USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 72:sc= 0.762 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.36 K(o=3.1,f=-0.4) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 1 K(o=3.1,f=-5.9!) USER MOD Single : A 2 ASN : amide:sc= 0.972 K(o=0.97,f=-0.064) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 147:sc= 1.22 USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -0.741 (180deg=-2.78!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= 1.02 (180deg=-0.545!) USER MOD Single : A 22 SER OG : rot 79:sc= 0.196 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= 0.937 (180deg=0.21) USER MOD Single : A 43 MET CE :methyl 169:sc= -2.13 (180deg=-2.72) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.19) USER MOD Single : A 47 SER OG : rot 49:sc= 1.2 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -79:sc= 2.13 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.626 8.913 -6.461 1.00 0.00 N ATOM 14 CA ASN A 2 -3.292 8.357 -6.620 1.00 0.00 C ATOM 15 C ASN A 2 -3.074 7.412 -5.447 1.00 0.00 C ATOM 16 O ASN A 2 -2.723 7.845 -4.348 1.00 0.00 O ATOM 17 CB ASN A 2 -2.168 9.410 -6.755 1.00 0.00 C ATOM 18 CG ASN A 2 -2.552 10.766 -7.326 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.265 11.050 -8.483 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.184 11.653 -6.584 1.00 0.00 N ATOM 0 HA ASN A 2 -3.235 7.826 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.734 9.570 -5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.384 8.988 -7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.428 12.563 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.429 11.429 -5.619 1.00 0.00 H new ATOM 27 N VAL A 3 -3.360 6.132 -5.652 1.00 0.00 N ATOM 28 CA VAL A 3 -3.267 5.099 -4.635 1.00 0.00 C ATOM 29 C VAL A 3 -2.043 4.279 -4.953 1.00 0.00 C ATOM 30 O VAL A 3 -1.817 3.934 -6.116 1.00 0.00 O ATOM 31 CB VAL A 3 -4.548 4.257 -4.606 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.472 3.126 -3.580 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.705 5.183 -4.240 1.00 0.00 C ATOM 0 H VAL A 3 -3.671 5.777 -6.556 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.169 5.526 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.688 3.800 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.402 2.557 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.639 2.467 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.321 3.546 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.633 4.612 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.521 5.626 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.788 5.973 -4.986 1.00 0.00 H new ATOM 43 N GLU A 4 -1.242 4.006 -3.933 1.00 0.00 N ATOM 44 CA GLU A 4 0.070 3.430 -4.096 1.00 0.00 C ATOM 45 C GLU A 4 0.328 2.430 -2.983 1.00 0.00 C ATOM 46 O GLU A 4 -0.093 2.648 -1.847 1.00 0.00 O ATOM 47 CB GLU A 4 1.104 4.575 -4.075 1.00 0.00 C ATOM 48 CG GLU A 4 1.212 5.371 -5.375 1.00 0.00 C ATOM 49 CD GLU A 4 1.845 6.744 -5.150 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.056 6.845 -4.845 1.00 0.00 O ATOM 51 OE2 GLU A 4 1.140 7.763 -5.345 1.00 0.00 O ATOM 0 H GLU A 4 -1.495 4.183 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 4 0.147 2.898 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.848 5.260 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.083 4.156 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.807 4.810 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.220 5.495 -5.809 1.00 0.00 H new ATOM 58 N ILE A 5 1.033 1.344 -3.298 1.00 0.00 N ATOM 59 CA ILE A 5 1.364 0.303 -2.347 1.00 0.00 C ATOM 60 C ILE A 5 2.762 -0.227 -2.617 1.00 0.00 C ATOM 61 O ILE A 5 3.034 -0.771 -3.686 1.00 0.00 O ATOM 62 CB ILE A 5 0.264 -0.772 -2.353 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.551 -1.777 -1.218 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.031 -1.498 -3.692 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.586 -2.772 -0.958 1.00 0.00 C ATOM 0 H ILE A 5 1.392 1.167 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 5 1.392 0.701 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.675 -0.242 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.457 -2.333 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.752 -1.224 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.766 -2.232 -3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.253 -0.773 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.947 -2.004 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.304 -3.442 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.490 -2.228 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.774 -3.354 -1.860 1.00 0.00 H new ATOM 77 N TYR A 6 3.660 -0.060 -1.651 1.00 0.00 N ATOM 78 CA TYR A 6 4.973 -0.682 -1.711 1.00 0.00 C ATOM 79 C TYR A 6 4.869 -2.157 -1.330 1.00 0.00 C ATOM 80 O TYR A 6 4.113 -2.496 -0.412 1.00 0.00 O ATOM 81 CB TYR A 6 5.951 0.081 -0.825 1.00 0.00 C ATOM 82 CG TYR A 6 6.360 1.435 -1.383 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.520 2.559 -1.247 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.608 1.572 -2.020 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.923 3.809 -1.751 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.034 2.824 -2.488 1.00 0.00 C ATOM 87 CZ TYR A 6 7.185 3.942 -2.375 1.00 0.00 C ATOM 88 OH TYR A 6 7.587 5.128 -2.896 1.00 0.00 O ATOM 0 H TYR A 6 3.499 0.503 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 6 5.358 -0.638 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.500 0.225 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.844 -0.526 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.564 2.460 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.242 0.707 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.270 4.665 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.012 2.930 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 6 8.482 5.029 -3.283 1.00 0.00 H new ATOM 98 N THR A 7 5.608 -3.029 -2.025 1.00 0.00 N ATOM 99 CA THR A 7 5.459 -4.483 -1.937 1.00 0.00 C ATOM 100 C THR A 7 6.797 -5.225 -2.123 1.00 0.00 C ATOM 101 O THR A 7 7.837 -4.601 -2.353 1.00 0.00 O ATOM 102 CB THR A 7 4.429 -4.950 -2.985 1.00 0.00 C ATOM 103 OG1 THR A 7 4.886 -4.602 -4.271 1.00 0.00 O ATOM 104 CG2 THR A 7 3.024 -4.364 -2.806 1.00 0.00 C ATOM 0 H THR A 7 6.338 -2.738 -2.675 1.00 0.00 H new ATOM 0 HA THR A 7 5.107 -4.726 -0.934 1.00 0.00 H new ATOM 0 HB THR A 7 4.341 -6.028 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.597 -5.281 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.368 -4.748 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.632 -4.650 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.072 -3.277 -2.874 1.00 0.00 H new ATOM 112 N LYS A 8 6.796 -6.563 -2.011 1.00 0.00 N ATOM 113 CA LYS A 8 7.913 -7.436 -2.377 1.00 0.00 C ATOM 114 C LYS A 8 7.423 -8.868 -2.652 1.00 0.00 C ATOM 115 O LYS A 8 6.227 -9.125 -2.535 1.00 0.00 O ATOM 116 CB LYS A 8 9.069 -7.406 -1.357 1.00 0.00 C ATOM 117 CG LYS A 8 8.912 -6.784 0.024 1.00 0.00 C ATOM 118 CD LYS A 8 10.122 -7.013 0.956 1.00 0.00 C ATOM 119 CE LYS A 8 11.511 -7.108 0.286 1.00 0.00 C ATOM 120 NZ LYS A 8 11.743 -8.406 -0.394 1.00 0.00 N ATOM 0 H LYS A 8 5.992 -7.078 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 8 8.332 -7.038 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.379 -8.440 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.901 -6.893 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.750 -5.712 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.019 -7.194 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.150 -6.200 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.951 -7.933 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.613 -6.301 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.283 -6.957 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.706 -8.740 -0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.053 -9.105 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.633 -8.284 -1.421 1.00 0.00 H new ATOM 134 N GLU A 9 8.364 -9.776 -2.938 1.00 0.00 N ATOM 135 CA GLU A 9 8.295 -11.145 -3.448 1.00 0.00 C ATOM 136 C GLU A 9 7.336 -12.052 -2.694 1.00 0.00 C ATOM 137 O GLU A 9 6.827 -13.021 -3.260 1.00 0.00 O ATOM 138 CB GLU A 9 9.705 -11.789 -3.407 1.00 0.00 C ATOM 139 CG GLU A 9 10.405 -11.726 -2.035 1.00 0.00 C ATOM 140 CD GLU A 9 11.619 -12.650 -1.928 1.00 0.00 C ATOM 141 OE1 GLU A 9 11.429 -13.877 -1.745 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.773 -12.159 -1.878 1.00 0.00 O ATOM 0 H GLU A 9 9.341 -9.522 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 9 7.915 -11.056 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.621 -12.833 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.337 -11.294 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.721 -10.700 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.688 -11.989 -1.257 1.00 0.00 H new ATOM 149 N THR A 10 7.058 -11.731 -1.440 1.00 0.00 N ATOM 150 CA THR A 10 6.351 -12.622 -0.535 1.00 0.00 C ATOM 151 C THR A 10 5.274 -11.815 0.164 1.00 0.00 C ATOM 152 O THR