG GLU A 32 -6.234 -3.025 -19.836 1.00 10.00 C ATOM 479 CD GLU A 32 -6.320 -1.673 -20.572 1.00 10.00 C ATOM 480 OE1 GLU A 32 -6.671 -0.650 -19.932 1.00 10.00 O ATOM 481 OE2 GLU A 32 -6.058 -1.618 -21.798 1.00 10.00 O ATOM 0 H GLU A 32 -3.852 -5.473 -19.729 1.00 10.00 H new ATOM 0 HA GLU A 32 -3.628 -2.702 -20.705 1.00 10.00 H new ATOM 0 HB2 GLU A 32 -5.052 -3.981 -18.312 1.00 10.00 H new ATOM 0 HB3 GLU A 32 -4.806 -2.250 -18.424 1.00 10.00 H new ATOM 0 HG2 GLU A 32 -6.285 -3.836 -20.562 1.00 10.00 H new ATOM 0 HG3 GLU A 32 -7.095 -3.133 -19.176 1.00 10.00 H new ATOM 488 N ASP A 33 -1.805 -4.132 -18.402 1.00 10.00 N ATOM 489 CA ASP A 33 -0.621 -3.989 -17.531 1.00 10.00 C ATOM 490 C ASP A 33 0.490 -5.037 -17.762 1.00 10.00 C ATOM 491 O ASP A 33 1.624 -4.838 -17.323 1.00 10.00 O ATOM 492 CB ASP A 33 -1.088 -4.033 -16.066 1.00 10.00 C ATOM 493 CG ASP A 33 -0.023 -3.496 -15.091 1.00 10.00 C ATOM 494 OD1 ASP A 33 0.314 -2.289 -15.168 1.00 10.00 O ATOM 495 OD2 ASP A 33 0.448 -4.260 -14.216 1.00 10.00 O ATOM 0 H ASP A 33 -2.114 -5.099 -18.504 1.00 10.00 H new ATOM 0 HA ASP A 33 -0.162 -3.033 -17.784 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -2.001 -3.446 -15.961 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -1.337 -5.060 -15.798 1.00 10.00 H new ATOM 500 N GLY A 34 0.200 -6.143 -18.459 1.00 10.00 N ATOM 501 CA GLY A 34 1.161 -7.213 -18.770 1.00 10.00 C ATOM 502 C GLY A 34 1.487 -8.175 -17.617 1.00 10.00 C ATOM 503 O GLY A 34 2.129 -9.201 -17.849 1.00 10.00 O ATOM 0 H GLY A 34 -0.732 -6.325 -18.832 1.00 10.00 H new ATOM 0 HA2 GLY A 34 0.770 -7.795 -19.604 1.00 10.00 H new ATOM 0 HA3 GLY A 34 2.090 -6.754 -19.109 1.00 10.00 H new ATOM 507 N GLU A 35 1.044 -7.880 -16.390 1.00 10.00 N ATOM 508 CA GLU A 35 1.281 -8.697 -15.189 1.00 10.00 C ATOM 509 C GLU A 35 0.069 -8.694 -14.241 1.00 10.00 C ATOM 510 O GLU A 35 -0.792 -7.814 -14.303 1.00 10.00 O ATOM 511 CB GLU A 35 2.524 -8.217 -14.404 1.00 10.00 C ATOM 512 CG GLU A 35 3.764 -7.915 -15.257 1.00 10.00 C ATOM 513 CD GLU A 35 5.003 -7.637 -14.384 1.00 10.00 C ATOM 514 OE1 GLU A 35 5.098 -6.537 -13.785 1.00 10.00 O ATOM 515 OE2 GLU A 35 5.904 -8.507 -14.310 1.00 10.00 O ATOM 0 H GLU A 35 0.495 -7.043 -16.197 1.00 10.00 H new ATOM 0 HA GLU A 35 1.451 -9.712 -15.549 1.00 10.00 H new ATOM 0 HB2 GLU A 35 2.257 -7.317 -13.849 1.00 10.00 H new ATOM 0 HB3 GLU A 35 2.786 -8.979 -13.670 1.00 10.00 H new ATOM 0 HG2 GLU A 35 3.966 -8.759 -15.917 1.00 10.00 H new ATOM 0 HG3 GLU A 35 3.566 -7.052 -15.894 1.00 10.00 H new ATOM 522 N ILE A 36 0.018 -9.687 -13.350 1.00 10.00 N ATOM 523 CA ILE A 36 -1.025 -9.909 -12.341 1.00 10.00 C ATOM 524 C ILE A 36 -0.349 -10.229 -10.998 1.00 10.00 C ATOM 525 O ILE A 36 0.599 -11.013 -10.946 1.00 10.00 O ATOM 526 CB ILE A 36 -1.962 -11.058 -12.795 1.00 10.00 C ATOM 527 CG1 ILE A 36 -2.715 -10.699 -14.099 1.00 10.00 C ATOM 528 CG2 ILE A 36 -2.982 -11.396 -11.691 1.00 10.00 C ATOM 529 CD1 ILE A 36 -3.375 -11.892 -14.791 1.00 10.00 C ATOM 0 H ILE A 36 0.746 -10.401 -13.310 1.00 10.00 H new ATOM 0 HA ILE A 36 -1.637 -9.015 -12.222 1.00 10.00 H new ATOM 0 HB ILE A 36 -1.334 -11.928 -12.988 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -3.480 -9.957 -13.871 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.015 -10.233 -14.793 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -3.630 -12.205 -12.029 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -2.453 -11.708 -10.790 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -3.585 -10.515 -11.471 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -3.881 -11.554 -15.696 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -2.614 -12.627 -15.054 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -4.102 -12.347 -14.118 1.00 10.00 H new ATOM 541 N ASP A 37 -0.841 -9.641 -9.906 1.00 10.00 N ATOM 542 CA ASP A 37 -0.346 -9.839 -8.536 1.00 10.00 C ATOM 543 C ASP A 37 -1.498 -10.296 -7.625 1.00 10.00 C ATOM 544 O ASP A 37 -2.539 -9.636 -7.545 1.00 10.00 O ATOM 545 CB ASP A 37 0.306 -8.543 -8.033 1.00 10.00 C ATOM 546 CG ASP A 37 0.738 -8.648 -6.560 1.00 10.00 C ATOM 547 OD1 ASP A 37 1.765 -9.305 -6.275 1.00 10.00 O ATOM 548 OD2 ASP A 37 0.055 -8.064 -5.685 1.00 10.00 O ATOM 0 H ASP A 37 -1.624 -8.989 -9.950 1.00 10.00 H new ATOM 0 HA ASP A 37 0.413 -10.621 -8.522 1.00 10.00 H new ATOM 0 HB2 ASP A 37 1.174 -8.311 -8.650 1.00 10.00 H new ATOM 0 HB3 ASP A 37 -0.396 -7.717 -8.147 1.00 10.00 H new ATOM 553 N MET A 38 -1.321 -11.444 -6.967 1.00 10.00 N ATOM 554 CA MET A 38 -2.309 -12.082 -6.084 1.00 10.00 C ATOM 555 C MET A 38 -1.677 -12.629 -4.798 1.00 10.00 C ATOM 556 O MET A 38 -0.481 -12.927 -4.750 1.00 10.00 O ATOM 557 CB MET A 38 -3.061 -13.197 -6.835 1.00 10.00 C ATOM 558 CG MET A 38 -4.003 -12.624 -7.899 1.00 10.00 C ATOM 559 SD MET A 38 -5.084 -13.845 -8.688 1.00 10.00 S ATOM 560 CE MET A 38 -6.062 -12.721 -9.723 1.00 10.00 C ATOM 0 H MET A 38 -0.454 -11.977 -7.035 1.00 10.00 H new ATOM 0 HA MET A 38 -3.019 -11.311 -5.786 1.00 10.00 H new ATOM 0 HB2 MET A 38 -2.343 -13.867 -7.307 1.00 10.00 H new ATOM 0 HB3 MET A 38 -3.633 -13.793 -6.124 1.00 10.00 H new ATOM 0 HG2 MET A 38 -4.622 -11.853 -7.440 1.00 10.00 H new ATOM 0 HG3 MET A 38 -3.406 -12.136 -8.669 1.00 10.00 H new ATOM 0 HE1 MET A 38 -6.557 -13.289 -10.511 1.00 10.00 H new ATOM 0 HE2 MET A 38 -6.812 -12.222 -9.110 1.00 10.00 H new ATOM 0 HE3 MET A 38 -5.405 -11.975 -10.171 1.00 10.00 H new ATOM 570 N HIS A 39 -2.490 -12.772 -3.749 1.00 10.00 N ATOM 571 CA HIS A 39 -2.061 -13.316 -2.460 1.00 10.00 C ATOM 572 C HIS A 39 -2.336 -14.828 -2.361 1.00 10.00 C ATOM 573 O HIS A 39 -3.365 -15.330 -2.822 1.00 10.00 O ATOM 574 CB HIS A 39 -2.727 -12.539 -1.312 1.00 10.00 C ATOM 575 CG HIS A 39 -4.235 -12.462 -1.367 1.00 10.00 C ATOM 576 ND1 HIS A 39 -4.980 -11.378 -1.777 1.00 10.00 N ATOM 577 CD2 HIS A 39 -5.121 -13.433 -0.977 1.00 10.00 C ATOM 578 CE1 HIS A 39 -6.281 -11.686 -1.643 1.00 10.00 C ATOM 579 NE2 HIS A 39 -6.419 -12.934 -1.158 1.00 10.00 N ATOM 0 H HIS A 39 -3.476 -12.510 -3.772 1.00 10.00 H new ATOM 0 HA HIS A 39 -0.981 -13.191 -2.376 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -2.439 -13.002 -0.368 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -2.329 -11.524 -1.304 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -4.864 -14.411 -0.597 1.00 10.00 H new ATOM 0 HE1 HIS A 39 -7.100 -11.026 -1.889 1.00 10.00 H new ATOM 0 HE2 HIS A 39 -7.294 -13.420 -0.961 1.00 10.00 H new ATOM 587 N CYS A 40 -1.398 -15.543 -1.738 1.00 10.00 N ATOM 588 CA CYS A 40 -1.411 -16.976 -1.477 1.00 10.00 C ATOM 589 