USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 539 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 14 CYS SG : rot -97:sc= 0.778 USER MOD Set 1.2: A 63 TYR OH : rot -64:sc= 0.00943 USER MOD Single : A 1 ALA N :NH3+ 174:sc= 0.12 (180deg=0.11) USER MOD Single : A 2 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.19) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -147:sc= -2.16 (180deg=-4.42!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -1.93! USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.955 K(o=-0.95,f=-1.5) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -105:sc= 1.3 (180deg=-0.649) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00524) USER MOD Single : A 48 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 50 GLN : amide:sc=-0.00769 X(o=-0.0077,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -136:sc= -7.02! USER MOD Single : A 56 GLN : amide:sc= -0.605 K(o=-0.61,f=-0.067) USER MOD Single : A 59 ASN : amide:sc= -5.71! C(o=-5.7!,f=-8.5!) USER MOD Single : A 64 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.630 -7.732 -5.187 1.00 0.00 N ATOM 2 CA ALA A 1 -6.988 -6.429 -5.171 1.00 0.00 C ATOM 3 C ALA A 1 -7.914 -5.417 -4.493 1.00 0.00 C ATOM 4 O ALA A 1 -9.133 -5.490 -4.640 1.00 0.00 O ATOM 5 CB ALA A 1 -6.625 -6.021 -6.601 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.050 -8.398 -5.736 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.731 -8.081 -4.213 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.570 -7.650 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.062 -6.464 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.143 -5.043 -6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.943 -6.757 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.530 -5.972 -7.206 1.00 0.00 H new ATOM 11 N GLN A 2 -7.300 -4.496 -3.765 1.00 0.00 N ATOM 12 CA GLN A 2 -8.054 -3.471 -3.064 1.00 0.00 C ATOM 13 C GLN A 2 -7.207 -2.206 -2.903 1.00 0.00 C ATOM 14 O GLN A 2 -5.981 -2.280 -2.835 1.00 0.00 O ATOM 15 CB GLN A 2 -8.541 -3.981 -1.706 1.00 0.00 C ATOM 16 CG GLN A 2 -9.856 -4.749 -1.849 1.00 0.00 C ATOM 17 CD GLN A 2 -10.657 -4.712 -0.546 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.527 -5.564 0.317 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.490 -3.679 -0.452 1.00 0.00 N ATOM 0 H GLN A 2 -6.289 -4.438 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.933 -3.223 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.784 -4.628 -1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.679 -3.140 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.448 -4.317 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.649 -5.783 -2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.550 -3.001 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.069 -3.565 0.380 1.00 0.00 H new ATOM 28 N GLU A 3 -7.895 -1.076 -2.847 1.00 0.00 N ATOM 29 CA GLU A 3 -7.223 0.203 -2.696 1.00 0.00 C ATOM 30 C GLU A 3 -7.402 0.732 -1.271 1.00 0.00 C ATOM 31 O GLU A 3 -8.219 0.214 -0.511 1.00 0.00 O ATOM 32 CB GLU A 3 -7.731 1.215 -3.724 1.00 0.00 C ATOM 33 CG GLU A 3 -9.250 1.368 -3.640 1.00 0.00 C ATOM 34 CD GLU A 3 -9.744 2.471 -4.578 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.037 3.497 -4.669 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.818 2.263 -5.183 1.00 0.00 O ATOM 0 H GLU A 3 -8.912 -1.019 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.158 0.055 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.255 2.181 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.450 0.893 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.729 0.424 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.539 1.601 -2.615 1.00 0.00 H new ATOM 43 N PHE A 4 -6.625 1.757 -0.952 1.00 0.00 N ATOM 44 CA PHE A 4 -6.688 2.362 0.367 1.00 0.00 C ATOM 45 C PHE A 4 -6.600 3.886 0.277 1.00 0.00 C ATOM 46 O PHE A 4 -5.693 4.423 -0.358 1.00 0.00 O ATOM 47 CB PHE A 4 -5.486 1.839 1.157 1.00 0.00 C ATOM 48 CG PHE A 4 -4.976 0.476 0.684 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.810 -0.598 0.682 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.690 0.339 0.265 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.337 -1.864 0.244 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.217 -0.926 -0.173 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.050 -2.000 -0.175 1.00 0.00 C ATOM 0 H PHE A 4 -5.948 2.184 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.633 2.108 0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.675 2.564 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.759 1.768 2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.832 -0.489 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.028 1.192 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.999 -2.718 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.195 -1.035 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.690 -2.962 -0.509 1.00 0.00 H new ATOM 63 N SER A 5 -7.554 4.542 0.921 1.00 0.00 N ATOM 64 CA SER A 5 -7.596 5.994 0.921 1.00 0.00 C ATOM 65 C SER A 5 -6.684 6.544 2.020 1.00 0.00 C ATOM 66 O SER A 5 -6.805 6.158 3.182 1.00 0.00 O ATOM 67 CB SER A 5 -9.025 6.505 1.112 1.00 0.00 C ATOM 68 OG SER A 5 -9.054 7.811 1.680 1.00 0.00 O ATOM 0 H SER A 5 -8.304 4.094 1.447 1.00 0.00 H new ATOM 0 HA SER A 5 -7.241 6.346 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.537 6.517 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.573 5.817 1.756 1.00 0.00 H new ATOM 0 HG SER A 5 -9.984 8.102 1.784 1.00 0.00 H new ATOM 74 N VAL A 6 -5.793 7.436 1.614 1.00 0.00 N ATOM 75 CA VAL A 6 -4.861 8.042 2.550 1.00 0.00 C ATOM 76 C VAL A 6 -5.347 9.449 2.907 1.00 0.00 C ATOM 77 O VAL A 6 -5.713 10.225 2.026 1.00 0.00 O ATOM 78 CB VAL A 6 -3.448 8.028 1.965 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.413 8.420 3.022 1.00 0.00 C ATOM 80 CG2 VAL A 6 -3.120 6.663 1.356 1.00 0.00 C ATOM 0 H VAL A 6 -5.696 7.754 0.650 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.820 7.467 3.475 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.409 8.769 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.417 8.402 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.629 9.423 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.455 7.714 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.110 6.680 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.186 5.895 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.830 6.440 0.560 1.00 0.00 H new ATOM 90 N LYS A 7 -5.334 9.734 4.201 1.00 0.00 N ATOM 91 CA LYS A 7 -5.768 11.033 4.685 1.00 0.00 C ATOM 92 C LYS A 7 -4.784 11.533 5.744 1.00 0.00 C ATOM 93 O LYS A 7 -5.193 12.032 6.791 1.00 0.00 O ATOM 94 CB LYS A 7 -7.216 10.966 5.175 1.00 0.00 C ATOM 95 CG LYS A 7 -8.177 10.714 4.011 1.00 0.00 C ATOM 96 CD LYS A 7 -9.475 11.504 4.191 1.00 0.00 C ATOM 97 CE LYS A 7 -9.273 12.978 3.834 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.553 13.589 3.410 1.00 0.00 N ATOM 0 H LYS A 7 -5.030 9.087 4.929 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.763 11.762 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.317 10.171 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.479 11.899 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.701 10.999 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.401 9.649 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.255 11.077 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.816 11.419 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.874 13.515 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.538 13.067 3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.398 14.589 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.918 13.087 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.244 13.521 4.185 1.00 0.00 H new ATOM 112 N GLY A 8 -3.504 11.382 5.435 1.00 0.00 N ATOM 113 CA GLY A 8 -2.458 11.812 6.347 1.00 0.00 C ATOM 114 C GLY A 8 -1.123 11.967 5.616 1.00 0.00 C ATOM 115 O GLY A 8 -0.062 11.905 6.234 1.00 0.00 O ATOM 0 H GLY A 8 -3.168 10.968 