A 10 4.144 -11.811 -0.320 1.00 0.00 O ATOM 153 CB THR A 10 7.336 -13.328 0.420 1.00 0.00 C ATOM 154 OG1 THR A 10 8.245 -12.414 1.027 1.00 0.00 O ATOM 155 CG2 THR A 10 8.135 -14.401 -0.316 1.00 0.00 C ATOM 0 H THR A 10 7.319 -10.839 -1.019 1.00 0.00 H new ATOM 0 HA THR A 10 5.862 -13.433 -1.074 1.00 0.00 H new ATOM 0 HB THR A 10 6.731 -13.787 1.202 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.849 -12.902 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.822 -14.884 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.453 -15.145 -0.727 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.702 -13.941 -1.126 1.00 0.00 H new ATOM 163 N CYS A 11 5.629 -11.106 1.239 1.00 0.00 N ATOM 164 CA CYS A 11 4.814 -10.137 1.948 1.00 0.00 C ATOM 165 C CYS A 11 3.321 -10.522 1.949 1.00 0.00 C ATOM 166 O CYS A 11 2.532 -9.908 1.226 1.00 0.00 O ATOM 167 CB CYS A 11 5.082 -8.753 1.351 1.00 0.00 C ATOM 168 SG CYS A 11 4.275 -7.421 2.263 1.00 0.00 S ATOM 0 H CYS A 11 6.554 -11.206 1.658 1.00 0.00 H new ATOM 0 HA CYS A 11 5.092 -10.121 3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.157 -8.574 1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.739 -8.737 0.317 1.00 0.00 H new ATOM 173 N PRO A 12 2.883 -11.499 2.762 1.00 0.00 N ATOM 174 CA PRO A 12 1.492 -11.935 2.779 1.00 0.00 C ATOM 175 C PRO A 12 0.553 -10.785 3.143 1.00 0.00 C ATOM 176 O PRO A 12 -0.570 -10.766 2.659 1.00 0.00 O ATOM 177 CB PRO A 12 1.415 -13.110 3.756 1.00 0.00 C ATOM 178 CG PRO A 12 2.662 -12.954 4.622 1.00 0.00 C ATOM 179 CD PRO A 12 3.669 -12.271 3.702 1.00 0.00 C ATOM 0 HA PRO A 12 1.162 -12.258 1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.506 -13.071 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.411 -14.065 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.459 -12.353 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.030 -13.920 4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.343 -11.629 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.287 -13.005 3.185 1.00 0.00 H new ATOM 187 N TYR A 13 1.012 -9.746 3.848 1.00 0.00 N ATOM 188 CA TYR A 13 0.185 -8.576 4.117 1.00 0.00 C ATOM 189 C TYR A 13 0.029 -7.745 2.833 1.00 0.00 C ATOM 190 O TYR A 13 -1.060 -7.244 2.565 1.00 0.00 O ATOM 191 CB TYR A 13 0.848 -7.717 5.201 1.00 0.00 C ATOM 192 CG TYR A 13 0.777 -8.226 6.626 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.683 -9.200 7.090 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.130 -7.637 7.528 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.685 -9.573 8.445 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.121 -7.993 8.885 1.00 0.00 C ATOM 197 CZ TYR A 13 0.797 -8.955 9.355 1.00 0.00 C ATOM 198 OH TYR A 13 0.790 -9.328 10.662 1.00 0.00 O ATOM 0 H TYR A 13 1.952 -9.696 4.241 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.797 -8.902 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.899 -7.593 4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.393 -6.727 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.377 -9.661 6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.839 -6.904 7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.367 -10.335 8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.817 -7.531 9.569 1.00 0.00 H new ATOM 0 HH TYR A 13 0.121 -8.803 11.149 1.00 0.00 H new ATOM 208 N CYS A 14 1.070 -7.632 1.999 1.00 0.00 N ATOM 209 CA CYS A 14 0.972 -7.010 0.683 1.00 0.00 C ATOM 210 C CYS A 14 -0.026 -7.778 -0.168 1.00 0.00 C ATOM 211 O CYS A 14 -0.899 -7.164 -0.780 1.00 0.00 O ATOM 212 CB CYS A 14 2.320 -6.974 -0.046 1.00 0.00 C ATOM 213 SG CYS A 14 3.702 -6.152 0.787 1.00 0.00 S ATOM 0 H CYS A 14 2.005 -7.972 2.223 1.00 0.00 H new ATOM 0 HA CYS A 14 0.644 -5.982 0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.617 -8.002 -0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.169 -6.485 -1.008 1.00 0.00 H new ATOM 218 N HIS A 15 0.080 -9.112 -0.183 1.00 0.00 N ATOM 219 CA HIS A 15 -0.909 -9.947 -0.839 1.00 0.00 C ATOM 220 C HIS A 15 -2.305 -9.628 -0.306 1.00 0.00 C ATOM 221 O HIS A 15 -3.185 -9.402 -1.121 1.00 0.00 O ATOM 222 CB HIS A 15 -0.582 -11.440 -0.715 1.00 0.00 C ATOM 223 CG HIS A 15 -1.771 -12.267 -1.119 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.298 -12.373 -2.393 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.625 -12.875 -0.245 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.451 -13.058 -2.296 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.675 -13.363 -1.002 1.00 0.00 N ATOM 0 H HIS A 15 0.844 -9.628 0.254 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.886 -9.718 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.273 -11.686 -1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.299 -11.674 0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.505 -12.959 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.095 -13.322 -3.122 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.484 -13.869 -0.641 1.00 0.00 H new ATOM 236 N ARG A 16 -2.531 -9.601 1.014 1.00 0.00 N ATOM 237 CA ARG A 16 -3.856 -9.366 1.589 1.00 0.00 C ATOM 238 C ARG A 16 -4.460 -8.072 1.054 1.00 0.00 C ATOM 239 O ARG A 16 -5.583 -8.090 0.556 1.00 0.00 O ATOM 240 CB ARG A 16 -3.820 -9.392 3.130 1.00 0.00 C ATOM 241 CG ARG A 16 -3.646 -10.828 3.652 1.00 0.00 C ATOM 242 CD ARG A 16 -3.539 -10.911 5.177 1.00 0.00 C ATOM 243 NE ARG A 16 -4.857 -10.972 5.828 1.00 0.00 N ATOM 244 CZ ARG A 16 -5.067 -11.215 7.128 1.00 0.00 C ATOM 245 NH1 ARG A 16 -4.044 -11.354 7.962 1.00 0.00 N ATOM 246 NH2 ARG A 16 -6.298 -11.312 7.599 1.00 0.00 N ATOM 0 H ARG A 16 -1.799 -9.742 1.710 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.505 -10.184 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.001 -8.769 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.742 -8.966 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.491 -11.432 3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.750 -11.262 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.960 -11.793 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.993 -10.044 5.548 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.677 -10.817 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.088 -11.276 7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.214 -11.539 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.094 -11.202 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.452 -11.497 8.590 1.00 0.00 H new ATOM 260 N ALA A 17 -3.706 -6.971 1.092 1.00 0.00 N ATOM 261 CA ALA A 17 -4.174 -5.706 0.541 1.00 0.00 C ATOM 262 C ALA A 17 -4.488 -5.863 -0.946 1.00 0.00 C ATOM 263 O ALA A 17 -5.605 -5.563 -1.358 1.00 0.00 O ATOM 264 CB ALA A 17 -3.126 -4.609 0.775 1.00 0.00 C ATOM 0 H ALA A 17 -2.771 -6.934 1.499 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.092 -5.411 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.486 -3.668 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.955 -4.491 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.192 -4.888 0.287 1.00 0.00 H new ATOM 270 N LYS A 18 -3.536 -6.335 -1.759 1.00 0.00 N ATOM 271 CA LYS A 18 -3.762 -6.456 -3.197 1.00 0.00 C ATOM 272 C LYS A 18 -4.930 -7.388 -3.506 1.00 0.00 C ATOM 273 O LYS A 18 -5.626 -7.133 -4.478 1.00 0.00 O ATOM 274 CB LYS A 18 -2.500 -6.908 -3.944 1.00 0.00 C ATOM 275 CG LYS A 18 -1.414 -5.818 -3.977 1.00 0.00 C ATOM 276 CD LYS A 18 -0.364 -6.079 -5.066 1.00 0.00 C ATOM 277 CE LYS A 18 0.417 -7.379 -4.831 1.00 0.00 C ATOM 278 NZ LYS A 18 1.293 -7.699 -5.973 1.00 0.00 N ATOM 0 H LYS A 18 -2.613 -6.636 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.019 -5.459 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.099 -7.802 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.765 -7.184 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.880 -4.848 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.923 -5.767 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.857 -6.126 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.333 -5.242 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.017 -7.285 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.282 -8.199 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.428 -8.729 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.855 -7.359 -6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.215 -7.235 -5.844 1.00 0.00 H new ATOM 292 N ALA A 19 -5.184 -8.418 -2.701 1.00 0.00 N ATOM 293 CA ALA A 19 -6.277 -9.352 -2.913 1.00 0.00 C ATOM 294 C ALA A 19 -7.601 -8.609 -2.804 1.00 0.00 C ATOM 295 O ALA A 19 -8.421 -8.698 -3.714 1.00 0.00 O ATOM 296 CB ALA A 19 -6.194 -10.515 -1.921 1.00 0.00 C ATOM 0 H ALA A 19 -4.626 -8.626 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.204 -9.781 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.021 -11.203 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.249 -11.042 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.252 -10.130 -0.903 1.00 0.00 H new ATOM 302 N LEU A 20 -7.773 -7.817 -1.742 1.00 0.00 N ATOM 303 CA LEU A 20 -8.959 -6.985 -1.562 1.00 0.00 C ATOM 304 C LEU A 20 -9.080 -6.010 -2.728 1.00 0.00 C ATOM 305 O LEU A 20 -10.164 -5.834 -3.274 1.00 0.00 O ATOM 306 CB LEU A 20 -8.919 -6.262 -0.201 1.00 0.00 C ATOM 307 CG LEU A 20 -10.055 -5.220 -0.040 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.606 -5.210 1.382 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.573 -3.791 -0.330 1.00 0.00 C ATOM 0 H LEU A 20 -7.093 -7.737 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.848 -7.616 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.992 -6.999 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.956 -5.763 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.822 -5.516 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.401 -4.468 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.005 -6.195 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.807 -4.960 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.402 -3.095 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.772 -3.530 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.202 -3.733 -1.353 1.00 0.00 H new ATOM 321 N LEU A 21 -7.982 -5.371 -3.129 1.00 0.00 N ATOM 322 CA LEU A 21 -8.023 -4.340 -4.155 1.00 0.00 C ATOM 323 C LEU A 21 -8.336 -4.924 -5.525 1.00 0.00 C ATOM 324 O LEU A 21 -9.129 -4.332 -6.251 1.00 0.00 O ATOM 325 CB LEU A 21 -6.689 -3.581 -4.192 1.00 0.00 C ATOM 326 CG LEU A 21 -6.357 -2.763 -2.932 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.957 -2.184 -3.115 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.311 -1.612 -2.601 1.00 0.00 C ATOM 0 H LEU A 21 -7.051 -5.553 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.825 -3.647 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.887 -4.300 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.698 -2.908 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.448 -3.456 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.689 -1.596 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.241 -2.996 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.940 -1.545 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.975 -1.110 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.322 -0.900 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.316 -2.005 -2.447 1.00 0.00 H new ATOM 340 N SER A 22 -7.771 -6.075 -5.879 1.00 0.00 N ATOM 341 CA SER A 22 -8.075 -6.757 -7.130 1.00 0.00 C ATOM 342 C SER A 22 -9.480 -7.362 -7.090 1.00 0.00 C ATOM 343 O SER A 22 -10.162 -7.389 -8.113 1.00 0.00 O ATOM 344 CB SER A 22 -7.051 -7.869 -7.372 1.00 0.00 C ATOM 345 OG SER A 22 -5.733 -7.365 -7.511 1.00 0.00 O ATOM 0 H SER A 22 -7.086 -6.562 -5.302 1.00 0.00 H new ATOM 0 HA SER A 22 -8.030 -6.029 -7.940 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.082 -8.575 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.323 -8.421 -8.271 1.00 0.00 H new ATOM 0 HG SER A 22 -5.364 -7.164 -6.625 1.00 0.00 H new ATOM 351 N SER A 23 -9.947 -7.789 -5.912 1.00 0.00 N ATOM 352 CA SER A 23 -11.316 -8.224 -5.702 1.00 0.00 C ATOM 353 C SER A 23 -12.235 -7.035 -5.971 1.00 0.00 C ATOM 354 O SER A 23 -13.211 -7.176 -6.711 1.00 0.00 O ATOM 355 CB SER A 23 -11.471 -8.796 -4.286 1.00 0.00 C ATOM 356 OG SER A 23 -12.771 -9.303 -4.074 1.00 0.00 O ATOM 0 H SER A 23 -9.371 -7.840 -5.072 1.00 0.00 H new ATOM 0 HA SER A 23 -11.589 -9.027 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.740 -9.589 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.258 -8.018 -3.553 1.00 0.00 H new ATOM 0 HG SER A 23 -12.838 -9.662 -3.164 1.00 0.00 H new ATOM 362 N LYS A 24 -11.905 -5.845 -5.460 1.00 0.00 N ATOM 363 CA LYS A 24 -12.680 -4.642 -5.726 1.00 0.00 C ATOM 364 C LYS A 24 -12.437 -4.155 -7.161 1.00 0.00 C ATOM 365 O LYS A 24 -13.250 -3.392 -7.676 1.00 0.00 O ATOM 366 CB LYS A 24 -12.295 -3.583 -4.681 1.00 0.00 C ATOM 367 CG LYS A 24 -12.877 -3.759 -3.266 1.00 0.00 C ATOM 368 CD LYS A 24 -14.312 -3.227 -3.126 1.00 0.00 C ATOM 369 CE LYS A 24 -15.366 -4.288 -3.461 1.00 0.00 C ATOM 370 NZ LYS A 24 -16.588 -3.689 -4.025 1.00 0.00 N ATOM 0 H LYS A 24 -11.098 -5.695 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.748 -4.846 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.208 -3.564 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.604 -2.607 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.862 -4.817 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.235 -3.245 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.467 -2.874 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.444 -2.368 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.950 -5.001 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.618 -4.847 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.276 -4.439 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.000 -3.027 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.352 -3.177 -4.899 1.00 0.00 H new ATOM 384 N GLY A 25 -11.386 -4.638 -7.825 1.00 0.00 N ATOM 385 CA GLY A 25 -11.046 -4.344 -9.208 1.00 0.00 C ATOM 386 C GLY A 25 -10.427 -2.964 -9.376 1.00 0.00 C ATOM 387 O GLY A 25 -10.373 -2.453 -10.498 1.00 0.00 O ATOM 0 H GLY A 25 -10.720 -5.275 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.350 -5.098 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.944 -4.413 -9.822 1.00 0.00 H new ATOM 391 N VAL A 26 -9.920 -2.366 -8.302 1.00 0.00 N ATOM 392 CA VAL A 26 -9.533 -0.961 -8.298 1.00 0.00 C ATOM 393 C VAL A 26 -8.245 -0.728 -9.078 1.00 0.00 C ATOM 394 O VAL A 26 -7.443 -1.644 -9.273 1.00 0.00 O ATOM 395 CB VAL A 26 -9.402 -0.448 -6.850 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.579 -0.903 -5.986 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.096 -0.902 -6.197 1.00 0.00 C ATOM 0 H VAL A 26 -9.767 -2.841 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.318 -0.396 -8.800 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.401 0.640 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.454 -0.524 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.508 -0.518 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.615 -1.992 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.046 -0.518 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.059 -1.991 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.251 -0.521 -6.770 1.00 0.00 H new ATOM 407 N SER A 27 -8.024 0.517 -9.475 1.00 0.00 N ATOM 408 CA SER A 27 -6.774 0.964 -10.054 1.00 0.00 C ATOM 409 C SER A 27 -5.915 1.550 -8.939 1.00 0.00 C ATOM 410 O SER A 27 -6.320 2.501 -8.269 1.00 0.00 O ATOM 411 CB SER A 27 -7.087 1.983 -11.143 1.00 0.00 C ATOM 412 OG SER A 27 -7.913 1.367 -12.120 1.00 0.00 O ATOM 0 H SER A 27 -8.724 1.255 -9.401 1.00 0.00 H new ATOM 0 HA SER A 27 -6.219 0.145 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.590 2.850 -10.715 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.165 2.343 -11.600 1.00 0.00 H new ATOM 0 HG SER A 27 -8.123 2.014 -12.826 1.00 0.00 H new ATOM 418 N PHE A 28 -4.731 0.985 -8.736 1.00 0.00 N ATOM 419 CA PHE A 28 -3.724 1.404 -7.769 1.00 0.00 C ATOM 420 C PHE A 28 -2.368 1.416 -8.484 1.00 0.00 C ATOM 421 O PHE A 28 -2.314 1.322 -9.714 1.00 0.00 O ATOM 422 CB PHE A 28 -3.807 0.512 -6.518 1.00 0.00 C ATOM 423 CG PHE A 28 -3.572 -0.977 -6.723 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.635 -1.819 -7.102 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.301 -1.534 -6.497 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.441 -3.205 -7.230 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.101 -2.919 -6.631 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.171 -3.757 -6.992 1.00 0.00 C ATOM 0 H PHE A 28 -4.430 0.173 -9.275 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.888 2.415 -7.396 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.079 0.875 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.793 0.643 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.609 -1.395 -7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.475 -0.896 -6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.265 -3.844 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.122 -3.341 -6.456 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.017 -4.822 -7.086 1.00 0.00 H new ATOM 438 N GLN A 29 -1.280 1.625 -7.758 1.00 0.00 N ATOM 439 CA GLN A 29 0.087 1.572 -8.257 1.00 0.00 C ATOM 440 C GLN A 29 0.861 0.707 -7.289 1.00 0.00 C ATOM 441 O GLN A 29 0.723 0.857 -6.078 1.00 0.00 O ATOM 442 CB GLN A 29 0.655 2.993 -8.352 1.00 0.00 C ATOM 443 CG GLN A 29 2.181 3.166 -8.309 1.00 0.00 C ATOM 444 CD GLN A 29 2.850 2.792 -9.621 1.00 0.00 C ATOM 445 OE1 GLN A 29 3.227 1.655 -9.857 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.007 3.750 -10.511 1.00 0.00 N ATOM 0 H GLN A 29 -1.327 1.845 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 29 0.148 1.147 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.295 3.435 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.230 3.577 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.419 4.202 -8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.590 2.550 -7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.688 4.696 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.447 3.546 -11.408 1.00 0.00 H new ATOM 455 N GLU A 30 