USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 32 ASN : amide:sc= -3.84 K(o=-5.8,f=-16!) USER MOD Set 1.2: A 69 MET CE :methyl -155:sc= -1.98 (180deg=-1.93!) USER MOD Set 2.1: A 8 SER OG : rot -166:sc= 1.27 USER MOD Set 2.2: A 16 ASN : amide:sc= -0.724 K(o=0.54,f=-3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -125:sc= -0.2 (180deg=-2.68!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -170:sc= -0.561 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -138:sc=-0.00275 (180deg=-0.0179) USER MOD Single : A 20 TYR OH : rot 26:sc= 0.0306 USER MOD Single : A 22 ASN : amide:sc= -0.665 K(o=-0.66,f=-8.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.0213 (180deg=-0.215) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 30:sc= 0.147 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 49 GLN : amide:sc= -0.0921 X(o=-0.092,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.022 USER MOD Single : A 67 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0721 X(o=-0.072,f=-0.2) USER MOD Single : A 73 SER OG : rot 12:sc= -0.416! USER MOD Single : A 77 ASN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.181 -0.430 0.544 1.00 61.43 N ATOM 2 CA MET A 1 0.987 0.245 -0.467 1.00 72.21 C ATOM 3 C MET A 1 2.058 -0.689 -1.022 1.00 34.21 C ATOM 4 O MET A 1 2.130 -0.920 -2.229 1.00 70.21 O ATOM 5 CB MET A 1 1.641 1.496 0.123 1.00 35.30 C ATOM 6 CG MET A 1 0.723 2.707 0.146 1.00 0.44 C ATOM 7 SD MET A 1 1.584 4.222 0.611 1.00 21.25 S ATOM 8 CE MET A 1 1.359 5.207 -0.867 1.00 60.03 C ATOM 0 H1 MET A 1 -0.541 0.225 0.907 1.00 61.43 H new ATOM 0 H2 MET A 1 -0.285 -1.258 0.121 1.00 61.43 H new ATOM 0 H3 MET A 1 0.793 -0.739 1.326 1.00 61.43 H new ATOM 0 HA MET A 1 0.328 0.539 -1.284 1.00 72.21 H new ATOM 0 HB2 MET A 1 1.969 1.280 1.140 1.00 35.30 H new ATOM 0 HB3 MET A 1 2.533 1.737 -0.455 1.00 35.30 H new ATOM 0 HG2 MET A 1 0.274 2.836 -0.839 1.00 0.44 H new ATOM 0 HG3 MET A 1 -0.092 2.527 0.847 1.00 0.44 H new ATOM 0 HE1 MET A 1 1.838 6.177 -0.734 1.00 60.03 H new ATOM 0 HE2 MET A 1 1.808 4.694 -1.718 1.00 60.03 H new ATOM 0 HE3 MET A 1 0.294 5.350 -1.050 1.00 60.03 H new ATOM 18 N LYS A 2 2.888 -1.224 -0.133 1.00 41.11 N ATOM 19 CA LYS A 2 3.955 -2.134 -0.533 1.00 0.31 C ATOM 20 C LYS A 2 3.763 -3.509 0.099 1.00 54.24 C ATOM 21 O LYS A 2 4.233 -3.765 1.207 1.00 21.21 O ATOM 22 CB LYS A 2 5.317 -1.563 -0.132 1.00 41.20 C ATOM 23 CG LYS A 2 5.363 -1.044 1.295 1.00 40.33 C ATOM 24 CD LYS A 2 5.066 0.445 1.356 1.00 15.12 C ATOM 25 CE LYS A 2 5.735 1.098 2.556 1.00 40.24 C ATOM 26 NZ LYS A 2 7.181 1.359 2.310 1.00 35.22 N ATOM 0 H LYS A 2 2.842 -1.043 0.870 1.00 41.11 H new ATOM 0 HA LYS A 2 3.918 -2.243 -1.617 1.00 0.31 H new ATOM 0 HB2 LYS A 2 6.076 -2.336 -0.253 1.00 41.20 H new ATOM 0 HB3 LYS A 2 5.577 -0.752 -0.813 1.00 41.20 H new ATOM 0 HG2 LYS A 2 4.639 -1.586 1.904 1.00 40.33 H new ATOM 0 HG3 LYS A 2 6.347 -1.238 1.722 1.00 40.33 H new ATOM 0 HD2 LYS A 2 5.412 0.924 0.440 1.00 15.12 H new ATOM 0 HD3 LYS A 2 3.988 0.600 1.410 1.00 15.12 H new ATOM 0 HE2 LYS A 2 5.231 2.036 2.787 1.00 40.24 H new ATOM 0 HE3 LYS A 2 5.625 0.454 3.428 1.00 40.24 H new ATOM 0 HZ1 LYS A 2 7.601 1.804 3.151 1.00 35.22 H new ATOM 0 HZ2 LYS A 2 7.667 0.461 2.114 1.00 35.22 H new ATOM 0 HZ3 LYS A 2 7.285 1.994 1.493 1.00 35.22 H new ATOM 40 N PHE A 3 3.070 -4.391 -0.614 1.00 55.52 N ATOM 41 CA PHE A 3 2.816 -5.740 -0.123 1.00 74.04 C ATOM 42 C PHE A 3 2.767 -6.738 -1.277 1.00 23.14 C ATOM 43 O PHE A 3 2.131 -6.489 -2.301 1.00 10.41 O ATOM 44 CB PHE A 3 1.501 -5.782 0.658 1.00 32.31 C ATOM 45 CG PHE A 3 0.282 -5.794 -0.220 1.00 30.15 C ATOM 46 CD1 PHE A 3 -0.234 -6.989 -0.695 1.00 13.23 C ATOM 47 CD2 PHE A 3 -0.347 -4.610 -0.570 1.00 31.32 C ATOM 48 CE1 PHE A 3 -1.356 -7.003 -1.502 1.00 70.32 C ATOM 49 CE2 PHE A 3 -1.469 -4.619 -1.377 1.00 13.44 C ATOM 50 CZ PHE A 3 -1.974 -5.816 -1.844 1.00 64.44 C ATOM 0 H PHE A 3 2.674 -4.195 -1.534 1.00 55.52 H new ATOM 0 HA PHE A 3 3.634 -6.018 0.541 1.00 74.04 H new ATOM 0 HB2 PHE A 3 1.492 -6.669 1.291 1.00 32.31 H new ATOM 0 HB3 PHE A 3 1.453 -4.918 1.320 1.00 32.31 H new ATOM 0 HD1 PHE A 3 0.246 -7.920 -0.432 1.00 13.23 H new ATOM 0 HD2 PHE A 3 0.044 -3.670 -0.208 1.00 31.32 H new ATOM 0 HE1 PHE A 3 -1.749 -7.941 -1.865 1.00 70.32 H new ATOM 0 HE2 PHE A 3 -1.951 -3.690 -1.642 1.00 13.44 H new ATOM 0 HZ PHE A 3 -2.850 -5.824 -2.475 1.00 64.44 H new ATOM 60 N ILE A 4 3.444 -7.868 -1.102 1.00 4.10 N ATOM 61 CA ILE A 4 3.479 -8.904 -2.127 1.00 15.30 C ATOM 62 C ILE A 4 3.374 -10.293 -1.508 1.00 35.31 C ATOM 63 O ILE A 4 3.704 -10.491 -0.339 1.00 22.14 O ATOM 64 CB ILE A 4 4.768 -8.824 -2.966 1.00 12.44 C ATOM 65 CG1 ILE A 4 5.005 -7.389 -3.441 1.00 12.43 C ATOM 66 CG2 ILE A 4 4.688 -9.774 -4.151 1.00 43.42 C ATOM 67 CD1 ILE A 4 3.993 -6.915 -4.461 1.00 65.22 C ATOM 0 H ILE A 4 3.976 -8.089 -0.260 1.00 4.10 H new ATOM 0 HA ILE A 4 2.621 -8.733 -2.778 1.00 15.30 H new ATOM 0 HB ILE A 4 5.610 -9.123 -2.342 1.00 12.44 H new ATOM 0 HG12 ILE A 4 4.981 -6.721 -2.580 1.00 12.43 H new ATOM 0 HG13 ILE A 4 6.004 -7.318 -3.872 1.00 12.43 H new ATOM 0 HG21 ILE A 4 5.606 -9.706 -4.734 1.00 43.42 H new ATOM 0 HG22 ILE A 4 4.562 -10.795 -3.791 1.00 43.42 H new ATOM 0 HG23 ILE A 4 3.839 -9.503 -4.778 1.00 43.42 H new ATOM 0 HD11 ILE A 4 4.223 -5.890 -4.752 1.00 65.22 H new ATOM 0 HD12 ILE A 4 4.032 -7.559 -5.339 1.00 65.22 H new ATOM 0 HD13 ILE A 4 2.994 -6.954 -4.027 1.00 65.22 H new ATOM 79 N LYS A 5 2.913 -11.255 -2.301 1.00 15.23 N ATOM 80 CA LYS A 5 2.766 -12.628 -1.833 1.00 63.23 C ATOM 81 C LYS A 5 4.127 -13.302 -1.690 1.00 43.02 C ATOM 82 O LYS A 5 5.142 -12.776 -2.148 1.00 22.30 O ATOM 83 CB LYS A 5 1.889 -13.427 -2.800 1.00 0.02 C ATOM 84 CG LYS A 5 2.653 -14.003 -3.980 1.00 35.34 C ATOM 85 CD LYS A 5 3.332 -12.913 -4.790 1.00 44.43 C ATOM 86 CE LYS A 5 3.731 -13.411 -6.171 1.00 1.11 C ATOM 87 NZ LYS A 5 5.147 -13.079 -6.493 1.00 55.31 N ATOM 0 H LYS A 5 2.635 -11.109 -3.271 1.00 15.23 H new ATOM 0 HA LYS A 5 2.287 -12.603 -0.854 1.00 63.23 H new ATOM 0 HB2 LYS A 5 1.411 -14.241 -2.255 1.00 0.02 H new ATOM 0 HB3 LYS A 5 1.093 -12.782 -3.173 1.00 0.02 H new ATOM 0 HG2 LYS A 5 3.401 -14.710 -3.620 1.00 35.34 H new ATOM 0 HG3 LYS A 5 1.969 -14.561 -4.620 1.00 35.34 H new ATOM 0 HD2 LYS A 5 2.660 -12.060 -4.890 1.00 44.43 H new ATOM 0 HD3 LYS A 5 4.217 -12.561 -4.259 1.00 44.43 H new ATOM 0 HE2 LYS A 5 3.591 -14.491 -6.222 1.00 1.11 H new ATOM 0 HE3 LYS A 5 3.075 -12.968 -6.920 1.00 1.11 H new ATOM 0 HZ1 LYS A 5 5.185 -12.553 -7.389 1.00 55.31 H new ATOM 0 HZ2 LYS A 5 5.549 -12.496 -5.731 1.00 55.31 H new ATOM 0 HZ3 LYS A 5 5.697 -13.957 -6.584 1.00 55.31 H new ATOM 101 N TYR A 6 4.141 -14.468 -1.054 1.00 11.11 N ATOM 102 CA TYR A 6 5.378 -15.213 -0.850 1.00 54.11 C ATOM 103 C TYR A 6 5.833 -15.877 -2.146 1.00 23.13 C ATOM 104 O TYR A 6 5.019 -16.201 -3.011 1.00 70.32 O ATOM 105 CB TYR A 6 5.187 -16.270 0.239 1.00 60.44 C ATOM 106 CG TYR A 6 4.901 -15.689 1.604 1.00 11.55 C ATOM 107 CD1 TYR A 6 5.897 -15.047 2.331 1.00 74.22 C ATOM 108 CD2 TYR A 6 3.634 -15.779 2.168 1.00 21.42 C ATOM 109 CE1 TYR A 6 5.640 -14.515 3.579 1.00 14.14 C ATOM 110 CE2 TYR A 6 3.368 -15.249 3.416 1.00 54.34 C ATOM 111 CZ TYR A 6 4.374 -14.618 4.117 1.00 13.04 C ATOM 112 OH TYR A 6 4.113 -14.088 5.360 1.00 4.22 O ATOM 0 H TYR A 6 3.310 -14.918 -0.671 1.00 11.11 H new ATOM 0 HA TYR A 6 6.149 -14.510 -0.533 1.00 54.11 H new ATOM 0 HB2 TYR A 6 4.366 -16.928 -0.046 1.00 60.44 H new ATOM 0 HB3 TYR A 6 6.084 -16.886 0.297 1.00 60.44 H new ATOM 0 HD1 TYR A 6 6.889 -14.963 1.912 1.00 74.22 H new ATOM 0 HD2 TYR A 6 2.844 -16.272 1.621 1.00 21.42 H new ATOM 0 HE1 TYR A 6 6.426 -14.021 4.131 1.00 14.14 H new ATOM 0 HE2 TYR A 6 2.378 -15.328 3.840 1.00 54.34 H new ATOM 0 HH TYR A 6 3.174 -14.245 5.592 1.00 4.22 H new ATOM 122 N LEU A 7 7.140 -16.077 -2.272 1.00 25.30 N ATOM 123 CA LEU A 7 7.707 -16.704 -3.461 1.00 42.23 C ATOM 124 C LEU A 7 8.133 -18.139 -3.170 1.00 60.22 C ATOM 125 O LEU A 7 9.324 -18.440 -3.089 1.00 40.34 O ATOM 126 CB LEU A 7 8.905 -15.897 -3.965 1.00 51.34 C ATOM 127 CG LEU A 7 8.779 -14.376 -3.867 1.00 10.04 C ATOM 128 CD1 LEU A 7 10.028 -13.700 -4.411 1.00 72.44 C ATOM 129 CD2 LEU A 7 7.542 -13.894 -4.610 1.00 50.23 C ATOM 0 H LEU A 7 7.827 -15.814 -1.566 1.00 25.30 H new ATOM 0 HA LEU A 7 6.938 -16.723 -4.233 1.00 42.23 H new ATOM 0 HB2 LEU A 7 9.787 -16.205 -3.404 1.00 51.34 H new ATOM 0 HB3 LEU A 7 9.082 -16.160 -5.008 1.00 51.34 H new ATOM 0 HG LEU A 7 8.674 -14.107 -2.816 1.00 10.04 H new ATOM 0 HD11 LEU A 7 9.920 -12.618 -4.333 1.00 72.44 H new ATOM 0 HD12 LEU A 7 10.896 -14.020 -3.834 1.00 72.44 H new ATOM 0 HD13 LEU A 7 10.165 -13.976 -5.456 1.00 72.44 H new ATOM 0 HD21 LEU A 7 7.469 -12.809 -4.529 1.00 50.23 H new ATOM 0 HD22 LEU A 7 7.616 -14.176 -5.660 1.00 50.23 H new ATOM 0 HD23 LEU A 7 6.654 -14.351 -4.173 1.00 50.23 H new ATOM 141 N SER A 8 7.152 -19.022 -3.016 1.00 32.43 N ATOM 142 CA SER A 8 7.425 -20.426 -2.732 1.00 73.52 C ATOM 143 C SER A 8 6.292 -21.313 -3.240 1.00 33.34 C ATOM 144 O SER A 8 5.154 -20.865 -3.387 1.00 62.14 O ATOM 145 CB SER A 8 7.618 -20.637 -1.229 1.00 43.13 C ATOM 146 OG SER A 8 6.377 -20.608 -0.546 1.00 41.12 O ATOM 0 H SER A 8 6.161 -18.790 -3.083 1.00 32.43 H new ATOM 0 HA SER A 8 8.342 -20.704 -3.251 1.00 73.52 H new ATOM 0 HB2 SER A 8 8.111 -21.593 -1.053 1.00 43.13 H new ATOM 0 HB3 SER A 8 8.274 -19.862 -0.831 1.00 43.13 H new ATOM 0 HG SER A 8 6.535 -20.514 0.416 1.00 41.12 H new ATOM 152 N THR A 9 6.611 -22.576 -3.505 1.00 72.34 N ATOM 153 CA THR A 9 5.622 -23.527 -3.997 1.00 71.24 C ATOM 154 C THR A 9 5.357 -24.625 -2.973 1.00 42.40 C ATOM 155 O THR A 9 4.320 -24.631 -2.310 1.00 64.02 O ATOM 156 CB THR A 9 6.074 -24.174 -5.320 1.00 51.34 C ATOM 157 OG1 THR A 9 7.450 -23.868 -5.570 1.00 42.32 O ATOM 158 CG2 THR A 9 5.221 -23.684 -6.481 1.00 44.31 C ATOM 0 H THR A 9 7.547 -22.964 -3.387 1.00 72.34 H new ATOM 0 HA THR A 9 4.704 -22.966 -4.170 1.00 71.24 H new ATOM 0 HB THR A 9 5.953 -25.254 -5.231 1.00 51.34 H new ATOM 0 HG1 THR A 9 7.687 -24.145 -6.480 1.00 42.32 H new ATOM 0 HG21 THR A 9 5.559 -24.154 -7.404 1.00 44.31 H new ATOM 0 HG22 THR A 9 4.178 -23.944 -6.301 1.00 44.31 H new ATOM 0 HG23 THR A 9 5.315 -22.602 -6.570 1.00 44.31 H new ATOM 166 N ALA A 10 6.302 -25.551 -2.848 1.00 73.20 N ATOM 167 CA ALA A 10 6.171 -26.652 -1.902 1.00 21.32 C ATOM 168 C ALA A 10 6.248 -26.152 -0.463 1.00 40.04 C ATOM 169 O ALA A 10 6.331 -24.948 -0.218 1.00 31.13 O ATOM 170 CB ALA A 10 7.246 -27.698 -2.157 1.00 45.12 C ATOM 0 H ALA A 10 7.166 -25.561 -3.390 1.00 73.20 H new ATOM 0 HA ALA A 10 5.192 -27.109 -2.048 1.00 21.32 H new ATOM 0 HB1 ALA A 10 7.136 -28.514 -1.443 1.00 45.12 H new ATOM 0 HB2 ALA A 10 7.143 -28.086 -3.170 1.00 45.12 H new ATOM 0 HB3 ALA A 10 8.230 -27.244 -2.040 1.00 45.12 H new ATOM 176 N HIS A 11 6.219 -27.083 0.485 1.00 63.44 N ATOM 177 CA HIS A 11 6.286 -26.736 1.900 1.00 73.23 C ATOM 178 C HIS A 11 7.416 -27.492 2.592 1.00 32.11 C ATOM 179 O HIS A 11 7.354 -28.712 2.752 1.00 43.13 O ATOM 180 CB HIS A 11 4.955 -27.045 2.585 1.00 34.44 C ATOM 181 CG HIS A 11 3.833 -26.157 2.143 1.00 35.41 C ATOM 182 ND1 HIS A 11 3.519 -24.971 2.772 1.00 31.01 N ATOM 183 CD2 HIS A 11 2.949 -26.287 1.126 1.00 33.52 C ATOM 184 CE1 HIS A 11 2.490 -24.411 2.162 1.00 14.34 C ATOM 185 NE2 HIS A 11 2.125 -25.189 1.160 1.00 72.43 N ATOM 0 H HIS A 11 6.150 -28.083 0.299 1.00 63.44 H new ATOM 0 HA HIS A 11 6.487 -25.668 1.978 1.00 73.23 H new ATOM 0 HB2 HIS A 11 4.686 -28.082 2.386 1.00 34.44 H new ATOM 0 HB3 HIS A 11 5.080 -26.949 3.664 1.00 34.44 H new ATOM 0 HD2 HIS A 11 2.901 -27.102 0.419 1.00 33.52 H new ATOM 0 HE1 HIS A 11 2.026 -23.475 2.436 1.00 14.34 H new ATOM 0 HE2 HIS A 11 1.356 -25.005 0.516 1.00 72.43 H new ATOM 193 N LEU A 12 8.447 -26.761 3.001 1.00 53.34 N ATOM 194 CA LEU A 12 9.592 -27.362 3.676 1.00 73.14 C ATOM 195 C LEU A 12 10.129 -26.438 4.764 1.00 64.14 C ATOM 196 O LEU A 12 10.725 -25.402 4.473 1.00 42.21 O ATOM 197 CB LEU A 12 10.697 -27.676 2.666 1.00 73.54 C ATOM 198 CG LEU A 12 11.947 -28.355 3.228 1.00 54.34 C ATOM 199 CD1 LEU A 12 11.755 -29.862 3.286 1.00 24.21 C ATOM 200 CD2 LEU A 12 13.167 -28.002 2.390 1.00 61.22 C ATOM 0 H LEU A 12 8.514 -25.751 2.877 1.00 53.34 H new ATOM 0 HA LEU A 12 9.261 -28.289 4.144 1.00 73.14 H new ATOM 0 HB2 LEU A 12 10.280 -28.315 1.888 1.00 73.54 H new ATOM 0 HB3 LEU A 12 10.998 -26.745 2.186 1.00 73.54 H new ATOM 0 HG LEU A 12 12.110 -27.991 4.243 1.00 54.34 H new ATOM 0 HD11 LEU A 12 12.654 -30.328 3.688 1.00 24.21 H new ATOM 0 HD12 LEU A 12 10.906 -30.096 3.929 1.00 24.21 H new ATOM 0 HD13 LEU A 12 11.566 -30.244 2.283 1.00 24.21 H new ATOM 0 HD21 LEU A 12 14.047 -28.494 2.804 1.00 61.22 H new ATOM 0 HD22 LEU A 12 13.013 -28.337 1.364 1.00 61.22 H new ATOM 0 HD23 LEU A 12 13.316 -26.922 2.401 1.00 61.22 H new ATOM 212 N ASN A 13 9.916 -26.823 6.018 1.00 43.31 N ATOM 213 CA ASN A 13 10.381 -26.029 7.150 1.00 61.50 C ATOM 214 C ASN A 13 9.856 -24.600 7.064 1.00 2.53 C ATOM 215 O ASN A 13 10.467 -23.670 7.593 1.00 34.34 O ATOM 216 CB ASN A 13 11.910 -26.021 7.200 1.00 23.20 C ATOM 217 CG ASN A 13 12.495 -27.420 7.250 1.00 52.44 C ATOM 218 OD1 ASN A 13 11.866 -28.350 7.755 1.00 40.41 O ATOM 219 ND2 ASN A 13 13.704 -27.574 6.724 1.00 64.12 N ATOM 0 H ASN A 13 9.425 -27.679 6.276 1.00 43.31 H new ATOM 0 HA ASN A 13 9.997 -26.484 8.063 1.00 61.50 H new ATOM 0 HB2 ASN A 13 12.297 -25.500 6.324 1.00 23.20 H new ATOM 0 HB3 ASN A 13 12.239 -25.461 8.075 1.00 23.20 H new ATOM 0 HD21 ASN A 13 14.149 -28.492 6.728 1.00 64.12 H new ATOM 0 HD22 ASN A 13 14.188 -26.774 6.316 1.00 64.12 H new ATOM 226 N TYR A 14 8.721 -24.431 6.395 1.00 21.14 N ATOM 227 CA TYR A 14 8.114 -23.115 6.239 1.00 44.43 C ATOM 228 C TYR A 14 9.021 -22.189 5.433 1.00 60.43 C ATOM 229 O TYR A 14 9.328 -21.077 5.860 1.00 51.34 O ATOM 230 CB TYR A 14 7.824 -22.497 7.608 1.00 65.22 C ATOM 231 CG TYR A 14 7.124 -23.439 8.561 1.00 70.23 C ATOM 232 CD1 TYR A 14 6.079 -24.246 8.129 1.00 54.23 C ATOM 233 CD2 TYR A 14 7.509 -23.523 9.893 1.00 35.24 C ATOM 234 CE1 TYR A 14 5.435 -25.107 8.996 1.00 24.22 C ATOM 235 CE2 TYR A 14 6.872 -24.383 10.768 1.00 50.23 C ATOM 236 CZ TYR A 14 5.836 -25.172 10.314 1.00 32.35 C ATOM 237 OH TYR A 14 5.199 -26.030 11.181 1.00 35.14 O ATOM 0 H TYR A 14 8.203 -25.190 5.952 1.00 21.14 H new ATOM 0 HA TYR A 14 7.176 -23.238 5.698 1.00 44.43 H new ATOM 0 HB2 TYR A 14 8.763 -22.171 8.056 1.00 65.22 H new ATOM 0 HB3 TYR A 14 7.209 -21.607 7.473 1.00 65.22 H new ATOM 0 HD1 TYR A 14 5.765 -24.199 7.097 1.00 54.23 H new ATOM 0 HD2 TYR A 14 8.320 -22.906 10.251 1.00 35.24 H new ATOM 0 HE1 TYR A 14 4.623 -25.725 8.644 1.00 24.22 H new ATOM 0 HE2 TYR A 14 7.184 -24.437 11.801 1.00 50.23 H new ATOM 0 HH TYR A 14 5.603 -25.955 12.071 1.00 35.14 H new ATOM 247 N MET A 15 9.446 -22.659 4.264 1.00 13.41 N ATOM 248 CA MET A 15 10.316 -21.873 3.396 1.00 32.43 C ATOM 249 C MET A 15 9.498 -20.955 2.494 1.00 40.21 C ATOM 250 O MET A 15 8.759 -21.419 1.627 1.00 42.13 O ATOM 251 CB MET A 15 11.191 -22.796 2.546 1.00 72.22 C ATOM 252 CG MET A 15 12.681 -22.569 2.740 1.00 63.30 C ATOM 253 SD MET A 15 13.689 -23.673 1.732 1.00 61.24 S ATOM 254 CE MET A 15 15.279 -22.853 1.817 1.00 10.12 C ATOM 0 H MET A 15 9.202 -23.579 3.897 1.00 13.41 H new ATOM 0 HA MET A 15 10.956 -21.256 4.027 1.00 32.43 H new ATOM 0 HB2 MET A 15 10.955 -23.832 2.789 1.00 72.22 H new ATOM 0 HB3 MET A 15 10.944 -22.651 1.494 1.00 72.22 H new ATOM 0 HG2 MET A 15 12.922 -21.535 2.492 1.00 63.30 H new ATOM 0 HG3 MET A 15 12.933 -22.712 3.791 1.00 63.30 H new ATOM 0 HE1 MET A 15 15.747 -22.864 0.833 1.00 10.12 H new ATOM 0 HE2 MET A 15 15.140 -21.822 2.141 1.00 10.12 H new ATOM 0 HE3 MET A 15 15.919 -23.374 2.529 1.00 10.12 H new ATOM 264 N ASN A 16 9.636 -19.650 2.705 1.00 55.21 N ATOM 265 CA ASN A 16 8.908 -18.666 1.911 1.00 63.45 C ATOM 266 C ASN A 16 9.703 -17.370 1.789 1.00 3.11 C ATOM 267 O ASN A 16 10.568 -17.080 2.617 1.00 73.32 O ATOM 268 CB ASN A 16 7.542 -18.383 2.538 1.00 71.12 C ATOM 269 CG ASN A 16 6.739 -19.648 2.771 1.00 62.40 C ATOM 270 OD1 ASN A 16 5.909 -20.031 1.946 1.00 23.21 O ATOM 271 ND2 ASN A 16 6.983 -20.304 3.900 1.00 64.35 N ATOM 0 H ASN A 16 10.245 -19.249 3.419 1.00 55.21 H new ATOM 0 HA ASN A 16 8.763 -19.078 0.912 1.00 63.45 H new ATOM 0 HB2 ASN A 16 7.681 -17.865 3.487 1.00 71.12 H new ATOM 0 HB3 ASN A 16 6.979 -17.713 1.888 1.00 71.12 H new ATOM 0 HD21 ASN A 16 6.473 -21.162 4.112 1.00 64.35 H new ATOM 0 HD22 ASN A 16 7.680 -19.950 4.555 1.00 64.35 H new ATOM 278 N ILE A 17 9.404 -16.594 0.753 1.00 41.21 N ATOM 279 CA ILE A 17 10.089 -15.328 0.524 1.00 3.35 C ATOM 280 C ILE A 17 9.094 -14.181 0.385 1.00 73.22 C ATOM 281 O ILE A 17 8.316 -14.133 -0.568 1.00 21.53 O ATOM 282 CB ILE A 17 10.970 -15.384 -0.737 1.00 64.25 C ATOM 283 CG1 ILE A 17 12.144 -16.343 -0.524 1.00 52.33 C ATOM 284 CG2 ILE A 17 11.473 -13.994 -1.095 1.00 5.41 C ATOM 285 CD1 ILE A 17 12.761 -16.839 -1.813 1.00 55.02 C ATOM 0 H ILE A 17 8.692 -16.820 0.059 1.00 41.21 H new ATOM 0 HA ILE A 17 10.723 -15.152 1.393 1.00 3.35 H new ATOM 0 HB ILE A 17 10.368 -15.755 -1.566 1.00 64.25 H new ATOM 0 HG12 ILE A 17 12.910 -15.841 0.066 1.00 52.33 H new ATOM 0 HG13 ILE A 17 11.803 -17.199 0.059 1.00 52.33 H new ATOM 0 HG21 ILE A 17 12.094 -14.051 -1.989 1.00 5.41 H new ATOM 0 HG22 ILE A 17 10.624 -13.337 -1.285 1.00 5.41 H new ATOM 0 HG23 ILE A 17 12.062 -13.596 -0.269 1.00 5.41 H new ATOM 0 HD11 ILE A 17 13.586 -17.514 -1.585 1.00 55.02 H new ATOM 0 HD12 ILE A 17 12.008 -17.370 -2.396 1.00 55.02 H new ATOM 0 HD13 ILE A 17 13.133 -15.991 -2.388 1.00 55.02 H new ATOM 297 N ALA A 18 9.125 -13.258 1.340 1.00 0.13 N ATOM 298 CA ALA A 18 8.228 -12.109 1.322 1.00 22.01 C ATOM 299 C ALA A 18 8.801 -10.979 0.474 1.00 40.15 C ATOM 300 O ALA A 18 9.947 -10.570 0.659 1.00 42.53 O ATOM 301 CB ALA A 18 7.962 -11.625 2.740 1.00 43.43 C ATOM 0 H ALA A 18 9.762 -13.283 2.136 1.00 0.13 H new ATOM 0 HA ALA A 18 7.285 -12.422 0.874 1.00 22.01 H new ATOM 0 HB1 ALA A 18 7.291 -10.767 2.712 1.00 43.43 H new ATOM 0 HB2 ALA A 18 7.502 -12.427 3.318 1.00 43.43 H new ATOM 0 HB3 ALA A 18 8.903 -11.335 3.208 1.00 43.43 H new ATOM 307 N VAL A 19 7.996 -10.478 -0.459 1.00 22.54 N ATOM 308 CA VAL A 19 8.423 -9.395 -1.336 1.00 2.02 C ATOM 309 C VAL A 19 7.586 -8.142 -1.109 1.00 15.42 