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.738 12.760 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.353 11.086 7.154 1.00 0.00 H new ATOM 119 N MET A 9 -1.220 12.167 4.310 1.00 0.00 N ATOM 120 CA MET A 9 -0.033 12.332 3.488 1.00 0.00 C ATOM 121 C MET A 9 0.580 13.720 3.683 1.00 0.00 C ATOM 122 O MET A 9 -0.140 14.710 3.802 1.00 0.00 O ATOM 123 CB MET A 9 -0.401 12.139 2.015 1.00 0.00 C ATOM 124 CG MET A 9 0.450 11.038 1.378 1.00 0.00 C ATOM 125 SD MET A 9 0.958 11.531 -0.260 1.00 0.00 S ATOM 126 CE MET A 9 -0.341 10.781 -1.227 1.00 0.00 C ATOM 0 H MET A 9 -2.102 12.219 3.801 1.00 0.00 H new ATOM 0 HA MET A 9 0.701 11.585 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.457 11.882 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.256 13.074 1.474 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.326 10.841 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.120 10.110 1.327 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.058 10.466 -2.191 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.735 9.914 -0.697 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.141 11.504 -1.384 1.00 0.00 H new ATOM 136 N SER A 10 1.905 13.748 3.710 1.00 0.00 N ATOM 137 CA SER A 10 2.623 14.998 3.888 1.00 0.00 C ATOM 138 C SER A 10 3.405 15.339 2.618 1.00 0.00 C ATOM 139 O SER A 10 3.778 16.491 2.404 1.00 0.00 O ATOM 140 CB SER A 10 3.568 14.923 5.089 1.00 0.00 C ATOM 141 OG SER A 10 2.862 14.945 6.326 1.00 0.00 O ATOM 0 H SER A 10 2.499 12.925 3.612 1.00 0.00 H new ATOM 0 HA SER A 10 1.895 15.786 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.162 14.011 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.265 15.760 5.055 1.00 0.00 H new ATOM 0 HG SER A 10 3.500 14.894 7.068 1.00 0.00 H new ATOM 147 N CYS A 11 3.630 14.315 1.807 1.00 0.00 N ATOM 148 CA CYS A 11 4.360 14.491 0.564 1.00 0.00 C ATOM 149 C CYS A 11 5.850 14.289 0.849 1.00 0.00 C ATOM 150 O CYS A 11 6.221 13.434 1.651 1.00 0.00 O ATOM 151 CB CYS A 11 4.080 15.857 -0.068 1.00 0.00 C ATOM 152 SG CYS A 11 4.237 15.748 -1.888 1.00 0.00 S ATOM 0 H CYS A 11 3.319 13.360 1.987 1.00 0.00 H new ATOM 0 HA CYS A 11 4.027 13.752 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.078 16.192 0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.778 16.597 0.322 1.00 0.00 H new ATOM 0 HG CYS A 11 3.995 16.912 -2.415 1.00 0.00 H new ATOM 158 N ASN A 12 6.662 15.090 0.176 1.00 0.00 N ATOM 159 CA ASN A 12 8.103 15.010 0.347 1.00 0.00 C ATOM 160 C ASN A 12 8.600 13.663 -0.181 1.00 0.00 C ATOM 161 O ASN A 12 9.143 13.586 -1.282 1.00 0.00 O ATOM 162 CB ASN A 12 8.489 15.110 1.824 1.00 0.00 C ATOM 163 CG ASN A 12 9.035 16.501 2.154 1.00 0.00 C ATOM 164 OD1 ASN A 12 10.226 16.760 2.092 1.00 0.00 O ATOM 165 ND2 ASN A 12 8.101 17.379 2.509 1.00 0.00 N ATOM 0 H ASN A 12 6.350 15.798 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 12 8.554 15.838 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.619 14.900 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.239 14.355 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.364 18.335 2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.121 17.097 2.540 1.00 0.00 H new ATOM 172 N HIS A 13 8.397 12.634 0.629 1.00 0.00 N ATOM 173 CA HIS A 13 8.818 11.294 0.257 1.00 0.00 C ATOM 174 C HIS A 13 7.873 10.267 0.884 1.00 0.00 C ATOM 175 O HIS A 13 8.229 9.098 1.028 1.00 0.00 O ATOM 176 CB HIS A 13 10.282 11.061 0.634 1.00 0.00 C ATOM 177 CG HIS A 13 11.029 10.165 -0.326 1.00 0.00 C ATOM 178 ND1 HIS A 13 10.721 10.088 -1.673 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.072 9.310 -0.120 1.00 0.00 C ATOM 180 CE1 HIS A 13 11.547 9.223 -2.242 1.00 0.00 C ATOM 181 NE2 HIS A 13 12.383 8.741 -1.278 1.00 0.00 N ATOM 0 H HIS A 13 7.946 12.701 1.542 1.00 0.00 H new ATOM 0 HA HIS A 13 8.759 11.177 -0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.790 12.024 0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.324 10.623 1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.562 9.127 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.557 8.948 -3.286 1.00 0.00 H new ATOM 0 HE2 HIS A 13 13.125 8.056 -1.423 1.00 0.00 H new ATOM 189 N CYS A 14 6.688 10.740 1.239 1.00 0.00 N ATOM 190 CA CYS A 14 5.689 9.878 1.847 1.00 0.00 C ATOM 191 C CYS A 14 5.253 8.842 0.808 1.00 0.00 C ATOM 192 O CYS A 14 5.412 7.641 1.019 1.00 0.00 O ATOM 193 CB CYS A 14 4.503 10.679 2.387 1.00 0.00 C ATOM 194 SG CYS A 14 4.960 11.488 3.964 1.00 0.00 S ATOM 0 H CYS A 14 6.397 11.710 1.117 1.00 0.00 H new ATOM 0 HA CYS A 14 6.120 9.368 2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.199 11.430 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.648 10.020 2.541 1.00 0.00 H new ATOM 0 HG CYS A 14 4.545 10.763 4.960 1.00 0.00 H new ATOM 200 N VAL A 15 4.711 9.345 -0.291 1.00 0.00 N ATOM 201 CA VAL A 15 4.250 8.479 -1.362 1.00 0.00 C ATOM 202 C VAL A 15 5.243 7.329 -1.545 1.00 0.00 C ATOM 203 O VAL A 15 4.848 6.166 -1.603 1.00 0.00 O ATOM 204 CB VAL A 15 4.038 9.294 -2.640 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.163 8.409 -3.882 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.688 10.013 -2.613 1.00 0.00 C ATOM 0 H VAL A 15 4.581 10.342 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 15 3.285 8.039 -1.109 1.00 0.00 H new ATOM 0 HB VAL A 15 4.821 10.051 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.008 9.013 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.157 7.964 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.413 7.619 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.562 10.585 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.886 9.279 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.652 10.688 -1.758 1.00 0.00 H new ATOM 216 N ALA A 16 6.514 7.695 -1.631 1.00 0.00 N ATOM 217 CA ALA A 16 7.566 6.709 -1.807 1.00 0.00 C ATOM 218 C ALA A 16 7.635 5.817 -0.566 1.00 0.00 C ATOM 219 O ALA A 16 7.486 4.599 -0.663 1.00 0.00 O ATOM 220 CB ALA A 16 8.892 7.421 -2.087 1.00 0.00 C ATOM 0 H ALA A 16 6.838 8.661 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 16 7.352 6.069 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.681 6.681 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.800 8.019 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.140 8.071 -1.248 1.00 0.00 H new ATOM 226 N ARG A 17 7.860 6.456 0.572 1.00 0.00 N ATOM 227 CA ARG A 17 7.950 5.736 1.831 1.00 0.00 C ATOM 228 C ARG A 17 6.814 4.717 1.942 1.00 0.00 C ATOM 229 O ARG A 17 7.031 3.585 2.370 1.00 0.00 O ATOM 230 CB ARG A 17 7.884 6.695 3.021 1.00 0.00 C ATOM 231 CG ARG A 17 9.143 6.587 3.884 1.00 0.00 C ATOM 232 CD ARG A 17 9.673 7.972 4.257 1.00 0.00 C ATOM 233 NE ARG A 17 10.522 7.881 5.466 1.00 0.00 N ATOM 234 CZ ARG A 17 11.102 8.933 6.059 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.928 10.164 5.558 1.00 0.00 N ATOM 236 NH2 ARG A 17 11.856 8.756 7.152 1.00 0.00 N ATOM 0 H ARG A 17 7.983 7.466 0.649 1.00 0.00 H new ATOM 0 HA ARG A 17 8.910 5.219 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.772 7.718 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.005 6.471 3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.920 6.023 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.911 6.033 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.249 8.385 3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.841 8.652 4.437 1.00 0.00 H new ATOM 0 HE ARG A 17 10.675 6.959 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.354 10.299 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.369 10.965 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.989 7.819 7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.297 9.558 7.603 1.00 0.00 H new ATOM 250 N ILE A 18 5.628 5.157 1.549 1.00 0.00 N ATOM 251 CA ILE A 18 4.457 4.298 1.599 1.00 0.00 C ATOM 252 C ILE A 18 4.575 3.219 0.520 1.00 0.00 C ATOM 253 O ILE A 18 4.566 2.028 0.825 1.00 0.00 O ATOM 254 CB ILE A 18 3.177 5.130 1.499 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.133 6.201 2.591 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.937 4.234 1.525 