C CYS A 40 -2.674 -17.378 -0.696 1.00 10.00 C ATOM 590 O CYS A 40 -2.909 -16.898 0.415 1.00 10.00 O ATOM 591 CB CYS A 40 -0.114 -17.280 -0.710 1.00 10.00 C ATOM 592 SG CYS A 40 0.055 -19.043 -0.319 1.00 10.00 S ATOM 0 H CYS A 40 -0.552 -15.101 -1.379 1.00 10.00 H new ATOM 0 HA CYS A 40 -1.446 -17.559 -2.397 1.00 10.00 H new ATOM 0 HB2 CYS A 40 0.741 -16.958 -1.304 1.00 10.00 H new ATOM 0 HB3 CYS A 40 -0.096 -16.702 0.214 1.00 10.00 H new ATOM 597 N ASP A 41 -3.492 -18.267 -1.264 1.00 10.00 N ATOM 598 CA ASP A 41 -4.726 -18.754 -0.627 1.00 10.00 C ATOM 599 C ASP A 41 -4.461 -19.579 0.656 1.00 10.00 C ATOM 600 O ASP A 41 -5.377 -19.827 1.445 1.00 10.00 O ATOM 601 CB ASP A 41 -5.523 -19.569 -1.658 1.00 10.00 C ATOM 602 CG ASP A 41 -6.951 -19.894 -1.179 1.00 10.00 C ATOM 603 OD1 ASP A 41 -7.744 -18.948 -0.951 1.00 10.00 O ATOM 604 OD2 ASP A 41 -7.302 -21.094 -1.075 1.00 10.00 O ATOM 0 H ASP A 41 -3.319 -18.674 -2.183 1.00 10.00 H new ATOM 0 HA ASP A 41 -5.306 -17.890 -0.303 1.00 10.00 H new ATOM 0 HB2 ASP A 41 -5.575 -19.013 -2.594 1.00 10.00 H new ATOM 0 HB3 ASP A 41 -4.994 -20.498 -1.869 1.00 10.00 H new ATOM 609 N TYR A 42 -3.207 -19.992 0.873 1.00 10.00 N ATOM 610 CA TYR A 42 -2.757 -20.801 2.002 1.00 10.00 C ATOM 611 C TYR A 42 -2.037 -19.998 3.102 1.00 10.00 C ATOM 612 O TYR A 42 -2.198 -20.321 4.284 1.00 10.00 O ATOM 613 CB TYR A 42 -1.808 -21.869 1.442 1.00 10.00 C ATOM 614 CG TYR A 42 -2.470 -22.858 0.496 1.00 10.00 C ATOM 615 CD1 TYR A 42 -3.193 -23.948 1.020 1.00 10.00 C ATOM 616 CD2 TYR A 42 -2.391 -22.672 -0.901 1.00 10.00 C ATOM 617 CE1 TYR A 42 -3.839 -24.850 0.153 1.00 10.00 C ATOM 618 CE2 TYR A 42 -3.050 -23.565 -1.770 1.00 10.00 C ATOM 619 CZ TYR A 42 -3.773 -24.660 -1.244 1.00 10.00 C ATOM 620 OH TYR A 42 -4.405 -25.534 -2.075 1.00 10.00 O ATOM 0 H TYR A 42 -2.447 -19.758 0.235 1.00 10.00 H new ATOM 0 HA TYR A 42 -3.637 -21.230 2.482 1.00 10.00 H new ATOM 0 HB2 TYR A 42 -0.991 -21.374 0.918 1.00 10.00 H new ATOM 0 HB3 TYR A 42 -1.367 -22.419 2.273 1.00 10.00 H new ATOM 0 HD1 TYR A 42 -3.252 -24.092 2.089 1.00 10.00 H new ATOM 0 HD2 TYR A 42 -1.825 -21.845 -1.304 1.00 10.00 H new ATOM 0 HE1 TYR A 42 -4.386 -25.689 0.558 1.00 10.00 H new ATOM 0 HE2 TYR A 42 -3.003 -23.413 -2.838 1.00 10.00 H new ATOM 0 HH TYR A 42 -4.263 -25.261 -3.006 1.00 10.00 H new ATOM 630 N CYS A 43 -1.242 -18.986 2.726 1.00 10.00 N ATOM 631 CA CYS A 43 -0.382 -18.212 3.638 1.00 10.00 C ATOM 632 C CYS A 43 -0.577 -16.676 3.628 1.00 10.00 C ATOM 633 O CYS A 43 -0.036 -15.988 4.496 1.00 10.00 O ATOM 634 CB CYS A 43 1.087 -18.543 3.310 1.00 10.00 C ATOM 635 SG CYS A 43 1.383 -20.317 3.014 1.00 10.00 S ATOM 0 H CYS A 43 -1.176 -18.674 1.757 1.00 10.00 H new ATOM 0 HA CYS A 43 -0.674 -18.514 4.644 1.00 10.00 H new ATOM 0 HB2 CYS A 43 1.390 -17.980 2.427 1.00 10.00 H new ATOM 0 HB3 CYS A 43 1.719 -18.210 4.133 1.00 10.00 H new ATOM 640 N GLY A 44 -1.319 -16.114 2.669 1.00 10.00 N ATOM 641 CA GLY A 44 -1.577 -14.668 2.545 1.00 10.00 C ATOM 642 C GLY A 44 -0.446 -13.831 1.917 1.00 10.00 C ATOM 643 O GLY A 44 -0.653 -12.652 1.624 1.00 10.00 O ATOM 0 H GLY A 44 -1.770 -16.662 1.937 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -2.479 -14.530 1.948 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -1.788 -14.270 