1.693 -0.169 -7.823 1.00 0.00 N ATOM 456 CA GLU A 30 2.494 -1.095 -7.040 1.00 0.00 C ATOM 457 C GLU A 30 3.957 -0.679 -7.120 1.00 0.00 C ATOM 458 O GLU A 30 4.462 -0.353 -8.195 1.00 0.00 O ATOM 459 CB GLU A 30 2.245 -2.535 -7.505 1.00 0.00 C ATOM 460 CG GLU A 30 3.087 -3.498 -6.661 1.00 0.00 C ATOM 461 CD GLU A 30 2.715 -4.974 -6.784 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.816 -5.369 -7.563 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.280 -5.779 -6.008 1.00 0.00 O ATOM 0 H GLU A 30 1.834 -0.259 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 30 2.204 -1.061 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.187 -2.781 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.503 -2.638 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.134 -3.380 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.003 -3.206 -5.614 1.00 0.00 H new ATOM 470 N LEU A 31 4.645 -0.687 -5.980 1.00 0.00 N ATOM 471 CA LEU A 31 5.994 -0.162 -5.824 1.00 0.00 C ATOM 472 C LEU A 31 6.881 -1.245 -5.194 1.00 0.00 C ATOM 473 O LEU A 31 7.177 -1.187 -4.001 1.00 0.00 O ATOM 474 CB LEU A 31 5.921 1.136 -5.007 1.00 0.00 C ATOM 475 CG LEU A 31 5.220 2.264 -5.786 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.137 2.940 -4.955 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.235 3.295 -6.239 1.00 0.00 C ATOM 0 H LEU A 31 4.265 -1.071 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 31 6.448 0.091 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.385 0.950 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.928 1.453 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 31 4.742 1.812 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.668 3.730 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.385 2.204 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.582 3.371 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.728 4.088 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.735 3.720 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.973 2.820 -6.886 1.00 0.00 H new ATOM 489 N PRO A 32 7.320 -2.246 -5.972 1.00 0.00 N ATOM 490 CA PRO A 32 8.109 -3.361 -5.456 1.00 0.00 C ATOM 491 C PRO A 32 9.453 -2.872 -4.912 1.00 0.00 C ATOM 492 O PRO A 32 9.987 -1.880 -5.420 1.00 0.00 O ATOM 493 CB PRO A 32 8.319 -4.316 -6.638 1.00 0.00 C ATOM 494 CG PRO A 32 7.294 -3.865 -7.678 1.00 0.00 C ATOM 495 CD PRO A 32 7.136 -2.374 -7.403 1.00 0.00 C ATOM 0 HA PRO A 32 7.599 -3.856 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.335 -4.250 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.157 -5.353 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.645 -4.050 -8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.349 -4.396 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.874 -1.789 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.153 -2.016 -7.710 1.00 0.00 H new ATOM 503 N ILE A 33 10.035 -3.583 -3.942 1.00 0.00 N ATOM 504 CA ILE A 33 11.341 -3.279 -3.351 1.00 0.00 C ATOM 505 C ILE A 33 12.239 -4.526 -3.231 1.00 0.00 C ATOM 506 O ILE A 33 13.154 -4.544 -2.407 1.00 0.00 O ATOM 507 CB ILE A 33 11.186 -2.530 -2.003 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.462 -3.367 -0.922 1.00 0.00 C ATOM 509 CG2 ILE A 33 10.498 -1.166 -2.179 1.00 0.00 C ATOM 510 CD1 ILE A 33 11.185 -3.309 0.428 1.00 0.00 C ATOM 0 H ILE A 33 9.598 -4.410 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 33 11.856 -2.607 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 33 12.202 -2.359 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.442 -3.001 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.393 -4.404 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.410 -0.675 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.091 -0.543 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.505 -1.312 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.642 -3.910 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.196 -3.700 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.231 -2.276 0.772 1.00 0.00 H new ATOM 575 N LYS A 39 15.125 2.671 -3.578 1.00 0.00 N ATOM 576 CA LYS A 39 13.701 2.913 -3.338 1.00 0.00 C ATOM 577 C LYS A 39 13.234 2.365 -1.981 1.00 0.00 C ATOM 578 O LYS A 39 12.084 2.547 -1.602 1.00 0.00 O ATOM 579 CB LYS A 39 12.853 2.409 -4.520 1.00 0.00 C ATOM 580 CG LYS A 39 11.610 3.292 -4.746 1.00 0.00 C ATOM 581 CD LYS A 39 10.716 2.753 -5.871 1.00 0.00 C ATOM 582 CE LYS A 39 9.992 1.468 -5.448 1.00 0.00 C ATOM 583 NZ LYS A 39 9.541 0.681 -6.610 1.00 0.00 N ATOM 0 HA LYS A 39 13.552 3.991 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.460 2.397 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.541 1.382 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.034 3.350 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.926 4.307 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.983 3.510 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.322 2.556 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.659 0.861 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.133 1.723 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.615 -0.333 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.552 0.917 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.138 0.903 -7.432 1.00 0.00 H new ATOM 597 N ARG A 40 14.086 1.634 -1.252 1.00 0.00 N ATOM 598 CA ARG A 40 13.779 1.194 0.107 1.00 0.00 C ATOM 599 C ARG A 40 14.110 2.344 1.041 1.00 0.00 C ATOM 600 O ARG A 40 13.307 2.669 1.904 1.00 0.00 O ATOM 601 CB ARG A 40 14.552 -0.089 0.453 1.00 0.00 C ATOM 602 CG ARG A 40 14.107 -0.691 1.797 1.00 0.00 C ATOM 603 CD ARG A 40 14.530 -2.157 1.968 1.00 0.00 C ATOM 604 NE ARG A 40 15.985 -2.333 1.820 1.00 0.00 N ATOM 605 CZ ARG A 40 16.632 -3.090 0.923 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.973 -3.949 0.152 1.00 0.00 N ATOM 607 NH2 ARG A 40 17.946 -2.960 0.804 1.00 0.00 N ATOM 0 H ARG A 40 15.001 1.334 -1.588 1.00 0.00 H new ATOM 0 HA ARG A 40 12.724 0.940 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.406 -0.824 -0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.619 0.131 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.528 -0.100 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.022 -0.620 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.220 -2.511 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.014 -2.772 1.231 1.00 0.00 H new ATOM 0 HE ARG A 40 16.569 -1.818 2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.961 -4.039 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.480 -4.518 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.448 -2.292 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.455 -3.528 0.127 1.00 0.00 H new ATOM 621 N GLU A 41 15.247 3.003 0.827 1.00 0.00 N ATOM 622 CA GLU A 41 15.562 4.253 1.502 1.00 0.00 C ATOM 623 C GLU A 41 14.513 5.315 1.158 1.00 0.00 C ATOM 624 O GLU A 41 14.165 6.131 2.011 1.00 0.00 O ATOM 625 CB GLU A 41 16.964 4.742 1.124 1.00 0.00 C ATOM 626 CG GLU A 41 18.066 3.803 1.623 1.00 0.00 C ATOM 627 CD GLU A 41 19.468 4.335 1.328 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.682 5.087 0.347 1.00 0.00 O ATOM 629 OE2 GLU A 41 20.396 3.990 2.098 1.00 0.00 O ATOM 0 H GLU A 41 15.971 2.684 0.183 1.00 0.00 H new ATOM 0 HA GLU A 41 15.546 4.077 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.033 4.835 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.123 5.737 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.955 3.657 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.946 2.826 1.155 1.00 0.00 H new ATOM 636 N GLU A 42 13.959 5.297 -0.058 1.00 0.00 N ATOM 637 CA GLU A 42 12.876 6.196 -0.449 1.00 0.00 C ATOM 638 C GLU A 42 11.685 6.037 0.500 1.00 0.00 C ATOM 639 O GLU A 42 11.080 7.028 0.914 1.00 0.00 O ATOM 640 CB GLU A 42 12.474 5.938 -1.906 1.00 0.00 C ATOM 641 CG GLU A 42 11.570 7.007 -2.529 1.00 0.00 C ATOM 642 CD GLU A 42 12.353 8.219 -3.035 1.00 0.00 C ATOM 643 OE1 GLU A 42 13.396 8.583 -2.453 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.909 8.850 -4.023 1.00 0.00 O ATOM 0 H GLU A 42 14.251 4.658 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 42 13.223 7.227 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.379 5.854 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.965 4.976 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.012 6.568 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.839 7.335 -1.790 1.00 0.00 H new ATOM 651 N MET A 43 11.400 4.803 0.928 1.00 0.00 N ATOM 652 CA MET A 43 10.283 4.485 1.796 1.00 0.00 C ATOM 653 C MET A 43 10.394 5.201 3.144 1.00 0.00 C ATOM 654 O MET A 43 9.390 5.369 3.835 1.00 0.00 O ATOM 655 CB MET A 43 10.202 2.966 2.036 1.00 0.00 C ATOM 656 CG MET A 43 8.776 2.425 1.866 1.00 0.00 C ATOM 657 SD MET A 43 8.706 0.913 0.882 1.00 0.00 S ATOM 658 CE MET A 43 9.653 -0.200 1.913 1.00 0.00 C ATOM 0 H MET A 43 11.956 3.987 0.670 1.00 0.00 H new ATOM 0 HA MET A 43 9.378 4.828 1.294 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.868 2.455 1.341 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.557 2.740 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.347 