C ATOM 310 O VAL A 19 6.525 -8.195 -0.485 1.00 64.30 O ATOM 311 CB VAL A 19 8.327 -9.802 -2.818 1.00 52.12 C ATOM 312 CG1 VAL A 19 9.368 -9.062 -3.644 1.00 41.10 C ATOM 313 CG2 VAL A 19 8.487 -11.307 -2.969 1.00 34.25 C ATOM 0 H VAL A 19 7.045 -10.806 -0.626 1.00 22.54 H new ATOM 0 HA VAL A 19 9.464 -9.182 -1.092 1.00 2.02 H new ATOM 0 HB VAL A 19 7.340 -9.526 -3.189 1.00 52.12 H new ATOM 0 HG11 VAL A 19 9.285 -9.363 -4.688 1.00 41.10 H new ATOM 0 HG12 VAL A 19 9.202 -7.988 -3.561 1.00 41.10 H new ATOM 0 HG13 VAL A 19 10.365 -9.304 -3.275 1.00 41.10 H new ATOM 0 HG21 VAL A 19 8.416 -11.576 -4.023 1.00 34.25 H new ATOM 0 HG22 VAL A 19 9.460 -11.610 -2.581 1.00 34.25 H new ATOM 0 HG23 VAL A 19 7.700 -11.814 -2.411 1.00 34.25 H new ATOM 323 N TYR A 20 8.068 -7.014 -1.619 1.00 72.13 N ATOM 324 CA TYR A 20 7.365 -5.746 -1.471 1.00 15.43 C ATOM 325 C TYR A 20 7.577 -4.858 -2.694 1.00 30.44 C ATOM 326 O TYR A 20 8.704 -4.677 -3.154 1.00 32.43 O ATOM 327 CB TYR A 20 7.840 -5.019 -0.211 1.00 72.32 C ATOM 328 CG TYR A 20 7.843 -5.890 1.025 1.00 14.10 C ATOM 329 CD1 TYR A 20 8.914 -6.729 1.306 1.00 51.22 C ATOM 330 CD2 TYR A 20 6.774 -5.873 1.913 1.00 52.30 C ATOM 331 CE1 TYR A 20 8.920 -7.526 2.434 1.00 61.33 C ATOM 332 CE2 TYR A 20 6.772 -6.666 3.044 1.00 1.21 C ATOM 333 CZ TYR A 20 7.847 -7.491 3.300 1.00 62.22 C ATOM 334 OH TYR A 20 7.850 -8.283 4.425 1.00 23.12 O ATOM 0 H TYR A 20 8.943 -6.952 -2.139 1.00 72.13 H new ATOM 0 HA TYR A 20 6.300 -5.960 -1.380 1.00 15.43 H new ATOM 0 HB2 TYR A 20 8.847 -4.638 -0.379 1.00 72.32 H new ATOM 0 HB3 TYR A 20 7.198 -4.156 -0.036 1.00 72.32 H new ATOM 0 HD1 TYR A 20 9.756 -6.759 0.631 1.00 51.22 H new ATOM 0 HD2 TYR A 20 5.930 -5.229 1.715 1.00 52.30 H new ATOM 0 HE1 TYR A 20 9.760 -8.173 2.637 1.00 61.33 H new ATOM 0 HE2 TYR A 20 5.933 -6.640 3.724 1.00 1.21 H new ATOM 0 HH TYR A 20 8.774 -8.473 4.689 1.00 23.12 H new ATOM 344 N GLU A 21 6.485 -4.307 -3.214 1.00 33.51 N ATOM 345 CA GLU A 21 6.551 -3.439 -4.383 1.00 71.15 C ATOM 346 C GLU A 21 6.327 -1.981 -3.992 1.00 63.31 C ATOM 347 O GLU A 21 5.651 -1.689 -3.007 1.00 10.01 O ATOM 348 CB GLU A 21 5.511 -3.865 -5.422 1.00 61.10 C ATOM 349 CG GLU A 21 5.640 -3.134 -6.748 1.00 1.12 C ATOM 350 CD GLU A 21 4.561 -2.087 -6.944 1.00 75.43 C ATOM 351 OE1 GLU A 21 3.990 -1.625 -5.934 1.00 64.31 O ATOM 352 OE2 GLU A 21 4.286 -1.730 -8.109 1.00 63.53 O ATOM 0 H GLU A 21 5.545 -4.446 -2.844 1.00 33.51 H new ATOM 0 HA GLU A 21 7.547 -3.532 -4.816 1.00 71.15 H new ATOM 0 HB2 GLU A 21 5.603 -4.937 -5.597 1.00 61.10 H new ATOM 0 HB3 GLU A 21 4.514 -3.693 -5.017 1.00 61.10 H new ATOM 0 HG2 GLU A 21 6.618 -2.657 -6.802 1.00 1.12 H new ATOM 0 HG3 GLU A 21 5.593 -3.856 -7.563 1.00 1.12 H new ATOM 359 N ASN A 22 6.902 -1.071 -4.772 1.00 15.35 N ATOM 360 CA ASN A 22 6.766 0.357 -4.506 1.00 44.14 C ATOM 361 C ASN A 22 5.708 0.980 -5.411 1.00 15.43 C ATOM 362 O ASN A 22 5.496 0.533 -6.537 1.00 22.31 O ATOM 363 CB ASN A 22 8.108 1.064 -4.711 1.00 11.15 C ATOM 364 CG ASN A 22 7.958 2.570 -4.812 1.00 63.32 C ATOM 365 OD1 ASN A 22 8.310 3.173 -5.826 1.00 72.54 O ATOM 366 ND2 ASN A 22 7.434 3.185 -3.758 1.00 64.42 N ATOM 0 H ASN A 22 7.466 -1.296 -5.592 1.00 15.35 H new ATOM 0 HA ASN A 22 6.451 0.481 -3.470 1.00 44.14 H new ATOM 0 HB2 ASN A 22 8.773 0.823 -3.882 1.00 11.15 H new ATOM 0 HB3 ASN A 22 8.580 0.687 -5.618 1.00 11.15 H new ATOM 0 HD21 ASN A 22 7.309 4.197 -3.768 1.00 64.42 H new ATOM 0 HD22 ASN A 22 7.156 2.645 -2.938 1.00 64.42 H new ATOM 373 N GLY A 23 5.045 2.018 -4.909 1.00 15.02 N ATOM 374 CA GLY A 23 4.016 2.687 -5.684 1.00 61.42 C ATOM 375 C GLY A 23 4.565 3.329 -6.943 1.00 14.02 C ATOM 376 O GLY A 23 4.057 3.094 -8.039 1.00 43.25 O ATOM 0 H GLY A 23 5.202 2.407 -3.979 1.00 15.02 H new ATOM 0 HA2 GLY A 23 3.243 1.967 -5.954 1.00 61.42 H new ATOM 0 HA3 GLY A 23 3.540 3.450 -5.068 1.00 61.42 H new ATOM 380 N SER A 24 5.603 4.144 -6.785 1.00 61.44 N ATOM 381 CA SER A 24 6.217 4.827 -7.918 1.00 24.42 C ATOM 382 C SER A 24 6.791 3.822 -8.912 1.00 62.31 C ATOM 383 O SER A 24 6.222 3.592 -9.980 1.00 3.14 O ATOM 384 CB SER A 24 7.321 5.770 -7.434 1.00 72.43 C ATOM 385 OG SER A 24 6.773 6.930 -6.834 1.00 52.51 O ATOM 0 H SER A 24 6.036 4.347 -5.884 1.00 61.44 H new ATOM 0 HA SER A 24 5.445 5.410 -8.421 1.00 24.42 H new ATOM 0 HB2 SER A 24 7.958 5.252 -6.717 1.00 72.43 H new ATOM 0 HB3 SER A 24 7.954 6.056 -8.274 1.00 72.43 H new ATOM 0 HG SER A 24 7.498 7.516 -6.532 1.00 52.51 H new ATOM 391 N LYS A 25 7.923 3.225 -8.554 1.00 32.33 N ATOM 392 CA LYS A 25 8.575 2.243 -9.412 1.00 25.13 C ATOM 393 C LYS A 25 8.451 0.840 -8.826 1.00 75.00 C ATOM 394 O LYS A 25 7.808 0.643 -7.794 1.00 4.31 O ATOM 395 CB LYS A 25 10.052 2.600 -9.598 1.00 70.52 C ATOM 396 CG LYS A 25 10.273 3.903 -10.346 1.00 61.10 C ATOM 397 CD LYS A 25 11.250 3.727 -11.497 1.00 20.25 C ATOM 398 CE LYS A 25 12.691 3.871 -11.031 1.00 51.53 C ATOM 399 NZ LYS A 25 13.021 5.280 -10.678 1.00 31.01 N ATOM 0 H LYS A 25 8.408 3.404 -7.675 1.00 32.33 H new ATOM 0 HA LYS A 25 8.078 2.258 -10.382 1.00 25.13 H new ATOM 0 HB2 LYS A 25 10.527 2.668 -8.619 1.00 70.52 H new ATOM 0 HB3 LYS A 25 10.547 1.793 -10.137 1.00 70.52 H new ATOM 0 HG2 LYS A 25 9.321 4.270 -10.729 1.00 61.10 H new ATOM 0 HG3 LYS A 25 10.652 4.659 -9.658 1.00 61.10 H new ATOM 0 HD2 LYS A 25 11.109 2.745 -11.949 1.00 20.25 H new ATOM 0 HD3 LYS A 25 11.041 4.467 -12.270 1.00 20.25 H new ATOM 0 HE2 LYS A 25 12.858 3.231 -10.165 1.00 51.53 H new ATOM 0 HE3 LYS A 25 13.363 3.526 -11.817 1.00 51.53 H new ATOM 0 HZ1 LYS A 25 14.053 5.410 -10.695 1.00 31.01 H new ATOM 0 HZ2 LYS A 25 12.580 5.923 -11.366 1.00 31.01 H new ATOM 0 HZ3 LYS A 25 12.661 5.493 -9.726 1.00 31.01 H new ATOM 413 N ILE A 26 9.069 -0.131 -9.490 1.00 52.31 N ATOM 414 CA ILE A 26 9.028 -1.514 -9.033 1.00 63.21 C ATOM 415 C ILE A 26 10.112 -1.782 -7.994 1.00 52.11 C ATOM 416 O ILE A 26 11.228 -1.273 -8.099 1.00 51.11 O ATOM 417 CB ILE A 26 9.201 -2.499 -10.204 1.00 62.23 C ATOM 418 CG1 ILE A 26 8.060 -2.335 -11.210 1.00 43.24 C ATOM 419 CG2 ILE A 26 9.258 -3.930 -9.689 1.00 45.43 C ATOM 420 CD1 ILE A 26 6.730 -2.849 -10.705 1.00 64.12 C ATOM 0 H ILE A 26 9.604 0.015 -10.346 1.00 52.31 H new ATOM 0 HA ILE A 26 8.048 -1.668 -8.581 1.00 63.21 H new ATOM 0 HB ILE A 26 10.141 -2.277 -10.709 1.00 62.23 H new ATOM 0 HG12 ILE A 26 7.960 -1.280 -11.464 1.00 43.24 H new ATOM 0 HG13 ILE A 26 8.318 -2.861 -12.129 1.00 43.24 H new ATOM 0 HG21 ILE A 26 9.380 -4.614 -10.529 1.00 45.43 H new ATOM 0 HG22 ILE A 26 10.101 -4.038 -9.007 1.00 45.43 H new ATOM 0 HG23 ILE A 26 8.333 -4.164 -9.162 1.00 45.43 H new ATOM 0 HD11 ILE A 26 5.968 -2.700 -11.470 1.00 64.12 H new ATOM 0 HD12 ILE A 26 6.813 -3.912 -10.478 1.00 64.12 H new ATOM 0 HD13 ILE A 26 6.449 -2.306 -9.803 1.00 64.12 H new ATOM 432 N LYS A 27 9.776 -2.586 -6.991 1.00 1.10 N ATOM 433 CA LYS A 27 10.720 -2.925 -5.933 1.00 63.40 C ATOM 434 C LYS A 27 10.658 -4.414 -5.605 1.00 51.21 C ATOM 435 O LYS A 27 9.579 -5.003 -5.555 1.00 33.02 O ATOM 436 CB LYS A 27 10.427 -2.103 -4.676 1.00 43.34 C ATOM 437 CG LYS A 27 11.221 -2.546 -3.460 1.00 64.40 C ATOM 438 CD LYS A 27 11.558 -1.373 -2.555 1.00 52.12 C ATOM 439 CE LYS A 27 12.738 -0.577 -3.091 1.00 11.44 C ATOM 440 NZ LYS A 27 12.703 0.841 -2.635 1.00 71.25 N ATOM 0 H LYS A 27 8.856 -3.015 -6.889 1.00 1.10 H new ATOM 0 HA LYS A 27 11.724 -2.690 -6.287 1.00 63.40 H new ATOM 0 HB2 LYS A 27 10.645 -1.054 -4.879 1.00 43.34 H new ATOM 0 HB3 LYS A 27 9.363 -2.170 -4.449 1.00 43.34 H new ATOM 0 HG2 LYS A 27 10.648 -3.285 -2.900 1.00 64.40 H new ATOM 0 HG3 LYS A 27 12.141 -3.033 -3.783 1.00 64.40 H new ATOM 0 HD2 LYS A 27 10.689 -0.721 -2.464 1.00 52.12 H new ATOM 0 HD3 LYS A 27 11.789 -1.739 -1.554 1.00 52.12 H new ATOM 0 HE2 LYS A 27 13.668 -1.041 -2.763 1.00 11.44 H new ATOM 0 HE3 LYS A 27 12.733 -0.608 -4.181 1.00 11.44 H new ATOM 0 HZ1 LYS A 27 13.523 1.350 -3.021 1.00 71.25 H new ATOM 0 HZ2 LYS A 27 11.827 1.292 -2.969 1.00 71.25 H new ATOM 0 HZ3 LYS A 27 12.734 0.872 -1.596 1.00 71.25 H new ATOM 454 N ALA A 28 11.822 -5.015 -5.381 1.00 72.14 N ATOM 455 CA ALA A 28 11.898 -6.434 -5.055 1.00 4.43 C ATOM 456 C ALA A 28 12.803 -6.671 -3.850 1.00 71.43 C ATOM 457 O ALA A 28 14.028 -6.611 -3.960 1.00 54.33 O ATOM 458 CB ALA A 28 12.395 -7.226 -6.255 1.00 44.50 C ATOM 0 H ALA A 28 12.725 -4.542 -5.419 1.00 72.14 H new ATOM 0 HA ALA A 28 10.896 -6.777 -4.798 1.00 4.43 H new ATOM 0 HB1 ALA A 28 12.447 -8.284 -5.997 1.00 44.50 H new ATOM 0 HB2 ALA A 28 11.709 -7.090 -7.091 1.00 44.50 H new ATOM 0 HB3 ALA A 28 13.386 -6.873 -6.539 1.00 44.50 H new ATOM 464 N ARG A 29 12.192 -6.941 -2.701 1.00 72.54 N ATOM 465 CA ARG A 29 12.943 -7.186 -1.476 1.00 34.41 C ATOM 466 C ARG A 29 12.696 -8.601 -0.961 1.00 33.34 C ATOM 467 O ARG A 29 11.630 -8.900 -0.420 1.00 44.44 O ATOM 468 CB ARG A 29 12.556 -6.167 -0.403 1.00 53.21 C ATOM 469 CG ARG A 29 13.315 -6.338 0.902 1.00 24.12 C ATOM 470 CD ARG A 29 12.422 -6.077 2.105 1.00 42.21 C ATOM 471 NE ARG A 29 12.924 -6.730 3.311 1.00 13.42 N ATOM 472 CZ ARG A 29 12.577 -6.367 4.541 1.00 34.42 C ATOM 473 NH1 ARG A 29 11.731 -5.363 4.726 1.00 33.44 N ATOM 474 NH2 ARG A 29 13.076 -7.010 5.589 1.00 34.52 N ATOM 0 H ARG A 29 11.179 -6.996 -2.593 1.00 72.54 H new ATOM 0 HA ARG A 29 14.004 -7.080 -1.703 1.00 34.41 H new ATOM 0 HB2 ARG A 29 12.733 -5.163 -0.787 1.00 53.21 H new ATOM 0 HB3 ARG A 29 11.487 -6.249 -0.205 1.00 53.21 H new ATOM 0 HG2 ARG A 29 13.718 -7.349 0.960 1.00 24.12 H new ATOM 0 HG3 ARG A 29 14.164 -5.654 0.923 1.00 24.12 H new ATOM 0 HD2 ARG A 29 12.351 -5.003 2.277 1.00 42.21 H new ATOM 0 HD3 ARG A 29 11.414 -6.434 1.892 1.00 42.21 H new ATOM 0 HE ARG A 29 13.576 -7.507 3.203 1.00 13.42 H new ATOM 0 HH11 ARG A 29 11.345 -4.867 3.923 1.00 33.44 H new ATOM 0 HH12 ARG A 29 11.466 -5.087 5.672 1.00 33.44 H new ATOM 0 HH21 ARG A 29 13.726 -7.783 5.451 1.00 34.52 H new ATOM 0 HH22 ARG A 29 12.809 -6.731 6.533 1.00 34.52 H new ATOM 488 N VAL A 30 13.687 -9.470 -1.132 1.00 45.41 N ATOM 489 CA VAL A 30 13.579 -10.853 -0.684 1.00 54.13 C ATOM 490 C VAL A 30 13.772 -10.959 0.824 1.00 3.02 C ATOM 491 O VAL A 30 14.755 -10.458 1.370 1.00 53.11 O ATOM 492 CB VAL A 30 14.611 -11.754 -1.388 1.00 50.40 C ATOM 493 CG1 VAL A 30 14.724 -13.093 -0.677 1.00 30.34 C ATOM 494 CG2 VAL A 30 14.240 -11.947 -2.851 1.00 14.15 C ATOM 0 H VAL A 30 14.575 -9.240 -1.578 1.00 45.41 H new ATOM 0 HA VAL A 30 12.576 -11.192 -0.943 1.00 54.13 H new ATOM 0 HB VAL A 30 15.584 -11.264 -1.345 1.00 50.40 H new ATOM 0 HG11 VAL A 30 15.458 -13.716 -1.189 1.00 30.34 H new ATOM 0 HG12 VAL A 30 15.040 -12.932 0.354 1.00 30.34 H new ATOM 0 HG13 VAL A 30 13.755 -13.592 -0.685 1.00 30.34 H new ATOM 0 HG21 VAL A 30 14.980 -12.586 -3.333 1.00 14.15 H new ATOM 0 HG22 VAL A 30 13.258 -12.415 -2.919 1.00 14.15 H new ATOM 0 HG23 VAL A 30 14.216 -10.979 -3.351 1.00 14.15 H new ATOM 504 N GLU A 31 12.829 -11.615 1.492 1.00 74.31 N ATOM 505 CA GLU A 31 12.896 -11.787 2.938 1.00 1.34 C ATOM 506 C GLU A 31 12.669 -13.245 3.325 1.00 61.54 C ATOM 507 O GLU A 31 11.623 -13.821 3.028 1.00 64.41 O ATOM 508 CB GLU A 31 11.859 -10.898 3.629 1.00 45.35 C ATOM 509 CG GLU A 31 11.665 -11.220 5.101 1.00 74.25 C ATOM 510 CD GLU A 31 11.355 -9.990 5.931 1.00 14.01 C ATOM 511 OE1 GLU A 31 10.927 -8.972 5.348 1.00 35.21 O ATOM 512 OE2 GLU A 31 11.540 -10.046 7.165 1.00 42.20 O ATOM 0 H GLU A 31 12.009 -12.036 1.055 1.00 74.31 H new ATOM 0 HA GLU A 31 13.893 -11.493 3.266 1.00 1.34 H new ATOM 0 HB2 GLU A 31 12.163 -9.856 3.531 1.00 45.35 H new ATOM 0 HB3 GLU A 31 10.904 -11.001 3.114 1.00 45.35 H new ATOM 0 HG2 GLU A 31 10.853 -11.940 5.208 1.00 74.25 H new ATOM 0 HG3 GLU A 31 12.566 -11.696 5.487 1.00 74.25 H new ATOM 519 N ASN A 32 13.658 -13.837 3.988 1.00 54.50 N ATOM 520 CA ASN A 32 13.567 -15.228 4.414 1.00 20.32 C ATOM 521 C ASN A 32 12.794 -15.347 5.724 1.00 4.24 C ATOM 522 O ASN A 32 12.492 -14.345 6.372 1.00 0.43 O ATOM 523 CB ASN A 32 14.966 -15.825 4.578 1.00 22.25 C ATOM 524 CG ASN A 32 14.961 -17.340 4.502 1.00 44.35 C ATOM 525 OD1 ASN A 32 15.502 -18.018 5.375 1.00 70.52 O ATOM 526 ND2 ASN A 32 14.349 -17.877 3.453 1.00 42.34 N ATOM 0 H ASN A 32 14.531 -13.375 4.241 1.00 54.50 H new ATOM 0 HA ASN A 32 13.030 -15.783 3.645 1.00 20.32 H new ATOM 0 HB2 ASN A 32 15.621 -15.427 3.803 1.00 22.25 H new ATOM 0 HB3 ASN A 32 15.381 -15.513 5.537 1.00 22.25 H new ATOM 0 HD21 ASN A 32 14.314 -18.891 3.347 1.00 42.34 H new ATOM 0 HD22 ASN A 32 13.914 -17.276 2.753 1.00 42.34 H new ATOM 533 N VAL A 33 12.478 -16.579 6.109 1.00 21.32 N ATOM 534 CA VAL A 33 11.742 -16.830 7.343 1.00 44.12 C ATOM 535 C VAL A 33 12.361 -17.981 8.128 1.00 62.25 C ATOM 536 O VAL A 33 12.509 -17.907 9.347 1.00 13.25 O ATOM 537 CB VAL A 33 10.264 -17.153 7.058 1.00 34.25 C ATOM 538 CG1 VAL A 33 9.516 -15.901 6.627 1.00 2.53 C ATOM 539 CG2 VAL A 33 10.150 -18.242 6.002 1.00 43.20 C ATOM 0 H VAL A 33 12.720 -17.419 5.584 1.00 21.32 H new ATOM 0 HA VAL A 33 11.799 -15.918 7.937 1.00 44.12 H new ATOM 0 HB VAL A 33 9.808 -17.521 7.977 1.00 34.25 H new ATOM 0 HG11 VAL A 33 8.473 -16.150 6.430 1.00 2.53 H new ATOM 0 HG12 VAL A 33 9.568 -15.155 7.420 1.00 2.53 H new ATOM 0 HG13 VAL A 33 9.970 -15.499 5.721 1.00 2.53 H new ATOM 0 HG21 VAL A 33 9.098 -18.457 5.813 1.00 43.20 H new ATOM 0 HG22 VAL A 33 10.623 -17.905 5.079 1.00 43.20 H new ATOM 0 HG23 VAL A 33 10.647 -19.145 6.356 1.00 43.20 H new ATOM 549 N VAL A 34 12.723 -19.046 7.419 1.00 34.30 N ATOM 550 CA VAL A 34 13.328 -20.214 8.049 1.00 55.14 C ATOM 551 C VAL A 34 14.579 -19.830 8.829 1.00 25.45 C ATOM 552 O VAL A 34 14.822 -20.341 9.922 1.00 25.00 O ATOM 553 CB VAL A 34 13.695 -21.287 7.006 1.00 15.31 C ATOM 554 CG1 VAL A 34 12.439 -21.912 6.418 1.00 13.21 C ATOM 555 CG2 VAL A 34 14.565 -20.689 5.911 1.00 25.24 C ATOM 0 H VAL A 34 12.608 -19.124 6.409 1.00 34.30 H new ATOM 0 HA VAL A 34 12.587 -20.624 8.735 1.00 55.14 H new ATOM 0 HB VAL A 34 14.264 -22.072 7.503 1.00 15.31 H new ATOM 0 HG11 VAL A 34 12.718 -22.667 5.683 1.00 13.21 H new ATOM 0 HG12 VAL A 34 11.857 -22.377 7.214 1.00 13.21 H new ATOM 0 HG13 VAL A 34 11.840 -21.140 5.935 1.00 13.21 H new ATOM 0 HG21 VAL A 34 14.815 -21.461 5.183 1.00 25.24 H new ATOM 0 HG22 VAL A 34 14.023 -19.884 5.415 1.00 25.24 H new ATOM 0 HG23 VAL A 34 15.481 -20.294 6.350 1.00 25.24 H new ATOM 565 N ASN A 35 15.371 -18.927 8.261 1.00 42.20 N ATOM 566 CA ASN A 35 16.599 -18.474 8.904 1.00 24.11 C ATOM 567 C ASN A 35 16.299 -17.437 9.982 1.00 33.42 C ATOM 568 O ASN A 35 17.074 -17.260 10.921 1.00 14.00 O ATOM 569 CB ASN A 35 17.556 -17.884 7.866 1.00 53.12 C ATOM 570 CG ASN A 35 18.526 -18.915 7.321 1.00 13.33 C ATOM 571 OD1 ASN A 35 18.527 -19.212 6.127 1.00 71.13 O ATOM 572 ND2 ASN A 35 19.357 -19.466 8.198 1.00 2.51 N ATOM 0 H ASN A 35 15.184 -18.494 7.356 1.00 42.20 H new ATOM 0 HA ASN A 35 17.071 -19.336 9.375 1.00 24.11 H new ATOM 0 HB2 ASN A 35 16.979 -17.461 7.043 1.00 53.12 H new ATOM 0 HB3 ASN A 35 18.116 -17.065 8.317 1.00 53.12 H new ATOM 0 HD21 ASN A 35 20.032 -20.166 7.891 1.00 2.51 H new ATOM 0 HD22 ASN A 35 19.320 -19.189 9.179 1.00 2.51 H new ATOM 579 N GLY A 36 15.166 -16.755 9.840 1.00 4.11 N ATOM 580 CA GLY A 36 14.783 -15.745 10.809 1.00 54.32 C ATOM 581 C GLY A 36 15.502 -14.429 10.590 1.00 50.41 C ATOM 582 O GLY A 36 15.492 -13.555 11.457 1.00 2.13 O ATOM 0 H GLY A 36 14.507 -16.884 9.072 1.00 4.11 H new ATOM 0 HA2 GLY A 36 13.707 -15.581 10.752 1.00 54.32 H new ATOM 0 HA3 GLY A 36 14.997 -16.110 11.813 1.00 54.32 H new ATOM 586 N LYS A 37 16.130 -14.286 9.428 1.00 51.43 N ATOM 587 CA LYS A 37 16.859 -13.067 9.096 1.00 33.01 C ATOM 588 C LYS A 37 16.700 -12.723 7.619 1.00 52.14 C ATOM 589 O LYS A 37 17.243 -13.406 6.751 1.00 42.14 O ATOM 590 CB LYS A 37 18.342 -13.227 9.437 1.00 41.22 C ATOM 591 CG LYS A 37 19.209 -12.089 8.926 1.00 24.21 C ATOM 592 CD LYS A 37 18.737 -10.746 9.458 1.00 63.25 C ATOM 593 CE LYS A 37 19.598 -9.606 8.935 1.00 23.33 C ATOM 594 NZ LYS A 37 19.093 -8.279 9.384 1.00 60.14 N ATOM 0 H LYS A 37 16.149 -15.000 8.700 1.00 51.43 H new ATOM 0 HA LYS A 37 16.442 -12.252 9.687 1.00 33.01 H new ATOM 0 HB2 LYS A 37 18.452 -13.299 10.519 1.00 41.22 H new ATOM 0 HB3 LYS A 37 18.704 -14.165 9.017 1.00 41.22 H new ATOM 0 HG2 LYS A 37 20.244 -12.256 9.225 1.00 24.21 H new ATOM 0 HG3 LYS A 37 19.190 -12.077 7.836 1.00 24.21 H new ATOM 0 HD2 LYS A 37 17.699 -10.583 9.167 1.00 63.25 H new ATOM 0 HD3 LYS A 37 18.765 -10.755 10.548 1.00 63.25 H new ATOM 0 HE2 LYS A 37 20.624 -9.739 9.278 1.00 23.33 H new ATOM 0 HE3 LYS A 37 19.619 -9.637 7.846 1.00 23.33 H new ATOM 0 HZ1 LYS A 37 19.706 -7.528 9.007 1.00 60.14 H new ATOM 0 HZ2 LYS A 37 18.123 -8.141 9.036 1.00 60.14 H new ATOM 0 HZ3 LYS A 37 19.097 -8.240 10.423 1.00 60.14 H new ATOM 608 N SER A 38 15.953 -11.659 7.340 1.00 30.24 N ATOM 609 CA SER A 38 15.721 -11.226 5.967 1.00 10.05 C ATOM 610 C SER A 38 17.033 -10.843 5.290 1.00 61.24 C ATOM 611 O SER A 38 17.820 -10.065 5.829 1.00 50.12 O ATOM 612 CB SER A 38 14.755 -10.040 5.941 1.00 40.12 C ATOM 613 OG SER A 38 15.241 -8.968 6.730 1.00 24.32 O ATOM 0 H SER A 38 15.498 -11.081 8.047 1.00 30.24 H new ATOM 0 HA SER A 38 15.279 -12.058 5.419 1.00 10.05 H new ATOM 0 HB2 SER A 38 14.614 -9.704 4.914 1.00 40.12 H new ATOM 0 HB3 SER A 38 13.779 -10.354 6.311 1.00 40.12 H new ATOM 0 HG SER A 38 16.221 -8.982 6.732 1.00 24.32 H new ATOM 619 N VAL A 39 17.262 -11.396 4.103 1.00 61.32 N ATOM 620 CA VAL A 39 18.478 -11.113 3.349 1.00 33.21 C ATOM 621 C VAL A 39 18.170 -10.890 1.873 1.00 55.51 C ATOM 622 O VAL A 39 18.421 -11.756 1.037 1.00 25.30 O ATOM 623 CB VAL A 39 19.499 -12.258 3.481 1.00 25.12 C ATOM 624 CG1 VAL A 39 20.904 -11.757 3.183 1.00 64.31 C ATOM 625 CG2 VAL A 39 19.429 -12.877 4.869 1.00 73.42 C ATOM 0 H VAL A 39 16.621 -12.043 3.643 1.00 61.32 H new ATOM 0 HA VAL A 39 18.907 -10.203 3.769 1.00 33.21 H new ATOM 0 HB VAL A 39 19.251 -13.029 2.751 1.00 25.12 H new ATOM 0 HG11 VAL A 39 21.612 -12.580 3.281 1.00 64.31 H new ATOM 0 HG12 VAL A 39 20.942 -11.364 2.167 1.00 64.31 H new ATOM 0 HG13 VAL A 39 21.166 -10.967 3.887 1.00 64.31 H new ATOM 0 HG21 VAL A 39 20.157 -13.684 4.944 1.00 73.42 H new ATOM 0 HG22 VAL A 39 19.651 -12.117 5.618 1.00 73.42 H new ATOM 0 HG23 VAL A 39 18.428 -13.274 5.040 1.00 73.42 H new ATOM 635 N GLY A 40 17.622 -9.719 1.559 1.00 44.02 N ATOM 636 CA GLY A 