3.538 1.00 10.00 H new ATOM 647 N ASN A 45 0.738 -14.410 1.693 1.00 10.00 N ATOM 648 CA ASN A 45 1.896 -13.749 1.072 1.00 10.00 C ATOM 649 C ASN A 45 1.639 -13.399 -0.413 1.00 10.00 C ATOM 650 O ASN A 45 0.906 -14.110 -1.096 1.00 10.00 O ATOM 651 CB ASN A 45 3.093 -14.697 1.229 1.00 10.00 C ATOM 652 CG ASN A 45 4.392 -14.131 0.677 1.00 10.00 C ATOM 653 OD1 ASN A 45 4.697 -12.955 0.819 1.00 10.00 O ATOM 654 ND2 ASN A 45 5.193 -14.947 0.032 1.00 10.00 N ATOM 0 H ASN A 45 0.925 -15.380 1.945 1.00 10.00 H new ATOM 0 HA ASN A 45 2.093 -12.797 1.565 1.00 10.00 H new ATOM 0 HB2 ASN A 45 3.227 -14.928 2.286 1.00 10.00 H new ATOM 0 HB3 ASN A 45 2.871 -15.636 0.723 1.00 10.00 H new ATOM 0 HD21 ASN A 45 6.072 -14.601 -0.352 1.00 10.00 H new ATOM 0 HD22 ASN A 45 4.936 -15.927 -0.085 1.00 10.00 H new ATOM 661 N HIS A 46 2.248 -12.335 -0.939 1.00 10.00 N ATOM 662 CA HIS A 46 2.067 -11.897 -2.331 1.00 10.00 C ATOM 663 C HIS A 46 2.957 -12.662 -3.336 1.00 10.00 C ATOM 664 O HIS A 46 4.067 -13.088 -3.008 1.00 10.00 O ATOM 665 CB HIS A 46 2.331 -10.383 -2.403 1.00 10.00 C ATOM 666 CG HIS A 46 3.657 -9.939 -1.824 1.00 10.00 C ATOM 667 ND1 HIS A 46 3.851 -9.335 -0.600 1.00 10.00 N ATOM 668 CD2 HIS A 46 4.891 -10.063 -2.407 1.00 10.00 C ATOM 669 CE1 HIS A 46 5.166 -9.104 -0.447 1.00 10.00 C ATOM 670 NE2 HIS A 46 5.845 -9.529 -1.529 1.00 10.00 N ATOM 0 H HIS A 46 2.888 -11.745 -0.408 1.00 10.00 H new ATOM 0 HA HIS A 46 1.042 -12.122 -2.625 1.00 10.00 H new ATOM 0 HB2 HIS A 46 2.283 -10.070 -3.446 1.00 10.00 H new ATOM 0 HB3 HIS A 46 1.530 -9.864 -1.877 1.00 10.00 H new ATOM 0 HD2 HIS A 46 5.094 -10.497 -3.375 1.00 10.00 H new ATOM 0 HE1 HIS A 46 5.614 -8.643 0.421 1.00 10.00 H new ATOM 0 HE2 HIS A 46 6.852 -9.474 -1.680 1.00 10.00 H new ATOM 678 N TYR A 47 2.481 -12.792 -4.581 1.00 10.00 N ATOM 679 CA TYR A 47 3.159 -13.429 -5.709 1.00 10.00 C ATOM 680 C TYR A 47 2.688 -12.751 -7.001 1.00 10.00 C ATOM 681 O TYR A 47 1.484 -12.559 -7.205 1.00 10.00 O ATOM 682 CB TYR A 47 2.814 -14.926 -5.781 1.00 10.00 C ATOM 683 CG TYR A 47 3.509 -15.810 -4.765 1.00 10.00 C ATOM 684 CD1 TYR A 47 4.862 -16.153 -4.957 1.00 10.00 C ATOM 685 CD2 TYR A 47 2.804 -16.320 -3.656 1.00 10.00 C ATOM 686 CE1 TYR A 47 5.512 -17.004 -4.043 1.00 10.00 C ATOM 687 CE2 TYR A 47 3.448 -17.184 -2.748 1.00 10.00 C ATOM 688 CZ TYR A 47 4.804 -17.530 -2.942 1.00 10.00 C ATOM 689 OH TYR A 47 5.440 -18.367 -2.079 1.00 10.00 O ATOM 0 H TYR A 47 1.561 -12.434 -4.839 1.00 10.00 H new ATOM 0 HA TYR A 47 4.237 -13.326 -5.581 1.00 10.00 H new ATOM 0 HB2 TYR A 47 1.737 -15.038 -5.657 1.00 10.00 H new ATOM 0 HB3 TYR A 47 3.059 -15.289 -6.779 1.00 10.00 H new ATOM 0 HD1 TYR A 47 5.402 -15.762 -5.807 1.00 10.00 H new ATOM 0 HD2 TYR A 47 1.770 -16.049 -3.502 1.00 10.00 H new ATOM 0 HE1 TYR A 47 6.553 -17.254 -4.185 1.00 10.00 H new ATOM 0 HE2 TYR A 47 2.905 -17.582 -1.904 1.00 10.00 H new ATOM 0 HH TYR A 47 4.906 -18.463 -1.263 1.00 10.00 H new ATOM 699 N LEU A 48 3.638 -12.412 -7.877 1.00 10.00 N ATOM 700 CA LEU A 48 3.373 -11.763 -9.163 1.00 10.00 C ATOM 701 C LEU A 48 3.745 -12.670 -10.348 1.00 10.00 C ATOM 702 O LEU A 48 4.733 -13.407 -10.292 1.00 10.00 O ATOM 703 CB LEU A 48 4.001 -10.356 -9.205 1.00 10.00 C ATOM 704 CG LEU A 48 5.544 -10.291 -9.253 1.00 10.00 C ATOM 