2.232 2.849 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.158 3.188 1.393 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.540 -1.220 1.546 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.705 0.083 1.883 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.291 -0.142 2.940 1.00 0.00 H new ATOM 668 N ILE A 44 11.596 5.634 3.519 1.00 0.00 N ATOM 669 CA ILE A 44 11.859 6.329 4.767 1.00 0.00 C ATOM 670 C ILE A 44 11.313 7.756 4.675 1.00 0.00 C ATOM 671 O ILE A 44 10.693 8.197 5.636 1.00 0.00 O ATOM 672 CB ILE A 44 13.359 6.280 5.148 1.00 0.00 C ATOM 673 CG1 ILE A 44 13.892 4.827 5.150 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.562 6.892 6.545 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.418 4.725 5.237 1.00 0.00 C ATOM 0 H ILE A 44 12.430 5.506 2.947 1.00 0.00 H new ATOM 0 HA ILE A 44 11.339 5.820 5.579 1.00 0.00 H new ATOM 0 HB ILE A 44 13.912 6.852 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.453 4.291 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.555 4.326 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.619 6.855 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.225 7.929 6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.986 6.326 7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.713 3.676 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.866 5.231 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.762 5.195 6.158 1.00 0.00 H new ATOM 687 N LYS A 45 11.484 8.491 3.565 1.00 0.00 N ATOM 688 CA LYS A 45 10.841 9.795 3.420 1.00 0.00 C ATOM 689 C LYS A 45 9.379 9.675 2.999 1.00 0.00 C ATOM 690 O LYS A 45 8.573 10.525 3.364 1.00 0.00 O ATOM 691 CB LYS A 45 11.634 10.816 2.578 1.00 0.00 C ATOM 692 CG LYS A 45 11.619 10.629 1.058 1.00 0.00 C ATOM 693 CD LYS A 45 12.680 9.658 0.552 1.00 0.00 C ATOM 694 CE LYS A 45 14.001 10.356 0.223 1.00 0.00 C ATOM 695 NZ LYS A 45 14.970 9.407 -0.360 1.00 0.00 N ATOM 0 H LYS A 45 12.054 8.206 2.769 1.00 0.00 H new ATOM 0 HA LYS A 45 10.846 10.224 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.247 11.811 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.672 10.796 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.636 10.270 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.767 11.597 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.856 8.891 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.309 9.150 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.821 11.173 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.418 10.797 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.902 9.863 -0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.042 8.567 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.649 9.121 -1.307 1.00 0.00 H new ATOM 709 N ARG A 46 9.018 8.635 2.240 1.00 0.00 N ATOM 710 CA ARG A 46 7.637 8.436 1.805 1.00 0.00 C ATOM 711 C ARG A 46 6.758 8.032 2.990 1.00 0.00 C ATOM 712 O ARG A 46 5.666 8.575 3.129 1.00 0.00 O ATOM 713 CB ARG A 46 7.573 7.413 0.642 1.00 0.00 C ATOM 714 CG ARG A 46 7.020 7.989 -0.678 1.00 0.00 C ATOM 715 CD ARG A 46 5.493 8.147 -0.654 1.00 0.00 C ATOM 716 NE ARG A 46 4.897 8.374 -1.988 1.00 0.00 N ATOM 717 CZ ARG A 46 4.086 9.378 -2.349 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.056 10.497 -1.637 1.00 0.00 N ATOM 719 NH2 ARG A 46 3.300 9.269 -3.415 1.00 0.00 N ATOM 0 H ARG A 46 9.667 7.918 1.915 1.00 0.00 H new ATOM 0 HA ARG A 46 7.244 9.377 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.574 7.021 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.951 6.572 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.480 8.959 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.302 7.335 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.051 7.252 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.233 8.982 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 46 5.128 7.693 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.651 10.594 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.438 11.260 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.309 8.413 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.688 10.041 -3.678 1.00 0.00 H new ATOM 733 N SER A 47 7.204 7.105 3.841 1.00 0.00 N ATOM 734 CA SER A 47 6.383 6.455 4.870 1.00 0.00 C ATOM 735 C SER A 47 7.012 6.395 6.264 1.00 0.00 C ATOM 736 O SER A 47 6.330 6.004 7.213 1.00 0.00 O ATOM 737 CB SER A 47 6.044 5.016 4.436 1.00 0.00 C ATOM 738 OG SER A 47 6.805 4.547 3.335 1.00 0.00 O ATOM 0 H SER A 47 8.170 6.776 3.835 1.00 0.00 H new ATOM 0 HA SER A 47 5.496 7.082 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.200 4.347 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.986 4.965 4.180 1.00 0.00 H new ATOM 0 HG SER A 47 7.755 4.725 3.495 1.00 0.00 H new ATOM 744 N GLY A 48 8.300 6.697 6.404 1.00 0.00 N ATOM 745 CA GLY A 48 9.032 6.589 7.656 1.00 0.00 C ATOM 746 C GLY A 48 9.734 5.243 7.811 1.00 0.00 C ATOM 747 O GLY A 48 10.685 5.162 8.587 1.00 0.00 O ATOM 0 H GLY A 48 8.874 7.031 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.771 7.388 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.344 6.734 8.489 1.00 0.00 H new ATOM 751 N ARG A 49 9.318 4.197 7.079 1.00 0.00 N ATOM 752 CA ARG A 49 9.743 2.824 7.290 1.00 0.00 C ATOM 753 C ARG A 49 10.010 2.107 5.976 1.00 0.00 C ATOM 754 O ARG A 49 9.291 2.341 5.013 1.00 0.00 O ATOM 755 CB ARG A 49 8.618 2.060 7.985 1.00 0.00 C ATOM 756 CG ARG A 49 8.001 2.733 9.214 1.00 0.00 C ATOM 757 CD ARG A 49 7.346 1.677 10.107 1.00 0.00 C ATOM 758 NE ARG A 49 8.244 1.294 11.208 1.00 0.00 N ATOM 759 CZ ARG A 49 9.129 0.294 11.301 1.00 0.00 C ATOM 760 NH1 ARG A 49 9.220 -0.664 10.389 1.00 0.00 N ATOM 761 NH2 ARG A 49 9.953 0.274 12.338 1.00 0.00 N ATOM 0 H ARG A 49 8.660 4.297 6.306 1.00 0.00 H new ATOM 0 HA ARG A 49 10.657 2.853 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.825 1.882 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.001 1.085 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.770 3.268 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.261 3.470 8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.412 2.066 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.095 0.798 9.514 1.00 0.00 H new ATOM 0 HE ARG A 49 8.182 1.887 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.601 -0.657 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.909 -1.408 10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.904 1.010 13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.637 -0.477 12.432 1.00 0.00 H new ATOM 775 N THR A 50 10.960 1.180 5.986 1.00 0.00 N ATOM 776 CA THR A 50 11.434 0.278 4.948 1.00 0.00 C ATOM 777 C THR A 50 10.652 -1.050 4.894 1.00 0.00 C ATOM 778 O THR A 50 10.891 -1.862 3.997 1.00 0.00 O ATOM 779 CB THR A 50 12.921 -0.006 5.247 1.00 0.00 C ATOM 780 OG1 THR A 50 13.092 -0.441 6.583 1.00 0.00 O ATOM 781 CG2 THR A 50 13.803 1.236 5.101 1.00 0.00 C ATOM 0 H THR A 50 11.488 1.025 6.845 1.00 0.00 H new ATOM 0 HA THR A 50 11.289 0.751 3.977 1.00 0.00 H new ATOM 0 HB THR A 50 13.215 -0.766 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.041 -0.617 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.838 0.976 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.735 1.613 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.465 2.006 5.795 1.00 0.00 H new ATOM 789 N THR A 51 9.740 -1.294 5.835 1.00 0.00 N ATOM 790 CA THR A 51 8.834 -2.447 5.856 1.00 0.00 C ATOM 791 C THR A 51 7.684 -2.271 4.859 1.00 0.00 C ATOM 792 O THR A 51 7.455 -1.169 4.354 1.00 0.00 O ATOM 793 CB THR A 51 8.297 -2.607 7.294 1.00 0.00 C ATOM 794 OG1 THR A 51 8.038 -1.339 7.881 1.00 0.00 O ATOM 795 CG2 THR A 51 9.342 -3.322 8.147 1.00 0.00 C ATOM 0 H THR A 51 9.605 -0.673 6.633 1.00 0.00 H new ATOM 0 HA THR A 51 9.375 -3.344 5.556 1.00 0.00 H new ATOM 0 HB THR A 51 7.372 -3.181 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.242 -0.944 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.966 -3.436 9.163 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.547 -4.305 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.261 -2.736 8.164 1.00 0.00 H new ATOM 803 N VAL A 52 6.922 -3.341 4.606 1.00 0.00 N ATOM 804 CA VAL A 52 5.789 -3.328 3.680 1.00 0.00 C ATOM 805 C VAL A 52 4.653 -4.232 4.215 1.00 0.00 C ATOM 806 O VAL A 52 4.892 -5.019 5.138 1.00 0.00 O ATOM 807 CB VAL A 52 6.259 -3.799 2.291 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.888 -2.664 1.482 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.159 -5.028 2.320 1.00 0.00 C ATOM 0 H VAL A 52 7.078 -4.249 5.044 1.00 0.00 H new ATOM 0 HA VAL A 52 5.399 -2.314 3.593 1.00 0.00 H new ATOM 0 HB VAL A 52 5.349 -4.114 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.205 -3.042 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.156 -1.869 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.752 -2.271 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.445 -5.294 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.054 -4.810 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.623 -5.861 2.775 1.00 0.00 H new ATOM 819 N PRO A 53 