40 17.289 -9.402 0.183 1.00 51.45 C ATOM 637 C GLY A 40 16.942 -7.938 -0.007 1.00 64.23 C ATOM 638 O GLY A 40 16.096 -7.397 0.703 1.00 52.31 O ATOM 0 H GLY A 40 17.403 -8.985 2.233 1.00 44.02 H new ATOM 0 HA2 GLY A 40 18.131 -9.659 -0.460 1.00 51.45 H new ATOM 0 HA3 GLY A 40 16.446 -10.016 -0.134 1.00 51.45 H new ATOM 642 N ALA A 41 17.600 -7.296 -0.967 1.00 54.24 N ATOM 643 CA ALA A 41 17.356 -5.886 -1.249 1.00 22.55 C ATOM 644 C ALA A 41 17.667 -5.555 -2.704 1.00 63.32 C ATOM 645 O ALA A 41 18.826 -5.568 -3.119 1.00 62.35 O ATOM 646 CB ALA A 41 18.183 -5.012 -0.318 1.00 24.11 C ATOM 0 H ALA A 41 18.306 -7.729 -1.562 1.00 54.24 H new ATOM 0 HA ALA A 41 16.299 -5.684 -1.077 1.00 22.55 H new ATOM 0 HB1 ALA A 41 17.992 -3.962 -0.539 1.00 24.11 H new ATOM 0 HB2 ALA A 41 17.909 -5.221 0.716 1.00 24.11 H new ATOM 0 HB3 ALA A 41 19.242 -5.226 -0.463 1.00 24.11 H new ATOM 652 N ARG A 42 16.626 -5.260 -3.475 1.00 14.44 N ATOM 653 CA ARG A 42 16.788 -4.927 -4.885 1.00 22.12 C ATOM 654 C ARG A 42 15.648 -4.036 -5.368 1.00 52.12 C ATOM 655 O ARG A 42 14.603 -3.943 -4.724 1.00 20.34 O ATOM 656 CB ARG A 42 16.846 -6.202 -5.728 1.00 60.10 C ATOM 657 CG ARG A 42 18.258 -6.715 -5.960 1.00 73.24 C ATOM 658 CD ARG A 42 19.089 -5.719 -6.753 1.00 61.05 C ATOM 659 NE ARG A 42 18.404 -5.277 -7.965 1.00 42.22 N ATOM 660 CZ ARG A 42 18.223 -6.049 -9.031 1.00 24.23 C ATOM 661 NH1 ARG A 42 18.674 -7.296 -9.034 1.00 20.12 N ATOM 662 NH2 ARG A 42 17.590 -5.575 -10.096 1.00 2.31 N ATOM 0 H ARG A 42 15.660 -5.245 -3.147 1.00 14.44 H new ATOM 0 HA ARG A 42 17.725 -4.381 -4.999 1.00 22.12 H new ATOM 0 HB2 ARG A 42 16.262 -6.980 -5.236 1.00 60.10 H new ATOM 0 HB3 ARG A 42 16.375 -6.012 -6.692 1.00 60.10 H new ATOM 0 HG2 ARG A 42 18.738 -6.909 -5.001 1.00 73.24 H new ATOM 0 HG3 ARG A 42 18.218 -7.664 -6.494 1.00 73.24 H new ATOM 0 HD2 ARG A 42 19.313 -4.855 -6.128 1.00 61.05 H new ATOM 0 HD3 ARG A 42 20.042 -6.174 -7.021 1.00 61.05 H new ATOM 0 HE ARG A 42 18.045 -4.323 -7.995 1.00 42.22 H new ATOM 0 HH11 ARG A 42 19.161 -7.664 -8.217 1.00 20.12 H new ATOM 0 HH12 ARG A 42 18.534 -7.887 -9.853 1.00 20.12 H new ATOM 0 HH21 ARG A 42 17.241 -4.616 -10.097 1.00 2.31 H new ATOM 0 HH22 ARG A 42 17.452 -6.169 -10.914 1.00 2.31 H new ATOM 676 N ASP A 43 15.856 -3.382 -6.506 1.00 23.33 N ATOM 677 CA ASP A 43 14.846 -2.499 -7.076 1.00 50.22 C ATOM 678 C ASP A 43 14.727 -2.711 -8.582 1.00 54.31 C ATOM 679 O ASP A 43 15.668 -2.452 -9.332 1.00 71.25 O ATOM 680 CB ASP A 43 15.189 -1.038 -6.780 1.00 20.13 C ATOM 681 CG ASP A 43 14.442 -0.074 -7.680 1.00 43.22 C ATOM 682 OD1 ASP A 43 13.316 0.327 -7.317 1.00 63.31 O ATOM 683 OD2 ASP A 43 14.984 0.281 -8.748 1.00 2.14 O ATOM 0 H ASP A 43 16.715 -3.447 -7.052 1.00 23.33 H new ATOM 0 HA ASP A 43 13.887 -2.739 -6.616 1.00 50.22 H new ATOM 0 HB2 ASP A 43 14.953 -0.816 -5.739 1.00 20.13 H new ATOM 0 HB3 ASP A 43 16.262 -0.888 -6.902 1.00 20.13 H new ATOM 688 N PHE A 44 13.564 -3.184 -9.018 1.00 14.34 N ATOM 689 CA PHE A 44 13.322 -3.433 -10.434 1.00 13.40 C ATOM 690 C PHE A 44 12.644 -2.233 -11.089 1.00 13.20 C ATOM 691 O PHE A 44 12.375 -1.225 -10.435 1.00 54.12 O ATOM 692 CB PHE A 44 12.457 -4.682 -10.614 1.00 31.15 C ATOM 693 CG PHE A 44 13.254 -5.944 -10.782 1.00 2.21 C ATOM 694 CD1 PHE A 44 14.333 -6.213 -9.955 1.00 12.13 C ATOM 695 CD2 PHE A 44 12.925 -6.861 -11.767 1.00 11.11 C ATOM 696 CE1 PHE A 44 15.069 -7.373 -10.108 1.00 55.22 C ATOM 697 CE2 PHE A 44 13.657 -8.023 -11.925 1.00 12.22 C ATOM 698 CZ PHE A 44 14.729 -8.279 -11.094 1.00 24.45 C ATOM 0 H PHE A 44 12.774 -3.403 -8.411 1.00 14.34 H new ATOM 0 HA PHE A 44 14.285 -3.594 -10.918 1.00 13.40 H new ATOM 0 HB2 PHE A 44 11.802 -4.788 -9.749 1.00 31.15 H new ATOM 0 HB3 PHE A 44 11.816 -4.548 -11.485 1.00 31.15 H new ATOM 0 HD1 PHE A 44 14.602 -5.508 -9.182 1.00 12.13 H new ATOM 0 HD2 PHE A 44 12.087 -6.666 -12.419 1.00 11.11 H new ATOM 0 HE1 PHE A 44 15.908 -7.571 -9.458 1.00 55.22 H new ATOM 0 HE2 PHE A 44 13.391 -8.729 -12.697 1.00 12.22 H new ATOM 0 HZ PHE A 44 15.302 -9.187 -11.214 1.00 24.45 H new ATOM 708 N ASP A 45 12.371 -2.349 -12.384 1.00 23.11 N ATOM 709 CA ASP A 45 11.724 -1.275 -13.129 1.00 24.03 C ATOM 710 C ASP A 45 10.320 -1.683 -13.562 1.00 31.41 C ATOM 711 O ASP A 45 9.363 -0.927 -13.394 1.00 63.11 O ATOM 712 CB ASP A 45 12.560 -0.899 -14.353 1.00 63.53 C ATOM 713 CG ASP A 45 13.786 -0.084 -13.990 1.00 14.01 C ATOM 714 OD1 ASP A 45 13.935 0.265 -12.800 1.00 20.10 O ATOM 715 OD2 ASP A 45 14.596 0.205 -14.895 1.00 75.43 O ATOM 0 H ASP A 45 12.588 -3.176 -12.940 1.00 23.11 H new ATOM 0 HA ASP A 45 11.644 -0.408 -12.473 1.00 24.03 H new ATOM 0 HB2 ASP A 45 12.871 -1.807 -14.870 1.00 63.53 H new ATOM 0 HB3 ASP A 45 11.943 -0.331 -15.050 1.00 63.53 H new ATOM 720 N SER A 46 10.204 -2.884 -14.121 1.00 0.13 N ATOM 721 CA SER A 46 8.917 -3.391 -14.583 1.00 3.03 C ATOM 722 C SER A 46 8.554 -4.687 -13.864 1.00 2.21 C ATOM 723 O SER A 46 9.401 -5.558 -13.662 1.00 41.05 O ATOM 724 CB SER A 46 8.950 -3.625 -16.094 1.00 64.13 C ATOM 725 OG SER A 46 7.657 -3.497 -16.659 1.00 11.14 O ATOM 0 H SER A 46 10.985 -3.524 -14.265 1.00 0.13 H new ATOM 0 HA SER A 46 8.157 -2.644 -14.355 1.00 3.03 H new ATOM 0 HB2 SER A 46 9.627 -2.909 -16.561 1.00 64.13 H new ATOM 0 HB3 SER A 46 9.344 -4.620 -16.302 1.00 64.13 H new ATOM 0 HG SER A 46 7.706 -3.650 -17.626 1.00 11.14 H new ATOM 731 N THR A 47 7.288 -4.807 -13.478 1.00 74.42 N ATOM 732 CA THR A 47 6.811 -5.995 -12.781 1.00 12.03 C ATOM 733 C THR A 47 6.903 -7.229 -13.671 1.00 32.34 C ATOM 734 O THR A 47 7.068 -8.346 -13.182 1.00 21.32 O ATOM 735 CB THR A 47 5.354 -5.823 -12.310 1.00 24.04 C ATOM 736 OG1 THR A 47 4.937 -4.466 -12.493 1.00 41.44 O ATOM 737 CG2 THR A 47 5.210 -6.209 -10.845 1.00 61.54 C ATOM 0 H THR A 47 6.574 -4.096 -13.636 1.00 74.42 H new ATOM 0 HA THR A 47 7.453 -6.130 -11.911 1.00 12.03 H new ATOM 0 HB THR A 47 4.722 -6.481 -12.907 1.00 24.04 H new ATOM 0 HG1 THR A 47 4.010 -4.365 -12.193 1.00 41.44 H new ATOM 0 HG21 THR A 47 4.173 -6.079 -10.535 1.00 61.54 H new ATOM 0 HG22 THR A 47 5.501 -7.251 -10.713 1.00 61.54 H new ATOM 0 HG23 THR A 47 