705 CD1 LEU A 48 6.092 -10.297 -10.684 1.00 10.00 C ATOM 706 CD2 LEU A 48 6.032 -8.996 -8.598 1.00 10.00 C ATOM 0 H LEU A 48 4.629 -12.584 -7.709 1.00 10.00 H new ATOM 0 HA LEU A 48 2.299 -11.608 -9.267 1.00 10.00 H new ATOM 0 HB2 LEU A 48 3.610 -9.834 -10.078 1.00 10.00 H new ATOM 0 HB3 LEU A 48 3.663 -9.805 -8.327 1.00 10.00 H new ATOM 0 HG LEU A 48 5.901 -11.177 -8.727 1.00 10.00 H new ATOM 0 HD11 LEU A 48 7.181 -10.250 -10.657 1.00 10.00 H new ATOM 0 HD12 LEU A 48 5.781 -11.211 -11.189 1.00 10.00 H new ATOM 0 HD13 LEU A 48 5.705 -9.434 -11.225 1.00 10.00 H new ATOM 0 HD21 LEU A 48 7.121 -8.957 -8.635 1.00 10.00 H new ATOM 0 HD22 LEU A 48 5.620 -8.140 -9.132 1.00 10.00 H new ATOM 0 HD23 LEU A 48 5.704 -8.968 -7.559 1.00 10.00 H new ATOM 718 N PHE A 49 2.937 -12.622 -11.407 1.00 10.00 N ATOM 719 CA PHE A 49 3.075 -13.421 -12.631 1.00 10.00 C ATOM 720 C PHE A 49 2.844 -12.551 -13.871 1.00 10.00 C ATOM 721 O PHE A 49 2.094 -11.576 -13.814 1.00 10.00 O ATOM 722 CB PHE A 49 2.059 -14.575 -12.589 1.00 10.00 C ATOM 723 CG PHE A 49 2.171 -15.458 -11.357 1.00 10.00 C ATOM 724 CD1 PHE A 49 3.140 -16.478 -11.302 1.00 10.00 C ATOM 725 CD2 PHE A 49 1.335 -15.229 -10.245 1.00 10.00 C ATOM 726 CE1 PHE A 49 3.274 -17.260 -10.140 1.00 10.00 C ATOM 727 CE2 PHE A 49 1.460 -16.019 -9.090 1.00 10.00 C ATOM 728 CZ PHE A 49 2.434 -17.031 -9.035 1.00 10.00 C ATOM 0 H PHE A 49 2.131 -11.998 -11.439 1.00 10.00 H new ATOM 0 HA PHE A 49 4.086 -13.825 -12.689 1.00 10.00 H new ATOM 0 HB2 PHE A 49 1.052 -14.160 -12.635 1.00 10.00 H new ATOM 0 HB3 PHE A 49 2.190 -15.192 -13.478 1.00 10.00 H new ATOM 0 HD1 PHE A 49 3.781 -16.660 -12.152 1.00 10.00 H new ATOM 0 HD2 PHE A 49 0.595 -14.443 -10.281 1.00 10.00 H new ATOM 0 HE1 PHE A 49 4.023 -18.037 -10.096 1.00 10.00 H new ATOM 0 HE2 PHE A 49 0.809 -15.849 -8.245 1.00 10.00 H new ATOM 0 HZ PHE A 49 2.538 -17.633 -8.144 1.00 10.00 H new ATOM 738 N ASN A 50 3.457 -12.906 -14.999 1.00 10.00 N ATOM 739 CA ASN A 50 3.321 -12.174 -16.262 1.00 10.00 C ATOM 740 C ASN A 50 2.767 -13.040 -17.402 1.00 10.00 C ATOM 741 O ASN A 50 2.483 -14.229 -17.236 1.00 10.00 O ATOM 742 CB ASN A 50 4.657 -11.480 -16.596 1.00 10.00 C ATOM 743 CG ASN A 50 5.808 -12.425 -16.898 1.00 10.00 C ATOM 744 OD1 ASN A 50 5.658 -13.425 -17.583 1.00 10.00 O ATOM 745 ND2 ASN A 50 6.998 -12.121 -16.434 1.00 10.00 N ATOM 0 H ASN A 50 4.070 -13.719 -15.065 1.00 10.00 H new ATOM 0 HA ASN A 50 2.565 -11.399 -16.138 1.00 10.00 H new ATOM 0 HB2 ASN A 50 4.506 -10.827 -17.456 1.00 10.00 H new ATOM 0 HB3 ASN A 50 4.939 -10.843 -15.758 1.00 10.00 H new ATOM 0 HD21 ASN A 50 7.796 -12.720 -16.646 1.00 10.00 H new ATOM 0 HD22 ASN A 50 7.124 -11.286 -15.862 1.00 10.00 H new ATOM 752 N ALA A 51 2.606 -12.422 -18.572 1.00 10.00 N ATOM 753 CA ALA A 51 2.082 -13.083 -19.767 1.00 10.00 C ATOM 754 C ALA A 51 2.879 -14.345 -20.154 1.00 10.00 C ATOM 755 O ALA A 51 2.280 -15.357 -20.517 1.00 10.00 O ATOM 756 CB ALA A 51 2.059 -12.064 -20.911 1.00 10.00 C ATOM 0 H ALA A 51 2.838 -11.439 -18.718 1.00 10.00 H new ATOM 0 HA ALA A 51 1.072 -13.434 -19.555 1.00 10.00 H new ATOM 0 HB1 ALA A 51 1.671 -12.538 -21.813 1.00 10.00 H new ATOM 0 HB2 ALA A 51 1.419 -11.225 -20.638 1.00 10.00 H new ATOM 0 HB3 ALA A 51 3.071 -11.703 -21.097 1.00 10.00 H new ATOM 