3.416 -4.158 3.679 1.00 0.00 N ATOM 820 CA PRO A 53 2.954 -3.169 2.717 1.00 0.00 C ATOM 821 C PRO A 53 2.983 -1.790 3.351 1.00 0.00 C ATOM 822 O PRO A 53 2.903 -1.648 4.571 1.00 0.00 O ATOM 823 CB PRO A 53 1.526 -3.559 2.343 1.00 0.00 C ATOM 824 CG PRO A 53 1.034 -4.270 3.597 1.00 0.00 C ATOM 825 CD PRO A 53 2.293 -4.991 4.074 1.00 0.00 C ATOM 0 HA PRO A 53 3.589 -3.141 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.917 -2.687 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.500 -4.212 1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.660 -3.568 4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.224 -4.966 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.275 -5.131 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.367 -5.982 3.625 1.00 0.00 H new ATOM 833 N GLN A 54 3.087 -0.790 2.495 1.00 0.00 N ATOM 834 CA GLN A 54 3.072 0.608 2.849 1.00 0.00 C ATOM 835 C GLN A 54 2.121 1.221 1.838 1.00 0.00 C ATOM 836 O GLN A 54 2.512 1.473 0.698 1.00 0.00 O ATOM 837 CB GLN A 54 4.525 1.144 2.847 1.00 0.00 C ATOM 838 CG GLN A 54 4.999 1.762 4.168 1.00 0.00 C ATOM 839 CD GLN A 54 4.675 0.988 5.448 1.00 0.00 C ATOM 840 OE1 GLN A 54 3.631 1.210 6.058 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.569 0.154 5.936 1.00 0.00 N ATOM 0 H GLN A 54 3.188 -0.942 1.492 1.00 0.00 H new ATOM 0 HA GLN A 54 2.719 0.849 3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.196 0.325 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.617 1.894 2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.080 1.891 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.563 2.757 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.433 -0.025 5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.398 -0.313 6.826 1.00 0.00 H new ATOM 850 N ILE A 55 0.843 1.291 2.218 1.00 0.00 N ATOM 851 CA ILE A 55 -0.215 1.810 1.365 1.00 0.00 C ATOM 852 C ILE A 55 -0.256 3.327 1.551 1.00 0.00 C ATOM 853 O ILE A 55 0.027 3.848 2.635 1.00 0.00 O ATOM 854 CB ILE A 55 -1.588 1.162 1.657 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.579 -0.384 1.708 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.623 1.564 0.591 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.180 -0.983 3.055 1.00 0.00 C ATOM 0 H ILE A 55 0.517 0.985 3.135 1.00 0.00 H new ATOM 0 HA ILE A 55 0.002 1.560 0.327 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.847 1.535 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.573 -0.747 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.893 -0.754 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.580 1.095 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.741 2.648 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.282 1.234 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.204 -2.071 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.173 -0.657 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.878 -0.650 3.823 1.00 0.00 H new ATOM 869 N PHE A 56 -0.670 4.017 0.500 1.00 0.00 N ATOM 870 CA PHE A 56 -0.777 5.448 0.354 1.00 0.00 C ATOM 871 C PHE A 56 -2.040 5.761 -0.445 1.00 0.00 C ATOM 872 O PHE A 56 -2.354 5.025 -1.384 1.00 0.00 O ATOM 873 CB PHE A 56 0.401 5.911 -0.488 1.00 0.00 C ATOM 874 CG PHE A 56 1.700 5.972 0.255 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.534 4.841 0.322 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.060 7.169 0.887 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.714 4.892 1.076 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.246 7.225 1.621 1.00 0.00 C ATOM 879 CZ PHE A 56 4.045 6.077 1.752 1.00 0.00 C ATOM 0 H PHE A 56 -0.966 3.537 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.799 5.931 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.513 5.238 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.179 6.899 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.266 3.937 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.426 8.040 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.361 4.030 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.549 8.150 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.923 6.106 2.380 1.00 0.00 H new ATOM 889 N ILE A 57 -2.723 6.866 -0.149 1.00 0.00 N ATOM 890 CA ILE A 57 -3.801 7.413 -0.960 1.00 0.00 C ATOM 891 C ILE A 57 -3.569 8.924 -0.951 1.00 0.00 C ATOM 892 O ILE A 57 -3.588 9.540 0.115 1.00 0.00 O ATOM 893 CB ILE A 57 -5.162 7.012 -0.357 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.368 5.478 -0.331 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.326 7.694 -1.097 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.623 5.033 0.420 1.00 0.00 C ATOM 0 H ILE A 57 -2.533 7.419 0.687 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.811 7.035 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.154 7.359 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.421 5.111 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.497 5.012 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.271 7.390 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.220 8.776 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.312 7.399 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.697 3.946 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.565 5.368 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.503 5.468 -0.053 1.00 0.00 H new ATOM 908 N ASP A 58 -3.295 9.514 -2.117 1.00 0.00 N ATOM 909 CA ASP A 58 -2.888 10.911 -2.295 1.00 0.00 C ATOM 910 C ASP A 58 -1.848 11.343 -1.264 1.00 0.00 C ATOM 911 O ASP A 58 -1.999 12.353 -0.572 1.00 0.00 O ATOM 912 CB ASP A 58 -4.076 11.881 -2.406 1.00 0.00 C ATOM 913 CG ASP A 58 -5.169 11.423 -3.356 1.00 0.00 C ATOM 914 OD1 ASP A 58 -4.854 11.073 -4.518 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.356 11.457 -2.970 1.00 0.00 O ATOM 0 H ASP A 58 -3.353 9.010 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.394 10.964 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.508 12.023 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.708 12.852 -2.736 1.00 0.00 H new ATOM 920 N ALA A 59 -0.783 10.547 -1.155 1.00 0.00 N ATOM 921 CA ALA A 59 0.400 10.745 -0.330 1.00 0.00 C ATOM 922 C ALA A 59 0.141 10.641 1.175 1.00 0.00 C ATOM 923 O ALA A 59 1.083 10.800 1.958 1.00 0.00 O ATOM 924 CB ALA A 59 1.084 12.064 -0.689 1.00 0.00 C ATOM 0 H ALA A 59 -0.725 9.678 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 59 1.071 9.917 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.967 12.198 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.381 12.046 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.392 12.890 -0.522 1.00 0.00 H new ATOM 930 N GLN A 60 -1.096 10.389 1.605 1.00 0.00 N ATOM 931 CA GLN A 60 -1.371 10.040 2.995 1.00 0.00 C ATOM 932 C GLN A 60 -0.916 8.600 3.137 1.00 0.00 C ATOM 933 O GLN A 60 -1.505 7.703 2.535 1.00 0.00 O ATOM 934 CB GLN A 60 -2.850 10.207 3.366 1.00 0.00 C ATOM 935 CG GLN A 60 -3.172 11.691 3.546 1.00 0.00 C ATOM 936 CD GLN A 60 -4.665 11.935 3.725 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.221 11.786 4.813 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.332 12.360 2.670 1.00 0.00 N ATOM 0 H GLN A 60 -1.923 10.421 1.008 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.844 10.706 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.481 9.780 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.068 9.664 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.636 12.075 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.816 12.247 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.853 12.477 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.327 12.572 2.747 1.00 0.00 H new ATOM 947 N HIS A 61 0.184 8.389 3.854 1.00 0.00 N ATOM 948 CA HIS A 61 0.668 7.069 4.213 1.00 0.00 C ATOM 949 C HIS A 61 -0.373 6.468 5.151 1.00 0.00 C ATOM 950 O HIS A 61 -0.527 6.931 6.281 1.00 0.00 O ATOM 951 CB HIS A 61 2.046 7.202 4.883 1.00 0.00 C ATOM 952 CG HIS A 61 2.541 5.946 5.550 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.245 5.904 6.739 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.333 4.666 5.117 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.457 4.610 7.040 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.890 3.844 6.084 1.00 0.00 N ATOM 0 H HIS A 61 0.770 9.146 4.205 1.00 0.00 H new ATOM 0 HA HIS A 61 0.798 6.420 3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.773 7.510 4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.999 7.998 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.837 4.359 4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.992 4.244 7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.874 2.824 6.075 1.00 0.00 H new ATOM 965 N ILE A 62 -1.094 5.459 4.682 1.00 0.00 N ATOM 966 CA ILE A 62 -2.205 4.866 5.400 1.00 0.00 C ATOM 967 C ILE A 62 -1.622 4.033 6.538 1.00 0.00 C ATOM 968 O ILE A 62 -1.897 4.316 7.705 1.00 0.00 O ATOM 969 CB ILE A 62 -3.061 4.043 4.409 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.446 4.843 3.142 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.313 3.474 5.085 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.200 