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.891 7.083 2.444 1.00 0.00 C ATOM 0 H ILE A 18 5.453 6.097 1.195 1.00 0.00 H new ATOM 0 HA ILE A 18 4.402 3.785 2.559 1.00 0.00 H new ATOM 0 HB ILE A 18 3.180 5.648 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.132 5.726 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.030 6.818 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.041 4.851 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.970 3.542 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.915 3.670 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.884 7.836 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.908 7.576 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.996 6.467 2.523 1.00 0.00 H new ATOM 269 N GLU A 19 4.682 3.676 -0.719 1.00 0.00 N ATOM 270 CA GLU A 19 4.801 2.765 -1.845 1.00 0.00 C ATOM 271 C GLU A 19 5.875 1.712 -1.564 1.00 0.00 C ATOM 272 O GLU A 19 5.642 0.518 -1.750 1.00 0.00 O ATOM 273 CB GLU A 19 5.105 3.527 -3.137 1.00 0.00 C ATOM 274 CG GLU A 19 5.812 2.626 -4.151 1.00 0.00 C ATOM 275 CD GLU A 19 7.332 2.776 -4.052 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.795 3.933 -4.146 1.00 0.00 O ATOM 277 OE2 GLU A 19 7.996 1.730 -3.885 1.00 0.00 O ATOM 0 H GLU A 19 4.689 4.665 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 19 3.846 2.256 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.178 3.906 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.731 4.392 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.533 1.587 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.483 2.879 -5.159 1.00 0.00 H new ATOM 284 N GLU A 20 7.027 2.192 -1.120 1.00 0.00 N ATOM 285 CA GLU A 20 8.137 1.306 -0.811 1.00 0.00 C ATOM 286 C GLU A 20 7.775 0.390 0.360 1.00 0.00 C ATOM 287 O GLU A 20 7.931 -0.827 0.271 1.00 0.00 O ATOM 288 CB GLU A 20 9.408 2.104 -0.511 1.00 0.00 C ATOM 289 CG GLU A 20 10.658 1.305 -0.884 1.00 0.00 C ATOM 290 CD GLU A 20 11.698 1.358 0.237 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.611 0.490 1.132 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.556 2.265 0.173 1.00 0.00 O ATOM 0 H GLU A 20 7.216 3.183 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 20 8.335 0.685 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.392 3.042 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.439 2.361 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.385 0.269 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.088 1.704 -1.803 1.00 0.00 H new ATOM 299 N ALA A 21 7.300 1.009 1.430 1.00 0.00 N ATOM 300 CA ALA A 21 6.915 0.265 2.616 1.00 0.00 C ATOM 301 C ALA A 21 5.843 -0.761 2.244 1.00 0.00 C ATOM 302 O ALA A 21 5.792 -1.848 2.818 1.00 0.00 O ATOM 303 CB ALA A 21 6.440 1.237 3.698 1.00 0.00 C ATOM 0 H ALA A 21 7.173 2.019 1.500 1.00 0.00 H new ATOM 0 HA ALA A 21 7.768 -0.280 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.151 0.678 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.247 1.926 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.583 1.801 3.330 1.00 0.00 H new ATOM 309 N VAL A 22 5.012 -0.380 1.285 1.00 0.00 N ATOM 310 CA VAL A 22 3.944 -1.254 0.829 1.00 0.00 C ATOM 311 C VAL A 22 4.536 -2.364 -0.041 1.00 0.00 C ATOM 312 O VAL A 22 4.125 -3.520 0.056 1.00 0.00 O ATOM 313 CB VAL A 22 2.872 -0.436 0.106 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.908 -1.347 -0.657 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.115 0.464 1.086 1.00 0.00 C ATOM 0 H VAL A 22 5.057 0.522 0.811 1.00 0.00 H new ATOM 0 HA VAL A 22 3.453 -1.732 1.677 1.00 0.00 H new ATOM 0 HB VAL A 22 3.373 0.205 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.156 -0.740 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.462 -1.926 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.418 -2.025 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.359 1.034 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.632 -0.151 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.814 1.150 1.565 1.00 0.00 H new ATOM 325 N GLY A 23 5.492 -1.976 -0.873 1.00 0.00 N ATOM 326 CA GLY A 23 6.144 -2.924 -1.759 1.00 0.00 C ATOM 327 C GLY A 23 7.060 -3.866 -0.975 1.00 0.00 C ATOM 328 O GLY A 23 7.547 -4.858 -1.517 1.00 0.00 O ATOM 0 H GLY A 23 5.830 -1.017 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.392 -3.504 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.725 -2.387 -2.509 1.00 0.00 H new ATOM 332 N ARG A 24 7.267 -3.524 0.288 1.00 0.00 N ATOM 333 CA ARG A 24 8.116 -4.327 1.151 1.00 0.00 C ATOM 334 C ARG A 24 7.305 -5.456 1.791 1.00 0.00 C ATOM 335 O ARG A 24 7.873 -6.395 2.347 1.00 0.00 O ATOM 336 CB ARG A 24 8.745 -3.473 2.254 1.00 0.00 C ATOM 337 CG ARG A 24 9.311 -4.351 3.372 1.00 0.00 C ATOM 338 CD ARG A 24 10.451 -3.639 4.104 1.00 0.00 C ATOM 339 NE ARG A 24 11.593 -4.562 4.281 1.00 0.00 N ATOM 340 CZ ARG A 24 12.316 -5.065 3.272 1.00 0.00 C ATOM 341 NH1 ARG A 24 12.019 -4.738 2.007 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.336 -5.897 3.527 1.00 0.00 N ATOM 0 H ARG A 24 6.861 -2.701 0.734 1.00 0.00 H new ATOM 0 HA ARG A 24 8.911 -4.749 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.540 -2.857 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.998 -2.793 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.520 -4.601 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.673 -5.290 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.766 -2.762 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.105 -3.285 5.075 1.00 0.00 H new ATOM 0 HE ARG A 24 11.846 -4.833 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.242 -4.106 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.570 -5.121 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.562 -6.147 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.886 -6.280 2.758 1.00 0.00 H new ATOM 356 N ILE A 25 5.990 -5.328 1.691 1.00 0.00 N ATOM 357 CA ILE A 25 5.096 -6.326 2.252 1.00 0.00 C ATOM 358 C ILE A 25 5.264 -7.642 1.490 1.00 0.00 C ATOM 359 O ILE A 25 5.059 -7.692 0.278 1.00 0.00 O ATOM 360 CB ILE A 25 3.657 -5.806 2.272 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.567 -4.469 3.010 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.705 -6.850 2.858 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.213 -4.562 4.394 1.00 0.00 C ATOM 0 H ILE A 25 5.522 -4.548 1.230 1.00 0.00 H new ATOM 0 HA ILE A 25 5.353 -6.525 3.292 1.00 0.00 H new ATOM 0 HB ILE A 25 3.344 -5.627 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.061 -3.693 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.522 -4.175 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.689 -6.455 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.741 -7.756 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.006 -7.084 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.135 -3.598 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.701 -5.322 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.264 -4.832 4.288 1.00 0.00 H new ATOM 375 N SER A 26 5.635 -8.675 2.232 1.00 0.00 N ATOM 376 CA SER A 26 5.833 -9.988 1.641 1.00 0.00 C ATOM 377 C SER A 26 4.506 -10.522 1.098 1.00 0.00 C ATOM 378 O SER A 26 3.659 -10.981 1.861 1.00 0.00 O ATOM 379 CB SER A 26 6.423 -10.966 2.658 1.00 0.00 C ATOM 380 OG SER A 26 6.429 -12.305 2.169 1.00 0.00 O ATOM 0 H SER A 26 5.804 -8.630 3.237 1.00 0.00 H new ATOM 0 HA SER A 26 6.542 -9.890 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.442 -10.665 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.847 -10.920 3.582 1.00 0.00 H new ATOM 0 HG SER A 26 6.815 -12.899 2.846 1.00 0.00 H new ATOM 386 N GLY A 27 4.368 -10.445 -0.218 1.00 0.00 N ATOM 387 CA GLY A 27 3.159 -10.915 -0.872 1.00 0.00 C ATOM 388 C GLY A 27 2.682 -9.916 -1.928 1.00 0.00 C ATOM 389 O GLY A 27 1.766 -10.208 -2.696 1.00 0.00 O ATOM 0 H GLY A 27 5.074 -10.064 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.347 -11.882 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.375 -11.067 -0.130 1.00 0.00 H new ATOM 393 N VAL A 28 3.325 -8.757 -1.933 1.00 0.00 N ATOM 394 