762 N MET A 52 4.213 -14.316 -20.042 1.00 10.00 N ATOM 763 CA MET A 52 5.076 -15.471 -20.332 1.00 10.00 C ATOM 764 C MET A 52 4.931 -16.577 -19.274 1.00 10.00 C ATOM 765 O MET A 52 4.882 -17.753 -19.635 1.00 10.00 O ATOM 766 CB MET A 52 6.545 -15.043 -20.469 1.00 10.00 C ATOM 767 CG MET A 52 6.799 -14.006 -21.574 1.00 10.00 C ATOM 768 SD MET A 52 6.437 -14.535 -23.278 1.00 10.00 S ATOM 769 CE MET A 52 4.744 -13.913 -23.497 1.00 10.00 C ATOM 0 H MET A 52 4.728 -13.487 -19.746 1.00 10.00 H new ATOM 0 HA MET A 52 4.746 -15.884 -21.286 1.00 10.00 H new ATOM 0 HB2 MET A 52 6.882 -14.633 -19.517 1.00 10.00 H new ATOM 0 HB3 MET A 52 7.152 -15.926 -20.669 1.00 10.00 H new ATOM 0 HG2 MET A 52 6.201 -13.121 -21.356 1.00 10.00 H new ATOM 0 HG3 MET A 52 7.845 -13.703 -21.525 1.00 10.00 H new ATOM 0 HE1 MET A 52 4.032 -14.690 -23.219 1.00 10.00 H new ATOM 0 HE2 MET A 52 4.593 -13.039 -22.864 1.00 10.00 H new ATOM 0 HE3 MET A 52 4.590 -13.636 -24.540 1.00 10.00 H new ATOM 779 N ASP A 53 4.805 -16.231 -17.985 1.00 10.00 N ATOM 780 CA ASP A 53 4.594 -17.218 -16.917 1.00 10.00 C ATOM 781 C ASP A 53 3.281 -17.982 -17.140 1.00 10.00 C ATOM 782 O ASP A 53 3.242 -19.214 -17.108 1.00 10.00 O ATOM 783 CB ASP A 53 4.513 -16.519 -15.552 1.00 10.00 C ATOM 784 CG ASP A 53 5.816 -15.860 -15.084 1.00 10.00 C ATOM 785 OD1 ASP A 53 6.898 -16.489 -15.177 1.00 10.00 O ATOM 786 OD2 ASP A 53 5.731 -14.725 -14.560 1.00 10.00 O ATOM 0 H ASP A 53 4.846 -15.267 -17.655 1.00 10.00 H new ATOM 0 HA ASP A 53 5.435 -17.911 -16.935 1.00 10.00 H new ATOM 0 HB2 ASP A 53 3.734 -15.758 -15.596 1.00 10.00 H new ATOM 0 HB3 ASP A 53 4.204 -17.249 -14.804 1.00 10.00 H new ATOM 791 N ILE A 54 2.204 -17.240 -17.413 1.00 10.00 N ATOM 792 CA ILE A 54 0.870 -17.777 -17.677 1.00 10.00 C ATOM 793 C ILE A 54 0.865 -18.599 -18.975 1.00 10.00 C ATOM 794 O ILE A 54 0.258 -19.668 -19.008 1.00 10.00 O ATOM 795 CB ILE A 54 -0.148 -16.615 -17.641 1.00 10.00 C ATOM 796 CG1 ILE A 54 -0.274 -16.130 -16.174 1.00 10.00 C ATOM 797 CG2 ILE A 54 -1.520 -17.033 -18.192 1.00 10.00 C ATOM 798 CD1 ILE A 54 -1.022 -14.806 -16.001 1.00 10.00 C ATOM 0 H ILE A 54 2.239 -16.222 -17.457 1.00 10.00 H new ATOM 0 HA ILE A 54 0.568 -18.482 -16.903 1.00 10.00 H new ATOM 0 HB ILE A 54 0.210 -15.809 -18.281 1.00 10.00 H new ATOM 0 HG12 ILE A 54 -0.785 -16.899 -15.594 1.00 10.00 H new ATOM 0 HG13 ILE A 54 0.726 -16.025 -15.753 1.00 10.00 H new ATOM 0 HG21 ILE A 54 -2.204 -16.185 -18.147 1.00 10.00 H new ATOM 0 HG22 ILE A 54 -1.413 -17.359 -19.227 1.00 10.00 H new ATOM 0 HG23 ILE A 54 -1.918 -17.852 -17.593 1.00 10.00 H new ATOM 0 HD11 ILE A 54 -1.061 -14.546 -14.943 1.00 10.00 H new ATOM 0 HD12 ILE A 54 -0.502 -14.020 -16.549 1.00 10.00 H new ATOM 0 HD13 ILE A 54 -2.036 -14.908 -16.387 1.00 10.00 H new ATOM 810 N ALA A 55 1.580 -18.164 -20.019 1.00 10.00 N ATOM 811 CA ALA A 55 1.703 -18.913 -21.274 1.00 10.00 C ATOM 812 C ALA A 55 2.369 -20.289 -21.069 1.00 10.00 C ATOM 813 O ALA A 55 1.951 -21.272 -21.686 1.00 10.00 O ATOM 814 CB ALA A 55 2.463 -18.070 -22.305 1.00 10.00 C ATOM 0 H ALA A 55 2.090 -17.281 -20.017 1.00 10.00 H new ATOM 0 HA ALA A 55 0.700 -19.113 -21.650 1.00 10.00 H new ATOM 0 HB1 ALA A 55 2.553 -18.629 -23.237 1.00 10.00 H new ATOM 0 HB2 ALA A 55 1.920 -17.143 -22.489 1.00 