6.153 3.405 1.00 0.00 C ATOM 0 H ILE A 62 -0.917 5.025 3.776 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.869 5.613 5.836 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.433 3.212 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.537 5.070 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.062 4.209 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.890 2.902 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.018 2.823 5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.922 4.292 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.425 6.640 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.130 5.938 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.582 6.813 4.014 1.00 0.00 H new ATOM 984 N GLY A 63 -0.788 3.048 6.202 1.00 0.00 N ATOM 985 CA GLY A 63 -0.251 2.080 7.138 1.00 0.00 C ATOM 986 C GLY A 63 -0.066 0.754 6.413 1.00 0.00 C ATOM 987 O GLY A 63 0.306 0.754 5.231 1.00 0.00 O ATOM 0 H GLY A 63 -0.464 2.904 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.701 2.428 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.927 1.957 7.985 1.00 0.00 H new ATOM 991 N GLY A 64 -0.315 -0.345 7.124 1.00 0.00 N ATOM 992 CA GLY A 64 -0.233 -1.719 6.655 1.00 0.00 C ATOM 993 C GLY A 64 -1.585 -2.212 6.139 1.00 0.00 C ATOM 994 O GLY A 64 -2.529 -1.431 5.997 1.00 0.00 O ATOM 0 H GLY A 64 -0.596 -0.291 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.510 -1.790 5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.106 -2.363 7.467 1.00 0.00 H new ATOM 998 N TYR A 65 -1.685 -3.510 5.821 1.00 0.00 N ATOM 999 CA TYR A 65 -2.914 -4.078 5.266 1.00 0.00 C ATOM 1000 C TYR A 65 -4.099 -3.823 6.183 1.00 0.00 C ATOM 1001 O TYR A 65 -5.147 -3.416 5.697 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.802 -5.580 4.952 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.143 -6.278 4.840 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -4.992 -5.958 3.773 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.571 -7.192 5.823 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.192 -6.655 3.581 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.810 -7.842 5.682 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.595 -7.619 4.529 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.699 -8.365 4.283 1.00 0.00 O ATOM 0 H TYR A 65 -0.928 -4.183 5.940 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.076 -3.566 4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.256 -5.708 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.214 -6.063 5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.719 -5.166 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.949 -7.393 6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.804 -6.456 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.161 -8.511 6.454 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.501 -7.837 4.478 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.943 -4.057 7.484 1.00 0.00 N ATOM 1020 CA ASP A 66 -5.049 -3.894 8.421 1.00 0.00 C ATOM 1021 C ASP A 66 -5.499 -2.433 8.467 1.00 0.00 C ATOM 1022 O ASP A 66 -6.686 -2.175 8.609 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.639 -4.394 9.808 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.606 -3.952 10.907 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.770 -4.413 10.924 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -5.169 -3.198 11.804 1.00 0.00 O ATOM 0 H ASP A 66 -3.067 -4.358 7.910 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.895 -4.491 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.584 -5.483 9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.639 -4.027 10.041 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.591 -1.475 8.275 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.917 -0.045 8.298 1.00 0.00 C ATOM 1033 C ASP A 67 -5.736 0.344 7.070 1.00 0.00 C ATOM 1034 O ASP A 67 -6.752 1.032 7.162 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.639 0.801 8.344 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.863 0.596 9.640 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.462 0.722 10.734 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.673 0.217 9.558 1.00 0.00 O ATOM 0 H ASP A 67 -3.605 -1.668 8.098 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.506 0.146 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.003 0.544 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.898 1.855 8.240 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.300 -0.118 5.902 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.022 -0.003 4.636 1.00 0.00 C ATOM 1045 C LEU A 68 -7.390 -0.657 4.728 1.00 0.00 C ATOM 1046 O LEU A 68 -8.402 -0.066 4.362 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.139 -0.647 3.546 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.707 -0.860 2.126 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.554 -2.131 1.970 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.453 0.359 1.589 1.00 0.00 C ATOM 0 H LEU A 68 -4.405 -0.599 5.806 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.209 1.042 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.243 -0.034 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.821 -1.621 3.918 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.819 -1.003 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.914 -2.205 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.946 -3.005 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.404 -2.087 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.827 0.145 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.290 0.592 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.775 1.212 1.548 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.428 -1.888 5.207 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.662 -2.644 5.281 1.00 0.00 C ATOM 1064 C TYR A 69 -9.578 -1.998 6.334 1.00 0.00 C ATOM 1065 O TYR A 69 -10.796 -2.037 6.197 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.303 -4.092 5.599 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.451 -5.077 5.558 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.448 -5.150 6.549 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.489 -5.973 4.482 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.443 -6.140 6.460 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.466 -6.968 4.394 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.457 -7.057 5.388 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.386 -8.047 5.325 1.00 0.00 O ATOM 0 H TYR A 69 -6.609 -2.388 5.553 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.211 -2.636 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.540 -4.421 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.854 -4.126 6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.449 -4.451 7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.746 -5.893 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.206 -6.199 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.460 -7.664 3.568 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.241 -8.581 4.516 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.020 -1.341 7.357 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.783 -0.561 8.315 1.00 0.00 C ATOM 1085 C ALA A 70 -10.390 0.671 7.639 1.00 0.00 C ATOM 1086 O ALA A 70 -11.549 0.978 7.915 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.916 -0.171 9.520 1.00 0.00 C ATOM 0 H ALA A 70 -8.016 -1.341 7.538 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.602 -1.177 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.511 0.413 10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.552 -1.072 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.068 0.424 9.181 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.654 1.387 6.778 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.190 2.485 5.983 1.00 0.00 C ATOM 1095 C LEU A 71 -11.368 1.994 5.145 1.00 0.00 C ATOM 1096 O LEU A 71 -12.419 2.636 5.089 1.00 0.00 O ATOM 1097 CB LEU A 71 -9.071 3.089 5.127 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.545 4.204 4.178 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.164 5.400 4.908 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.364 4.692 3.342 1.00 0.00 C ATOM 0 H LEU A 71 -8.662 1.214 6.617 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.568 3.274 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.299 3.489 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.609 2.296 4.538 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.324 3.772 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.476 6.149 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.029 5.068 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.427 5.836 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.697 5.482 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.587 5.080 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.964 3.863 2.759 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.190 0.841 4.497 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.233 0.180 3.726 