CA VAL A 28 2.979 -7.713 -2.882 1.00 0.00 C ATOM 395 C VAL A 28 3.892 -7.817 -4.105 1.00 0.00 C ATOM 396 O VAL A 28 5.115 -7.818 -3.972 1.00 0.00 O ATOM 397 CB VAL A 28 3.045 -6.344 -2.201 1.00 0.00 C ATOM 398 CG1 VAL A 28 3.100 -5.219 -3.237 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.868 -6.151 -1.243 1.00 0.00 C ATOM 0 H VAL A 28 4.084 -8.518 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 28 1.954 -7.839 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 28 3.963 -6.305 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.146 -4.257 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.985 -5.342 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.208 -5.256 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.939 -5.170 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.932 -6.220 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.893 -6.924 -0.475 1.00 0.00 H new ATOM 409 N LYS A 29 3.264 -7.903 -5.268 1.00 0.00 N ATOM 410 CA LYS A 29 4.005 -8.008 -6.513 1.00 0.00 C ATOM 411 C LYS A 29 4.295 -6.604 -7.048 1.00 0.00 C ATOM 412 O LYS A 29 5.433 -6.292 -7.397 1.00 0.00 O ATOM 413 CB LYS A 29 3.261 -8.903 -7.506 1.00 0.00 C ATOM 414 CG LYS A 29 4.241 -9.639 -8.422 1.00 0.00 C ATOM 415 CD LYS A 29 3.498 -10.389 -9.530 1.00 0.00 C ATOM 416 CE LYS A 29 3.646 -9.670 -10.873 1.00 0.00 C ATOM 417 NZ LYS A 29 2.321 -9.264 -11.392 1.00 0.00 N ATOM 0 H LYS A 29 2.250 -7.902 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 29 4.968 -8.491 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.652 -9.626 -6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.580 -8.299 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.937 -8.926 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.834 -10.342 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.888 -11.404 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.442 -10.473 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.281 -8.792 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.139 -10.326 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.439 -8.778 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.727 -10.107 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.864 -8.621 -10.714 1.00 0.00 H new ATOM 431 N LYS A 30 3.247 -5.796 -7.096 1.00 0.00 N ATOM 432 CA LYS A 30 3.375 -4.433 -7.583 1.00 0.00 C ATOM 433 C LYS A 30 2.637 -3.485 -6.635 1.00 0.00 C ATOM 434 O LYS A 30 1.713 -3.898 -5.935 1.00 0.00 O ATOM 435 CB LYS A 30 2.907 -4.336 -9.036 1.00 0.00 C ATOM 436 CG LYS A 30 3.570 -5.412 -9.899 1.00 0.00 C ATOM 437 CD LYS A 30 4.167 -4.804 -11.170 1.00 0.00 C ATOM 438 CE LYS A 30 5.599 -5.293 -11.392 1.00 0.00 C ATOM 439 NZ LYS A 30 5.708 -6.011 -12.682 1.00 0.00 N ATOM 0 H LYS A 30 2.305 -6.059 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 30 4.422 -4.128 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.823 -4.446 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.144 -3.349 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.353 -5.910 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.836 -6.173 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.551 -5.070 -12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.158 -3.717 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.285 -4.446 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.895 -5.952 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.687 -6.336 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.068 -6.831 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.446 -5.371 -13.459 1.00 0.00 H new ATOM 453 N VAL A 31 3.072 -2.234 -6.642 1.00 0.00 N ATOM 454 CA VAL A 31 2.464 -1.225 -5.792 1.00 0.00 C ATOM 455 C VAL A 31 2.665 0.155 -6.421 1.00 0.00 C ATOM 456 O VAL A 31 3.641 0.379 -7.135 1.00 0.00 O ATOM 457 CB VAL A 31 3.032 -1.324 -4.375 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.561 -1.275 -4.392 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.459 -0.227 -3.476 1.00 0.00 C ATOM 0 H VAL A 31 3.839 -1.896 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 31 1.390 -1.391 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 31 2.732 -2.287 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.939 -1.347 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.945 -2.108 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.890 -0.335 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.879 -0.321 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.714 0.750 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.375 -0.328 -3.425 1.00 0.00 H new ATOM 469 N LYS A 32 1.725 1.044 -6.134 1.00 0.00 N ATOM 470 CA LYS A 32 1.787 2.395 -6.662 1.00 0.00 C ATOM 471 C LYS A 32 0.995 3.333 -5.748 1.00 0.00 C ATOM 472 O LYS A 32 0.256 2.877 -4.877 1.00 0.00 O ATOM 473 CB LYS A 32 1.323 2.422 -8.120 1.00 0.00 C ATOM 474 CG LYS A 32 1.928 3.613 -8.866 1.00 0.00 C ATOM 475 CD LYS A 32 0.840 4.596 -9.303 1.00 0.00 C ATOM 476 CE LYS A 32 0.716 4.636 -10.827 1.00 0.00 C ATOM 477 NZ LYS A 32 1.588 5.691 -11.391 1.00 0.00 N ATOM 0 H LYS A 32 0.916 0.854 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 32 2.817 2.753 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.611 1.494 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.235 2.479 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.646 4.122 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.476 3.259 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.115 4.305 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.073 5.592 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.990 3.668 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.320 4.823 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.492 5.704 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.308 6.615 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.578 5.495 -11.138 1.00 0.00 H new ATOM 491 N VAL A 33 1.177 4.625 -5.978 1.00 0.00 N ATOM 492 CA VAL A 33 0.489 5.630 -5.186 1.00 0.00 C ATOM 493 C VAL A 33 0.288 6.889 -6.032 1.00 0.00 C ATOM 494 O VAL A 33 1.211 7.343 -6.706 1.00 0.00 O ATOM 495 CB VAL A 33 1.261 5.896 -3.892 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.685 7.102 -3.148 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.276 4.655 -2.998 1.00 0.00 C ATOM 0 H VAL A 33 1.791 4.999 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.498 5.274 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 33 2.292 6.129 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.252 7.269 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.751 7.986 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.359 6.911 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.831 4.871 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.253 4.377 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.755 3.831 -3.527 1.00 0.00 H new ATOM 507 N GLN A 34 -0.926 7.418 -5.968 1.00 0.00 N ATOM 508 CA GLN A 34 -1.260 8.616 -6.719 1.00 0.00 C ATOM 509 C GLN A 34 -1.391 9.814 -5.777 1.00 0.00 C ATOM 510 O GLN A 34 -2.403 9.965 -5.095 1.00 0.00 O ATOM 511 CB GLN A 34 -2.541 8.414 -7.531 1.00 0.00 C ATOM 512 CG GLN A 34 -2.475 7.122 -8.348 1.00 0.00 C ATOM 513 CD GLN A 34 -2.216 7.421 -9.826 1.00 0.00 C ATOM 514 OE1 GLN A 34 -2.264 8.554 -10.275 1.00 0.00 O ATOM 515 NE2 GLN A 34 -1.942 6.343 -10.556 1.00 0.00 N ATOM 0 H GLN A 34 -1.689 7.039 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.451 8.818 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.399 8.381 -6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.691 9.263 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.684 6.481 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.411 6.573 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.918 5.423 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.756 6.437 -11.555 1.00 0.00 H new ATOM 524 N LEU A 35 -0.352 10.637 -5.769 1.00 0.00 N ATOM 525 CA LEU A 35 -0.338 11.817 -4.922 1.00 0.00 C ATOM 526 C LEU A 35 -1.510 12.725 -5.300 1.00 0.00 C ATOM 527 O LEU A 35 -2.036 12.637 -6.409 1.00 0.00 O ATOM 528 