10.00 H new ATOM 0 HB3 ALA A 55 3.457 -17.838 -21.923 1.00 10.00 H new ATOM 820 N GLU A 56 3.365 -20.393 -20.182 1.00 10.00 N ATOM 821 CA GLU A 56 3.996 -21.677 -19.848 1.00 10.00 C ATOM 822 C GLU A 56 3.038 -22.556 -19.028 1.00 10.00 C ATOM 823 O GLU A 56 2.880 -23.734 -19.337 1.00 10.00 O ATOM 824 CB GLU A 56 5.324 -21.469 -19.101 1.00 10.00 C ATOM 825 CG GLU A 56 6.436 -20.991 -20.045 1.00 10.00 C ATOM 826 CD GLU A 56 7.791 -20.909 -19.316 1.00 10.00 C ATOM 827 OE1 GLU A 56 8.454 -21.961 -19.143 1.00 10.00 O ATOM 828 OE2 GLU A 56 8.219 -19.795 -18.925 1.00 10.00 O ATOM 0 H GLU A 56 3.755 -19.596 -19.678 1.00 10.00 H new ATOM 0 HA GLU A 56 4.219 -22.193 -20.782 1.00 10.00 H new ATOM 0 HB2 GLU A 56 5.183 -20.738 -18.305 1.00 10.00 H new ATOM 0 HB3 GLU A 56 5.625 -22.403 -18.627 1.00 10.00 H new ATOM 0 HG2 GLU A 56 6.516 -21.674 -20.891 1.00 10.00 H new ATOM 0 HG3 GLU A 56 6.178 -20.012 -20.449 1.00 10.00 H new ATOM 835 N ILE A 57 2.334 -21.994 -18.036 1.00 10.00 N ATOM 836 CA ILE A 57 1.335 -22.710 -17.213 1.00 10.00 C ATOM 837 C ILE A 57 0.225 -23.309 -18.099 1.00 10.00 C ATOM 838 O ILE A 57 -0.167 -24.465 -17.923 1.00 10.00 O ATOM 839 CB ILE A 57 0.781 -21.734 -16.143 1.00 10.00 C ATOM 840 CG1 ILE A 57 1.857 -21.473 -15.062 1.00 10.00 C ATOM 841 CG2 ILE A 57 -0.518 -22.227 -15.478 1.00 10.00 C ATOM 842 CD1 ILE A 57 1.601 -20.207 -14.234 1.00 10.00 C ATOM 0 H ILE A 57 2.440 -21.014 -17.774 1.00 10.00 H new ATOM 0 HA ILE A 57 1.802 -23.551 -16.701 1.00 10.00 H new ATOM 0 HB ILE A 57 0.533 -20.809 -16.664 1.00 10.00 H new ATOM 0 HG12 ILE A 57 1.903 -22.332 -14.392 1.00 10.00 H new ATOM 0 HG13 ILE A 57 2.831 -21.391 -15.543 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -0.849 -21.496 -14.740 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -1.290 -22.352 -16.237 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -0.335 -23.182 -14.985 1.00 10.00 H new ATOM 0 HD11 ILE A 57 2.395 -20.088 -13.497 1.00 10.00 H new ATOM 0 HD12 ILE A 57 1.584 -19.339 -14.893 1.00 10.00 H new ATOM 0 HD13 ILE A 57 0.642 -20.294 -13.724 1.00 10.00 H new ATOM 854 N ARG A 58 -0.237 -22.548 -19.097 1.00 10.00 N ATOM 855 CA ARG A 58 -1.255 -22.918 -20.101 1.00 10.00 C ATOM 856 C ARG A 58 -0.844 -24.087 -21.013 1.00 10.00 C ATOM 857 O ARG A 58 -1.704 -24.692 -21.653 1.00 10.00 O ATOM 858 CB ARG A 58 -1.539 -21.654 -20.934 1.00 10.00 C ATOM 859 CG ARG A 58 -2.846 -21.657 -21.738 1.00 10.00 C ATOM 860 CD ARG A 58 -2.934 -20.352 -22.543 1.00 10.00 C ATOM 861 NE ARG A 58 -4.272 -20.149 -23.133 1.00 10.00 N ATOM 862 CZ ARG A 58 -5.261 -19.439 -22.617 1.00 10.00 C ATOM 863 NH1 ARG A 58 -5.202 -18.875 -21.447 1.00 10.00 N ATOM 864 NH2 ARG A 58 -6.372 -19.254 -23.261 1.00 10.00 N ATOM 0 H ARG A 58 0.107 -21.598 -19.239 1.00 10.00 H new ATOM 0 HA ARG A 58 -2.143 -23.276 -19.579 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -1.551 -20.796 -20.262 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -0.710 -21.506 -21.626 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -2.875 -22.516 -22.408 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -3.701 -21.746 -21.068 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -2.694 -19.510 -21.894 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -2.187 -20.366 -23.337 