1.00 0.00 C ATOM 1114 C ASP A 72 -13.446 -0.134 4.593 1.00 0.00 C ATOM 1115 O ASP A 72 -14.573 0.154 4.191 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.700 -1.077 3.029 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.837 -1.884 2.405 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.514 -1.359 1.491 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.076 -3.032 2.843 1.00 0.00 O ATOM 0 H ASP A 72 -10.303 0.337 4.496 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.557 0.871 2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.985 -0.793 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.163 -1.695 3.748 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.215 -0.631 5.806 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.265 -0.964 6.764 1.00 0.00 C ATOM 1126 C ALA A 73 -14.955 0.288 7.324 1.00 0.00 C ATOM 1127 O ALA A 73 -16.098 0.214 7.775 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.677 -1.811 7.897 1.00 0.00 C ATOM 0 H ALA A 73 -12.275 -0.817 6.156 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.029 -1.538 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.462 -2.059 8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.258 -2.729 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.892 -1.249 8.402 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.305 1.452 7.256 1.00 0.00 N ATOM 1135 CA ARG A 74 -14.888 2.761 7.542 1.00 0.00 C ATOM 1136 C ARG A 74 -15.577 3.352 6.316 1.00 0.00 C ATOM 1137 O ARG A 74 -15.958 4.523 6.342 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.807 3.711 8.098 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.295 4.537 9.300 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.131 3.835 10.654 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.034 2.687 10.836 1.00 0.00 N ATOM 1142 CZ ARG A 74 -14.907 1.727 11.758 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.954 1.807 12.682 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -15.753 0.702 11.760 1.00 0.00 N ATOM 0 H ARG A 74 -13.322 1.509 6.990 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.659 2.633 8.302 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.936 3.127 8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.483 4.387 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.749 5.480 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.347 4.781 9.155 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.100 3.495 10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.309 4.556 11.452 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.829 2.617 10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.316 2.603 12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.861 1.072 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.494 0.651 11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.661 -0.034 12.461 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.690 2.589 5.228 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.342 3.026 4.005 1.00 0.00 C ATOM 1160 C GLY A 75 -15.573 4.149 3.316 1.00 0.00 C ATOM 1161 O GLY A 75 -16.163 4.870 2.515 1.00 0.00 O ATOM 0 H GLY A 75 -15.324 1.638 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.437 2.181 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.352 3.366 4.234 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.293 4.351 3.645 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.507 5.473 3.151 1.00 0.00 C ATOM 1167 C GLY A 76 -12.543 5.081 2.043 1.00 0.00 C ATOM 1168 O GLY A 76 -11.943 5.966 1.441 1.00 0.00 O ATOM 0 H GLY A 76 -13.774 3.732 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.180 6.247 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.945 5.907 3.978 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.378 3.784 1.759 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.501 3.355 0.679 1.00 0.00 C ATOM 1174 C LEU A 77 -12.181 3.614 -0.663 1.00 0.00 C ATOM 1175 O LEU A 77 -11.612 4.289 -1.517 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.108 1.879 0.844 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.177 1.392 -0.278 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.855 2.175 -0.302 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.876 -0.099 -0.125 1.00 0.00 C ATOM 0 H LEU A 77 -12.838 3.024 2.260 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.578 3.934 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.615 1.742 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.009 1.265 0.857 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.699 1.564 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.225 1.801 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.062 3.233 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.339 2.048 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.216 -0.421 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.391 -0.276 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.807 -0.665 -0.171 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.390 3.074 -0.847 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.132 3.197 -2.105 1.00 0.00 C ATOM 1193 C ASP A 78 -14.277 4.631 -2.626 1.00 0.00 C ATOM 1194 O ASP A 78 -13.906 4.867 -3.776 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.483 2.472 -2.062 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.806 1.920 -3.443 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.357 0.799 -3.765 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.525 2.598 -4.213 1.00 0.00 O ATOM 0 H ASP A 78 -13.881 2.540 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.504 2.689 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.450 1.662 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.266 3.158 -1.741 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.736 5.614 -1.822 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.867 7.003 -2.260 1.00 0.00 C ATOM 1205 C PRO A 79 -13.568 7.644 -2.764 1.00 0.00 C ATOM 1206 O PRO A 79 -13.625 8.690 -3.421 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.381 7.776 -1.041 1.00 0.00 C ATOM 1208 CG PRO A 79 -16.067 6.718 -0.194 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.205 5.490 -0.448 1.00 0.00 C ATOM 0 HA PRO A 79 -15.539 7.034 -3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.565 8.253 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.075 8.565 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.085 6.991 0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.101 6.559 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.368 5.448 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.779 4.574 -0.312 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.404 7.071 -2.446 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.092 7.558 -2.857 1.00 0.00 C ATOM 1219 C LEU A 80 -10.508 6.692 -3.974 1.00 0.00 C ATOM 1220 O LEU A 80 -9.440 7.002 -4.487 1.00 0.00 O ATOM 1221 CB LEU A 80 -10.158 7.613 -1.633 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.524 8.724 -0.623 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.746 8.566 0.688 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.233 10.122 -1.191 1.00 0.00 C ATOM 0 H LEU A 80 -12.351 6.227 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.195 8.565 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.183 6.649 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.134 7.767 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.592 8.624 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.027 9.363 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.981 7.600 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.676 8.622 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.503 10.878 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.172 10.206 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.818 10.275 -2.098 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.183 5.633 -4.415 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.732 4.779 -5.516 1.00 0.00 C ATOM 1238 C LEU A 81 -11.704 4.799 -6.689 1.00 0.00 C ATOM 1239 O LEU A 81 -11.484 4.057 -7.647 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.454 3.357 -4.996 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.992 3.214 -4.541 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.807 1.903 -3.788 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.017 3.223 -5.728 1.00 0.00 C ATOM 0 H LEU A 81 -12.073 5.338 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.796 5.179 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.121 3.133 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.668 2.631 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.774 4.067 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.769 1.810 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.457 1.891 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.062 1.069 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.996 3.120 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.248 2.393 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.114 4.163 -6.271 1.00 0.00 H new