CB LEU A 35 1.024 12.510 -4.991 1.00 0.00 C ATOM 529 CG LEU A 35 1.191 13.750 -4.110 1.00 0.00 C ATOM 530 CD1 LEU A 35 1.038 13.395 -2.630 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.520 14.451 -4.397 1.00 0.00 C ATOM 0 H LEU A 35 0.486 10.509 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.475 11.538 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.792 11.787 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.212 12.796 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 35 0.396 14.454 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.161 14.294 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.047 12.974 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.796 12.663 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.614 15.329 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.344 13.766 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.551 14.758 -5.442 1.00 0.00 H new ATOM 543 N LYS A 36 -1.886 13.577 -4.357 1.00 0.00 N ATOM 544 CA LYS A 36 -2.986 14.500 -4.578 1.00 0.00 C ATOM 545 C LYS A 36 -4.257 13.707 -4.888 1.00 0.00 C ATOM 546 O LYS A 36 -5.241 14.267 -5.369 1.00 0.00 O ATOM 547 CB LYS A 36 -2.620 15.521 -5.657 1.00 0.00 C ATOM 548 CG LYS A 36 -3.538 16.744 -5.588 1.00 0.00 C ATOM 549 CD LYS A 36 -2.889 17.955 -6.261 1.00 0.00 C ATOM 550 CE LYS A 36 -2.420 18.974 -5.222 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.739 20.350 -5.665 1.00 0.00 N ATOM 0 H LYS A 36 -1.448 13.647 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.183 15.080 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.583 15.833 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.697 15.059 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.487 16.519 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.761 16.978 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.042 17.629 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.602 18.424 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.900 18.773 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.346 18.876 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.414 21.030 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.261 20.544 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.767 20.445 -5.791 1.00 0.00 H new ATOM 565 N LYS A 37 -4.196 12.415 -4.599 1.00 0.00 N ATOM 566 CA LYS A 37 -5.330 11.539 -4.840 1.00 0.00 C ATOM 567 C LYS A 37 -5.806 10.950 -3.511 1.00 0.00 C ATOM 568 O LYS A 37 -7.000 10.724 -3.321 1.00 0.00 O ATOM 569 CB LYS A 37 -4.977 10.483 -5.890 1.00 0.00 C ATOM 570 CG LYS A 37 -6.090 10.352 -6.932 1.00 0.00 C ATOM 571 CD LYS A 37 -5.515 10.011 -8.308 1.00 0.00 C ATOM 572 CE LYS A 37 -6.275 10.742 -9.416 1.00 0.00 C ATOM 573 NZ LYS A 37 -5.332 11.290 -10.417 1.00 0.00 N ATOM 0 H LYS A 37 -3.378 11.954 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.165 12.102 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.043 10.753 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.815 9.521 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.791 9.576 -6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.651 11.285 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.461 10.285 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.571 8.935 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.971 10.057 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.868 11.549 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.864 11.783 -11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.684 11.959 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.784 10.513 -10.839 1.00 0.00 H new ATOM 587 N GLU A 38 -4.848 10.719 -2.626 1.00 0.00 N ATOM 588 CA GLU A 38 -5.155 10.161 -1.320 1.00 0.00 C ATOM 589 C GLU A 38 -5.620 8.710 -1.459 1.00 0.00 C ATOM 590 O GLU A 38 -6.490 8.259 -0.715 1.00 0.00 O ATOM 591 CB GLU A 38 -6.204 11.006 -0.595 1.00 0.00 C ATOM 592 CG GLU A 38 -5.543 12.119 0.221 1.00 0.00 C ATOM 593 CD GLU A 38 -6.539 12.748 1.197 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.747 12.711 0.878 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.070 13.253 2.240 1.00 0.00 O ATOM 0 H GLU A 38 -3.859 10.908 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.246 10.175 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.891 11.441 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.797 10.371 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.694 11.715 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.153 12.884 -0.450 1.00 0.00 H new ATOM 602 N LYS A 39 -5.019 8.018 -2.416 1.00 0.00 N ATOM 603 CA LYS A 39 -5.361 6.628 -2.662 1.00 0.00 C ATOM 604 C LYS A 39 -4.122 5.884 -3.165 1.00 0.00 C ATOM 605 O LYS A 39 -3.299 6.453 -3.880 1.00 0.00 O ATOM 606 CB LYS A 39 -6.562 6.530 -3.605 1.00 0.00 C ATOM 607 CG LYS A 39 -7.165 7.911 -3.871 1.00 0.00 C ATOM 608 CD LYS A 39 -8.207 8.268 -2.809 1.00 0.00 C ATOM 609 CE LYS A 39 -9.540 8.650 -3.457 1.00 0.00 C ATOM 610 NZ LYS A 39 -9.448 9.991 -4.078 1.00 0.00 N ATOM 0 H LYS A 39 -4.297 8.395 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.671 6.143 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.253 6.077 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.318 5.877 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.375 8.662 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.627 7.926 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.354 7.421 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.843 9.096 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.810 7.911 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.331 8.643 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.950 10.683 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.449 10.267 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.881 9.966 -5.023 1.00 0.00 H new ATOM 624 N ALA A 40 -4.029 4.622 -2.771 1.00 0.00 N ATOM 625 CA ALA A 40 -2.904 3.794 -3.173 1.00 0.00 C ATOM 626 C ALA A 40 -3.427 2.522 -3.842 1.00 0.00 C ATOM 627 O ALA A 40 -4.507 2.038 -3.507 1.00 0.00 O ATOM 628 CB ALA A 40 -2.030 3.494 -1.954 1.00 0.00 C ATOM 0 H ALA A 40 -4.714 4.153 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.282 4.317 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.186 2.873 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.660 4.429 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.620 2.966 -1.205 1.00 0.00 H new ATOM 634 N VAL A 41 -2.636 2.015 -4.777 1.00 0.00 N ATOM 635 CA VAL A 41 -3.006 0.808 -5.497 1.00 0.00 C ATOM 636 C VAL A 41 -1.969 -0.282 -5.221 1.00 0.00 C ATOM 637 O VAL A 41 -0.767 -0.037 -5.310 1.00 0.00 O ATOM 638 CB VAL A 41 -3.168 1.116 -6.987 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.865 -0.037 -7.712 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.921 2.431 -7.196 1.00 0.00 C ATOM 0 H VAL A 41 -1.740 2.418 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.970 0.436 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.173 1.229 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.968 0.207 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.272 -0.945 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.852 -0.195 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.023 2.626 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.910 2.359 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.367 3.246 -6.729 1.00 0.00 H new ATOM 650 N VAL A 42 -2.472 -1.463 -4.893 1.00 0.00 N ATOM 651 CA VAL A 42 -1.604 -2.592 -4.603 1.00 0.00 C ATOM 652 C VAL A 42 -1.977 -3.763 -5.515 1.00 0.00 C ATOM 653 O VAL A 42 -3.122 -3.875 -5.950 1.00 0.00 O ATOM 654 CB VAL A 42 -1.681 -2.944 -3.116 1.00 0.00 C ATOM 655 CG1 VAL A 42 -3.063 -3.490 -2.753 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.580 -3.933 -2.730 1.00 0.00 C ATOM 0 H VAL A 42 -3.470 -1.663 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.564 -2.337 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.523 -2.029 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.091 -3.732 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.821 -2.738 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.264 -4.389 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.657 -4.167 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.692 -4.848 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.395 -3.490 -2.934 1.00 0.00 H new ATOM 666 N LYS A 43 -0.988 -4.606 -5.776 1.00 0.00 N ATOM 667 CA LYS A 43 -1.198 -5.764 -6.628 1.00 0.00 C ATOM 668 C LYS A 43 -0.587 -6.999 -5.962 1.00 0.00 C ATOM 669 O LYS A 43 0.350 -7.594 -6.492 1.00 0.00 O ATOM 670 CB LYS A 43 -0.665 -5.497 -8.037 1.00 0.00 C ATOM 671 CG LYS A 43 -1.376 -6.376 -9.068 1.00 0.00 C ATOM 672 CD LYS A 43 -0.981 -5.979 -10.492 1.00 0.00 C ATOM 673 CE LYS A 43 -2.128 -5.253 -11.197 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.357 -3.926 -10.583 1.00 0.00 N ATOM 0 H LYS A 43 -0.040 -4.510 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.263 -5.961 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.807 -4.446 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.407 -5.690 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.124 -7.422 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.455 -6.284 -8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.102 -5.335 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.706 -6.869 -11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.896 -5.135 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.037 -5.851 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.104 -3.426 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.649 -4.048 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.479 -3.371 -10.619 1.00 0.00 H new ATOM 688 N PHE A 44 -1.143 -7.347 -4.811 1.00 0.00 N ATOM 689 CA PHE A 44 -0.664 -8.500 -4.067 1.00 0.00 C ATOM 690 C PHE A 44 -1.673 -9.648 -4.126 1.00 0.00 C ATOM 691 O PHE A 44 -2.655 -9.579 -4.864 1.00 0.00 O ATOM 692 CB PHE A 44 -0.498 -8.056 -2.612 1.00 0.00 C ATOM 693 CG PHE A 44 -1.809 -7.661 -1.929 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.976 -7.693 -2.627 1.00 0.00 C ATOM 695 CD2 PHE A 44 -1.807 -7.278 -0.624 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.192 -7.326 -1.993 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.023 -6.911 0.010 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.190 -6.943 -0.687 1.00 0.00 C ATOM 0 H PHE A 44 -1.921 -6.851 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 44 0.274 -8.855 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.035 -8.865 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.188 -7.209 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.978 -7.998 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.880 -7.253 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.119 -7.351 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.021 -6.606 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.115 -6.665 -0.204 1.00 0.00 H new ATOM 708 N ASP A 45 -1.397 -10.677 -3.339 1.00 0.00 N ATOM 709 CA ASP A 45 -2.269 -11.839 -3.292 1.00 0.00 C ATOM 710 C ASP A 45 -3.188 -11.732 -2.073 1.00 0.00 C ATOM 711 O ASP A 45 -2.717 -11.579 -0.947 1.00 0.00 O ATOM 712 CB ASP A 45 -1.459 -13.130 -3.162 1.00 0.00 C ATOM 713 CG ASP A 45 -2.293 -14.410 -3.071 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.536 -14.280 -3.095 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.668 -15.489 -2.981 1.00 0.00 O ATOM 0 H ASP A 45 -0.582 -10.731 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.845 -11.867 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.791 -13.210 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.831 -13.059 -2.274 1.00 0.00 H new ATOM 720 N GLU A 46 -4.483 -11.818 -2.340 1.00 0.00 N ATOM 721 CA GLU A 46 -5.473 -11.733 -1.279 1.00 0.00 C ATOM 722 C GLU A 46 -5.546 -13.056 -0.515 1.00 0.00 C ATOM 723 O GLU A 46 -5.921 -13.081 0.657 1.00 0.00 O ATOM 724 CB GLU A 46 -6.844 -11.346 -1.838 1.00 0.00 C ATOM 725 CG GLU A 46 -7.596 -10.437 -0.864 1.00 0.00 C ATOM 726 CD GLU A 46 -7.177 -8.976 -1.041 1.00 0.00 C ATOM 727 OE1 GLU A 46 -7.659 -8.363 -2.018 1.00 0.00 O ATOM 728 OE2 GLU A 46 -6.385 -8.507 -0.197 1.00 0.00 O ATOM 0 H GLU A 46 -4.870 -11.946 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.167 -10.951 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.721 -10.837 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.430 -12.245 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.670 -10.533 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.399 -10.754 0.160 1.00 0.00 H new ATOM 735 N ALA A 47 -5.182 -14.125 -1.208 1.00 0.00 N ATOM 736 CA ALA A 47 -5.201 -15.448 -0.609 1.00 0.00 C ATOM 737 C ALA A 47 -3.870 -15.702 0.099 1.00 0.00 C ATOM 738 O ALA A 47 -3.531 -16.846 0.401 1.00 0.00 O ATOM 739 CB ALA A 47 -5.497 -16.493 -1.688 1.00 0.00 C ATOM 0 H ALA A 47 -4.872 -14.101 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.991 -15.519 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.511 -17.486 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.467 -16.285 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.724 -16.453 -2.455 1.00 0.00 H new ATOM 745 N ASN A 48 -3.150 -14.617 0.345 1.00 0.00 N ATOM 746 CA ASN A 48 -1.863 -14.708 1.013 1.00 0.00 C ATOM 747 C ASN A 48 -1.733 -13.563 2.019 1.00 0.00 C ATOM 748 O ASN A 48 -1.297 -13.773 3.150 1.00 0.00 O ATOM 749 CB ASN A 48 -0.713 -14.590 0.011 1.00 0.00 C ATOM 750 CG ASN A 48 0.260 -15.762 0.151 1.00 0.00 C ATOM 751 OD1 ASN A 48 1.409 -15.607 0.531 1.00 0.00 O ATOM 752 ND2 ASN A 48 -0.262 -16.941 -0.175 1.00 0.00 N ATOM 0 H ASN A 48 -3.434 -13.670 0.093 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.809 -15.676 1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.111 -14.563 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.182 -13.651 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.307 -17.785 -0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.232 -17.001 -0.486 1.00 0.00 H new ATOM 759 N VAL A 49 -2.119 -12.378 1.571 1.00 0.00 N ATOM 760 CA VAL A 49 -2.051 -11.199 2.418 1.00 0.00 C ATOM 761 C VAL A 49 -3.368 -10.427 2.316 1.00 0.00 C ATOM 762 O VAL A 49 -4.076 -10.529 1.315 1.00 0.00 O ATOM 763 CB VAL A 49 -0.832 -10.355 2.043 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.982 -9.769 0.638 1.00 0.00 C ATOM 765 CG2 VAL A 49 -0.591 -9.251 3.075 1.00 0.00 C ATOM 0 H VAL A 49 -2.480 -12.208 0.632 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.922 -11.485 3.462 1.00 0.00 H new ATOM 0 HB VAL A 49 0.040 -11.009 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.102 -9.173 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.082 -10.578 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.869 -9.137 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.281 -8.666 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.465 -8.601 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.418 -9.699 4.053 1.00 0.00 H new ATOM 775 N GLN A 50 -3.657 -9.671 3.365 1.00 0.00 N ATOM 776 CA GLN A 50 -4.876 -8.881 3.406 1.00 0.00 C ATOM 777 C GLN A 50 -4.557 -7.401 3.187 1.00 0.00 C ATOM 778 O GLN A 50 -3.546 -6.901 3.677 1.00 0.00 O ATOM 779 CB GLN A 50 -5.621 -9.092 4.726 1.00 0.00 C ATOM 780 CG GLN A 50 -5.616 -10.568 5.129 1.00 0.00 C ATOM 781 CD GLN A 50 -6.839 -10.907 5.983 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.968 -10.491 7.122 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.728 -11.685 5.370 1.00 0.00 N ATOM 0 H GLN A 50 -3.068 -9.589 4.193 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.530 -9.214 2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.155 -8.496 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.648 -8.742 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.607 -11.193 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.706 -10.794 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.558 -11.998 4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.579 -11.968 5.856 1.00 0.00 H new ATOM 792 N ALA A 51 -5.439 -6.741 2.450 1.00 0.00 N ATOM 793 CA ALA A 51 -5.264 -5.329 2.160 1.00 0.00 C ATOM 794 C ALA