1.00 10.00 H new ATOM 0 HE ARG A 58 -4.452 -20.602 -24.029 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -4.361 -18.969 -20.877 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -5.996 -18.338 -21.099 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -6.498 -19.661 -24.188 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -7.120 -18.702 -22.840 1.00 10.00 H new ATOM 878 N ASN A 59 0.454 -24.399 -21.083 1.00 10.00 N ATOM 879 CA ASN A 59 1.033 -25.440 -21.949 1.00 10.00 C ATOM 880 C ASN A 59 1.897 -26.491 -21.212 1.00 10.00 C ATOM 881 O ASN A 59 2.494 -27.357 -21.856 1.00 10.00 O ATOM 882 CB ASN A 59 1.818 -24.735 -23.074 1.00 10.00 C ATOM 883 CG ASN A 59 0.917 -23.982 -24.039 1.00 10.00 C ATOM 884 OD1 ASN A 59 0.311 -24.555 -24.934 1.00 10.00 O ATOM 885 ND2 ASN A 59 0.793 -22.682 -23.897 1.00 10.00 N ATOM 0 H ASN A 59 1.157 -23.920 -20.521 1.00 10.00 H new ATOM 0 HA ASN A 59 0.212 -26.030 -22.357 1.00 10.00 H new ATOM 0 HB2 ASN A 59 2.531 -24.039 -22.632 1.00 10.00 H new ATOM 0 HB3 ASN A 59 2.396 -25.476 -23.627 1.00 10.00 H new ATOM 0 HD21 ASN A 59 0.193 -22.155 -24.532 1.00 10.00 H new ATOM 0 HD22 ASN A 59 1.296 -22.200 -23.152 1.00 10.00 H new ATOM 892 N ASN A 60 1.976 -26.431 -19.878 1.00 10.00 N ATOM 893 CA ASN A 60 2.782 -27.339 -19.044 1.00 10.00 C ATOM 894 C ASN A 60 2.090 -27.780 -17.735 1.00 10.00 C ATOM 895 O ASN A 60 2.475 -28.801 -17.160 1.00 10.00 O ATOM 896 CB ASN A 60 4.135 -26.653 -18.772 1.00 10.00 C ATOM 897 CG ASN A 60 5.160 -27.583 -18.142 1.00 10.00 C ATOM 898 OD1 ASN A 60 5.464 -27.509 -16.959 1.00 10.00 O ATOM 899 ND2 ASN A 60 5.737 -28.479 -18.913 1.00 10.00 N ATOM 0 H ASN A 60 1.470 -25.734 -19.332 1.00 10.00 H new ATOM 0 HA ASN A 60 2.923 -28.270 -19.593 1.00 10.00 H new ATOM 0 HB2 ASN A 60 4.533 -26.265 -19.709 1.00 10.00 H new ATOM 0 HB3 ASN A 60 3.976 -25.798 -18.115 1.00 10.00 H new ATOM 0 HD21 ASN A 60 6.437 -29.111 -18.525 1.00 10.00 H new ATOM 0 HD22 ASN A 60 5.484 -28.542 -19.899 1.00 10.00 H new ATOM 906 N ALA A 61 1.063 -27.054 -17.275 1.00 10.00 N ATOM 907 CA ALA A 61 0.297 -27.354 -16.057 1.00 10.00 C ATOM 908 C ALA A 61 -1.234 -27.322 -16.289 1.00 10.00 C ATOM 909 O ALA A 61 -2.013 -27.258 -15.332 1.00 10.00 O ATOM 910 CB ALA A 61 0.756 -26.376 -14.965 1.00 10.00 C ATOM 0 H ALA A 61 0.732 -26.217 -17.754 1.00 10.00 H new ATOM 0 HA ALA A 61 0.497 -28.377 -15.739 1.00 10.00 H new ATOM 0 HB1 ALA A 61 0.205 -26.573 -14.045 1.00 10.00 H new ATOM 0 HB2 ALA A 61 1.823 -26.507 -14.784 1.00 10.00 H new ATOM 0 HB3 ALA A 61 0.566 -25.353 -15.290 1.00 10.00 H new ATOM 916 N SER A 62 -1.668 -27.366 -17.558 1.00 10.00 N ATOM 917 CA SER A 62 -3.072 -27.314 -18.016 1.00 10.00 C ATOM 918 C SER A 62 -3.352 -28.295 -19.161 1.00 10.00 C ATOM 919 O SER A 62 -4.472 -28.852 -19.198 1.00 10.00 O ATOM 920 CB SER A 62 -3.429 -25.899 -18.481 1.00 10.00 C ATOM 921 OG SER A 62 -3.085 -24.957 -17.479 1.00 10.00 O ATOM 0 H SER A 62 -1.015 -27.443 -18.338 1.00 10.00 H new ATOM 0 HA SER A 62 -3.688 -27.601 -17.163 1.00 10.00 H new ATOM 0 HB2 SER A 62 -2.901 -25.667 -19.406 1.00 10.00 H new ATOM 0 HB3 SER A 62 -4.495 -25.837 -18.699 1.00 10.00 H new ATOM 0 HG SER A 62 -2.133 -24.737 -17.550 1.00 10.00 H new TER 927 SER A 62 HETATM 928 ZN ZN A 63 1.831 -20.010 0.782 1.00 10.00 ZN