A 51 -5.175 -4.550 3.474 1.00 0.00 C ATOM 795 O ALA A 51 -4.336 -3.662 3.618 1.00 0.00 O ATOM 796 CB ALA A 51 -6.411 -4.844 1.271 1.00 0.00 C ATOM 0 H ALA A 51 -6.277 -7.159 2.045 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.336 -5.162 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.280 -3.784 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.412 -5.408 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.359 -4.994 1.787 1.00 0.00 H new ATOM 802 N THR A 52 -6.053 -4.910 4.399 1.00 0.00 N ATOM 803 CA THR A 52 -6.084 -4.257 5.696 1.00 0.00 C ATOM 804 C THR A 52 -4.684 -4.224 6.311 1.00 0.00 C ATOM 805 O THR A 52 -4.316 -3.256 6.976 1.00 0.00 O ATOM 806 CB THR A 52 -7.114 -4.981 6.566 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.581 -3.976 7.461 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.474 -6.027 7.481 1.00 0.00 C ATOM 0 H THR A 52 -6.748 -5.646 4.275 1.00 0.00 H new ATOM 0 HA THR A 52 -6.389 -3.214 5.606 1.00 0.00 H new ATOM 0 HB THR A 52 -7.855 -5.462 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.254 -4.360 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.248 -6.511 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.961 -6.774 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.757 -5.541 8.143 1.00 0.00 H new ATOM 816 N GLU A 53 -3.941 -5.294 6.068 1.00 0.00 N ATOM 817 CA GLU A 53 -2.589 -5.400 6.590 1.00 0.00 C ATOM 818 C GLU A 53 -1.721 -4.260 6.052 1.00 0.00 C ATOM 819 O GLU A 53 -1.006 -3.608 6.812 1.00 0.00 O ATOM 820 CB GLU A 53 -1.977 -6.761 6.253 1.00 0.00 C ATOM 821 CG GLU A 53 -1.326 -7.390 7.487 1.00 0.00 C ATOM 822 CD GLU A 53 0.173 -7.604 7.267 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.506 -8.425 6.386 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.952 -6.940 7.985 1.00 0.00 O ATOM 0 H GLU A 53 -4.250 -6.095 5.517 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.632 -5.316 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.750 -7.426 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.233 -6.644 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.482 -6.746 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.805 -8.344 7.709 1.00 0.00 H new ATOM 831 N ILE A 54 -1.813 -4.054 4.747 1.00 0.00 N ATOM 832 CA ILE A 54 -1.046 -3.004 4.099 1.00 0.00 C ATOM 833 C ILE A 54 -1.439 -1.650 4.692 1.00 0.00 C ATOM 834 O ILE A 54 -0.590 -0.782 4.884 1.00 0.00 O ATOM 835 CB ILE A 54 -1.210 -3.081 2.579 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.481 -4.300 2.010 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.758 -1.780 1.913 1.00 0.00 C ATOM 838 CD1 ILE A 54 -0.512 -4.291 0.480 1.00 0.00 C ATOM 0 H ILE A 54 -2.407 -4.597 4.120 1.00 0.00 H new ATOM 0 HA ILE A 54 0.019 -3.138 4.289 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.269 -3.206 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.552 -4.305 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.946 -5.213 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.885 -1.861 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.359 -0.951 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.292 -1.600 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.013 -5.168 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.546 -4.310 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.024 -3.388 0.112 1.00 0.00 H new ATOM 850 N CYS A 55 -2.728 -1.513 4.967 1.00 0.00 N ATOM 851 CA CYS A 55 -3.245 -0.279 5.535 1.00 0.00 C ATOM 852 C CYS A 55 -2.514 -0.013 6.852 1.00 0.00 C ATOM 853 O CYS A 55 -2.163 1.126 7.153 1.00 0.00 O ATOM 854 CB CYS A 55 -4.762 -0.335 5.725 1.00 0.00 C ATOM 855 SG CYS A 55 -5.575 0.895 4.641 1.00 0.00 S ATOM 0 H CYS A 55 -3.430 -2.236 4.807 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.062 0.546 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.129 -1.335 5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.014 -0.136 6.767 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.501 1.517 5.309 1.00 0.00 H new ATOM 861 N GLN A 56 -2.305 -1.085 7.603 1.00 0.00 N ATOM 862 CA GLN A 56 -1.623 -0.983 8.881 1.00 0.00 C ATOM 863 C GLN A 56 -0.181 -0.514 8.677 1.00 0.00 C ATOM 864 O GLN A 56 0.241 0.482 9.263 1.00 0.00 O ATOM 865 CB GLN A 56 -1.664 -2.314 9.634 1.00 0.00 C ATOM 866 CG GLN A 56 -2.000 -2.099 11.111 1.00 0.00 C ATOM 867 CD GLN A 56 -0.745 -2.205 11.980 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.557 -3.147 12.731 1.00 0.00 O ATOM 869 NE2 GLN A 56 0.101 -1.188 11.835 1.00 0.00 N ATOM 0 H GLN A 56 -2.597 -2.029 7.350 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.144 -0.243 9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.407 -2.970 9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.700 -2.815 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.457 -1.119 11.245 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.733 -2.839 11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.118 -0.431 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.969 -1.166 12.371 1.00 0.00 H new ATOM 878 N ALA A 57 0.536 -1.253 7.842 1.00 0.00 N ATOM 879 CA ALA A 57 1.921 -0.925 7.553 1.00 0.00 C ATOM 880 C ALA A 57 1.995 0.487 6.969 1.00 0.00 C ATOM 881 O ALA A 57 3.049 1.121 7.001 1.00 0.00 O ATOM 882 CB ALA A 57 2.509 -1.978 6.611 1.00 0.00 C ATOM 0 H ALA A 57 0.183 -2.078 7.357 1.00 0.00 H new ATOM 0 HA ALA A 57 2.517 -0.935 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.548 -1.732 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.459 -2.958 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.939 -1.995 5.682 1.00 0.00 H new ATOM 888 N ILE A 58 0.863 0.938 6.449 1.00 0.00 N ATOM 889 CA ILE A 58 0.787 2.263 5.858 1.00 0.00 C ATOM 890 C ILE A 58 0.738 3.311 6.972 1.00 0.00 C ATOM 891 O ILE A 58 1.631 4.151 7.079 1.00 0.00 O ATOM 892 CB ILE A 58 -0.388 2.348 4.882 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.046 1.676 3.551 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.840 3.797 4.693 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.313 1.222 2.824 1.00 0.00 C ATOM 0 H ILE A 58 -0.009 0.409 6.425 1.00 0.00 H new ATOM 0 HA ILE A 58 1.679 2.468 5.266 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.228 1.802 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.510 2.371 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.603 0.818 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.676 3.829 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.153 4.209 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.014 4.387 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.041 0.748 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.854 0.509 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.948 2.085 2.626 1.00 0.00 H new ATOM 907 N ASN A 59 -0.313 3.228 7.773 1.00 0.00 N ATOM 908 CA ASN A 59 -0.490 4.159 8.875 1.00 0.00 C ATOM 909 C ASN A 59 0.621 3.941 9.904 1.00 0.00 C ATOM 910 O ASN A 59 1.014 4.872 10.605 1.00 0.00 O ATOM 911 CB ASN A 59 -1.833 3.936 9.574 1.00 0.00 C ATOM 912 CG ASN A 59 -1.764 2.739 10.525 1.00 0.00 C ATOM 913 OD1 ASN A 59 -0.933 2.667 11.414 1.00 0.00 O ATOM 914 ND2 ASN A 59 -2.683 1.807 10.287 1.00 0.00 N ATOM 0 H ASN A 59 -1.051 2.530 7.681 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.458 5.171 8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.111 4.831 10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.611 3.769 8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.721 0.968 10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.350 1.931 9.525 1.00 0.00 H new ATOM 921 N GLU A 60 1.095 2.705 9.963 1.00 0.00 N ATOM 922 CA GLU A 60 2.153 2.353 10.894 1.00 0.00 C ATOM 923 C GLU A 60 3.298 3.364 10.805 1.00 0.00 C ATOM 924 O GLU A 60 4.086 3.499 11.739 1.00 0.00 O ATOM 925 CB GLU A 60 2.657 0.931 10.640 1.00 0.00 C ATOM 926 CG GLU A 60 3.789 0.570 11.604 1.00 0.00 C ATOM 927 CD GLU A 60 4.423 -0.771 11.227 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.730 -1.553 10.541 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.585 -0.984 11.634 1.00 0.00 O ATOM 0 H GLU A 60 0.765 1.935 9.381 1.00 0.00 H new ATOM 0 HA GLU A 60 1.745 2.384 11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.836 0.224 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.008 0.844 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.548 1.352 11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.403 0.520 12.622 1.00 0.00 H new ATOM 936 N LEU A 61 3.353 4.049 9.672 1.00 0.00 N ATOM 937 CA LEU A 61 4.388 5.044 9.449 1.00 0.00 C ATOM 938 C LEU A 61 4.069 6.298 10.265 1.00 0.00 C ATOM 939 O LEU A 61 4.738 6.584 11.256 1.00 0.00 O ATOM 940 CB LEU A 61 4.559 5.312 7.952 1.00 0.00 C ATOM 941 CG LEU A 61 4.603 4.076 7.050 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.565 4.474 5.573 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.816 3.202 7.377 1.00 0.00 C ATOM 0 H LEU A 61 2.698 3.934 8.899 1.00 0.00 H new ATOM 0 HA LEU A 61 5.353 4.674 9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.739 5.950 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.480 5.876 7.807 1.00 0.00 H new ATOM 0 HG LEU A 61 3.713 3.478 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.597 3.578 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.646 5.024 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.424 5.105 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.824 2.331 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.730 3.777 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.760 2.875 8.415 1.00 0.00 H new ATOM 955 N GLY A 62 3.046 7.012 9.818 1.00 0.00 N ATOM 956 CA GLY A 62 2.630 8.229 10.495 1.00 0.00 C ATOM 957 C GLY A 62 1.560 8.966 9.688 1.00 0.00 C ATOM 958 O GLY A 62 1.560 10.195 9.627 1.00 0.00 O ATOM 0 H GLY A 62 2.493 6.771 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.241 7.985 11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.492 8.880 10.643 1.00 0.00 H new ATOM 962 N TYR A 63 0.673 8.186 9.088 1.00 0.00 N ATOM 963 CA TYR A 63 -0.400 8.750 8.288 1.00 0.00 C ATOM 964 C TYR A 63 -1.675 7.912 8.412 1.00 0.00 C ATOM 965 O TYR A 63 -1.690 6.898 9.106 1.00 0.00 O ATOM 966 CB TYR A 63 0.086 8.704 6.838 1.00 0.00 C ATOM 967 CG TYR A 63 1.609 8.747 6.691 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.308 9.873 7.077 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.283 7.661 6.172 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.740 9.914 6.938 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.716 7.702 6.034 1.00 0.00 C ATOM 972 CZ TYR A 63 4.374 8.826 6.424 1.00 0.00 C ATOM 973 OH TYR A 63 5.727 8.865 6.293 1.00 0.00 O ATOM 0 H TYR A 63 0.676 7.167 9.140 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.634 9.762 8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.289 7.794 6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.345 9.544 6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.780 10.723 7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.736 6.780 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.299 10.789 7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.256 6.859 5.630 1.00 0.00 H new ATOM 0 HH TYR A 63 5.973 9.558 5.645 1.00 0.00 H new ATOM 983 N GLN A 64 -2.713 8.369 7.727 1.00 0.00 N ATOM 984 CA GLN A 64 -3.990 7.675 7.752 1.00 0.00 C ATOM 985 C GLN A 64 -4.217 6.935 6.432 1.00 0.00 C ATOM 986 O GLN A 64 -3.903 7.455 5.363 1.00 0.00 O ATOM 987 CB GLN A 64 -5.136 8.645 8.041 1.00 0.00 C ATOM 988 CG GLN A 64 -6.026 8.122 9.170 1.00 0.00 C ATOM 989 CD GLN A 64 -6.541 9.270 10.040 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.784 10.031 10.620 1.00 0.00 O ATOM 991 NE2 GLN A 64 -7.867 9.353 10.099 1.00 0.00 N ATOM 0 H GLN A 64 -2.696 9.211 7.151 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.967 6.942 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.732 9.620 8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.732 8.788 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.869 7.574 8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.464 7.419 9.785 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.443 8.683 9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.308 10.086 10.654 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.762 5.733 6.550 1.00 0.00 N ATOM 1001 CA ALA A 65 -5.035 4.916 5.380 1.00 0.00 C ATOM 1002 C ALA A 65 -6.306 4.099 5.619 1.00 0.00 C ATOM 1003 O ALA A 65 -6.395 3.355 6.594 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.822 4.034 5.079 1.00 0.00 C ATOM 0 H ALA A 65 -5.022 5.305 7.439 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.207 5.543 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.027 3.421 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.953 4.663 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.621 3.388 5.934 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.257 4.265 4.712 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.519 3.552 4.813 1.00 0.00 C ATOM 1012 C GLU A 66 -8.684 2.596 3.630 1.00 0.00 C ATOM 1013 O GLU A 66 -8.710 3.026 2.478 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.695 4.528 4.896 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.080 4.799 6.352 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.600 4.859 6.515 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.188 3.782 6.756 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -12.140 5.980 6.395 1.00 0.00 O ATOM 0 H GLU A 66 -7.179 4.883 3.904 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.510 2.965 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.430 5.465 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.551 4.118 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.673 4.016 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.638 5.740 6.680 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.791 1.316 3.956 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.952 0.295 2.934 1.00 0.00 C ATOM 1027 C VAL A 67 -10.303 0.481 2.242 1.00 0.00 C ATOM 1028 O VAL A 67 -11.316 0.711 2.901 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.783 -1.095 3.553 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.627 -2.132 2.809 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.310 -1.506 3.583 1.00 0.00 C ATOM 0 H VAL A 67 -8.769 0.963 4.913 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.180 0.393 2.171 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.139 -1.049 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.489 -3.111 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.679 -1.851 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.315 -2.174 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.218 -2.497 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.917 -1.526 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.744 -0.788 4.177 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.275 0.375 0.921 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.485 0.529 0.132 1.00 0.00 C ATOM 1043 C ILE A 68 -11.701 -0.728 -0.714 1.00 0.00 C ATOM 1044 O ILE A 68 -12.375 -0.681 -1.741 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.430 1.820 -0.687 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -10.212 2.661 -0.303 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.735 2.608 -0.557 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.056 3.861 -1.240 1.00 0.00 C ATOM 0 H ILE A 68 -9.433 0.184 0.378 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.354 0.629 0.783 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.319 1.553 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.315 3.009 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.313 2.045 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.669 3.521 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.565 2.000 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.902 2.865 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.182 4.442 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.929 3.509 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.946 4.488 -1.180 1.00 0.00 H new TER 1060 ILE A 68