5.853 -5.573 -10.236 1.00 61.54 H new ATOM 745 N GLU A 48 6.795 -7.019 -14.979 1.00 21.41 N ATOM 746 CA GLU A 48 6.866 -8.117 -15.936 1.00 43.03 C ATOM 747 C GLU A 48 8.166 -8.900 -15.771 1.00 52.42 C ATOM 748 O GLU A 48 8.152 -10.123 -15.636 1.00 41.33 O ATOM 749 CB GLU A 48 6.757 -7.584 -17.366 1.00 45.43 C ATOM 750 CG GLU A 48 6.524 -8.668 -18.404 1.00 70.24 C ATOM 751 CD GLU A 48 5.795 -8.155 -19.631 1.00 0.31 C ATOM 752 OE1 GLU A 48 4.848 -7.358 -19.468 1.00 53.34 O ATOM 753 OE2 GLU A 48 6.173 -8.550 -20.754 1.00 32.33 O ATOM 0 H GLU A 48 6.658 -6.100 -15.400 1.00 21.41 H new ATOM 0 HA GLU A 48 6.030 -8.789 -15.741 1.00 43.03 H new ATOM 0 HB2 GLU A 48 5.940 -6.864 -17.415 1.00 45.43 H new ATOM 0 HB3 GLU A 48 7.671 -7.045 -17.615 1.00 45.43 H new ATOM 0 HG2 GLU A 48 7.483 -9.089 -18.706 1.00 70.24 H new ATOM 0 HG3 GLU A 48 5.948 -9.477 -17.956 1.00 70.24 H new ATOM 760 N GLN A 49 9.286 -8.184 -15.784 1.00 20.44 N ATOM 761 CA GLN A 49 10.594 -8.812 -15.637 1.00 0.14 C ATOM 762 C GLN A 49 10.804 -9.304 -14.209 1.00 22.25 C ATOM 763 O GLN A 49 11.580 -10.230 -13.968 1.00 5.34 O ATOM 764 CB GLN A 49 11.701 -7.827 -16.017 1.00 61.45 C ATOM 765 CG GLN A 49 11.604 -6.493 -15.295 1.00 20.51 C ATOM 766 CD GLN A 49 12.912 -5.727 -15.305 1.00 62.55 C ATOM 767 OE1 GLN A 49 12.984 -4.606 -15.809 1.00 2.03 O ATOM 768 NE2 GLN A 49 13.956 -6.330 -14.748 1.00 61.34 N ATOM 0 H GLN A 49 9.314 -7.170 -15.895 1.00 20.44 H new ATOM 0 HA GLN A 49 10.635 -9.670 -16.307 1.00 0.14 H new ATOM 0 HB2 GLN A 49 12.669 -8.279 -15.799 1.00 61.45 H new ATOM 0 HB3 GLN A 49 11.666 -7.652 -17.092 1.00 61.45 H new ATOM 0 HG2 GLN A 49 10.829 -5.886 -15.763 1.00 20.51 H new ATOM 0 HG3 GLN A 49 11.296 -6.664 -14.264 1.00 20.51 H new ATOM 0 HE21 GLN A 49 13.851 -7.260 -14.342 1.00 61.34 H new ATOM 0 HE22 GLN A 49 14.863 -5.863 -14.726 1.00 61.34 H new ATOM 777 N LEU A 50 10.109 -8.680 -13.265 1.00 13.14 N ATOM 778 CA LEU A 50 10.219 -9.054 -11.859 1.00 22.21 C ATOM 779 C LEU A 50 10.004 -10.553 -11.676 1.00 73.10 C ATOM 780 O LEU A 50 10.897 -11.267 -11.222 1.00 3.11 O ATOM 781 CB LEU A 50 9.203 -8.275 -11.022 1.00 32.50 C ATOM 782 CG LEU A 50 9.502 -8.175 -9.526 1.00 12.42 C ATOM 783 CD1 LEU A 50 10.437 -7.008 -9.246 1.00 31.42 C ATOM 784 CD2 LEU A 50 8.211 -8.028 -8.733 1.00 24.23 C ATOM 0 H LEU A 50 9.463 -7.912 -13.447 1.00 13.14 H new ATOM 0 HA LEU A 50 11.225 -8.806 -11.520 1.00 22.21 H new ATOM 0 HB2 LEU A 50 9.128 -7.265 -11.425 1.00 32.50 H new ATOM 0 HB3 LEU A 50 8.226 -8.741 -11.146 1.00 32.50 H new ATOM 0 HG LEU A 50 9.996 -9.094 -9.211 1.00 12.42 H new ATOM 0 HD11 LEU A 50 10.639 -6.952 -8.176 1.00 31.42 H new ATOM 0 HD12 LEU A 50 11.373 -7.154 -9.785 1.00 31.42 H new ATOM 0 HD13 LEU A 50 9.970 -6.080 -9.576 1.00 31.42 H new ATOM 0 HD21 LEU A 50 8.443 -7.958 -7.670 1.00 24.23 H new ATOM 0 HD22 LEU A 50 7.690 -7.125 -9.051 1.00 24.23 H new ATOM 0 HD23 LEU A 50 7.575 -8.895 -8.909 1.00 24.23 H new ATOM 796 N GLU A 51 8.813 -11.023 -12.035 1.00 0.11 N ATOM 797 CA GLU A 51 8.482 -12.438 -11.911 1.00 53.52 C ATOM 798 C GLU A 51 9.423 -13.292 -12.755 1.00 72.51 C ATOM 799 O GLU A 51 9.597 -14.483 -12.496 1.00 63.10 O ATOM 800 CB GLU A 51 7.032 -12.684 -12.336 1.00 5.21 C ATOM 801 CG GLU A 51 6.024 -11.839 -11.576 1.00 33.33 C ATOM 802 CD GLU A 51 4.687 -12.536 -11.409 1.00 62.13 C ATOM 803 OE1 GLU A 51 4.555 -13.347 -10.468 1.00 54.34 O ATOM 804 OE2 GLU A 51 3.774 -12.271 -12.219 1.00 65.42 O ATOM 0 H GLU A 51 8.062 -10.445 -12.414 1.00 0.11 H new ATOM 0 HA GLU A 51 8.600 -12.723 -10.866 1.00 53.52 H new ATOM 0 HB2 GLU A 51 6.935 -12.479 -13.402 1.00 5.21 H new ATOM 0 HB3 GLU A 51 6.793 -13.738 -12.191 1.00 5.21 H new ATOM 0 HG2 GLU A 51 6.428 -11.595 -10.593 1.00 33.33 H new ATOM 0 HG3 GLU A 51 5.875 -10.896 -12.103 1.00 33.33 H new ATOM 811 N SER A 52 10.026 -12.676 -13.766 1.00 43.13 N ATOM 812 CA SER A 52 10.946 -13.380 -14.652 1.00 22.44 C ATOM 813 C SER A 52 12.232 -13.748 -13.918 1.00 31.55 C ATOM 814 O SER A 52 12.922 -14.698 -14.289 1.00 53.25 O ATOM 815 CB SER A 52 11.272 -12.519 -15.873 1.00 52.04 C ATOM 816 OG SER A 52 11.741 -13.315 -16.948 1.00 53.21 O ATOM 0 H SER A 52 9.894 -11.690 -13.992 1.00 43.13 H new ATOM 0 HA SER A 52 10.461 -14.298 -14.983 1.00 22.44 H new ATOM 0 HB2 SER A 52 10.382 -11.971 -16.183 1.00 52.04 H new ATOM 0 HB3 SER A 52 12.027 -11.778 -15.609 1.00 52.04 H new ATOM 0 HG SER A 52 11.941 -12.741 -17.717 1.00 53.21 H new ATOM 822 N TRP A 53 12.547 -12.990 -12.874 1.00 21.33 N ATOM 823 CA TRP A 53 13.750 -13.236 -12.086 1.00 41.14 C ATOM 824 C TRP A 53 13.576 -14.460 -11.194 1.00 2.21 C ATOM 825 O TRP A 53 14.410 -15.366 -11.196 1.00 41.44 O ATOM 826 CB TRP A 53 14.085 -12.011 -11.234 1.00 24.12 C ATOM 827 CG TRP A 53 14.825 -12.348 -9.975 1.00 24.21 C ATOM 828 CD1 TRP A 53 14.465 -12.020 -8.699 1.00 52.12 C ATOM 829 CD2 TRP A 53 16.053 -13.078 -9.872 1.00 1.43 C ATOM 830 NE1 TRP A 53 15.394 -12.501 -7.809 1.00 64.22 N ATOM 831 CE2 TRP A 53 16.378 -13.155 -8.503 1.00 42.42 C ATOM 832 CE3 TRP A 53 16.908 -13.675 -10.802 1.00 3.14 C ATOM 833 CZ2 TRP A 53 17.522 -13.804 -8.045 1.00 52.54 C ATOM 834 CZ3 TRP A 53 18.043 -14.318 -10.346 1.00 20.33 C ATOM 835 CH2 TRP A 53 18.341 -14.379 -8.978 1.00 23.31 C ATOM 0 H TRP A 53 11.987 -12.200 -12.553 1.00 21.33 H new ATOM 0 HA TRP A 53 14.573 -13.427 -12.775 1.00 41.14 H new ATOM 0 HB2 TRP A 53 14.685 -11.319 -11.825 1.00 24.12 H new ATOM 0 HB3 TRP A 53 13.161 -11.493 -10.976 1.00 24.12 H new ATOM 0 HD1 TRP A 53 13.579 -11.464 -8.429 1.00 52.12 H new ATOM 0 HE1 TRP A 53 15.357 -12.389 -6.796 1.00 64.22 H new ATOM 0 HE3 TRP A 53 16.686 -13.635 -11.858 1.00 3.14 H new ATOM 0 HZ2 TRP A 53 17.754 -13.852 -6.991 1.00 52.54 H new ATOM 0 HZ3 TRP A 53 18.712 -14.781 -11.056 1.00 20.33 H new ATOM 0 HH2 TRP A 53 19.235 -14.890 -8.654 1.00 23.31 H new ATOM 846 N PHE A 54 12.488 -14.481 -10.431 1.00 40.14 N ATOM 847 CA PHE A 54 12.206 -15.594 -9.533 1.00 35.21 C ATOM 848 C PHE A 54 11.773 -16.830 -10.317 1.00 52.41 C ATOM 849 O PHE A 54 11.628 -17.916 -9.755 1.00 44.35 O ATOM 850 CB PHE A 54 11.117 -15.205 -8.531 1.00 33.01 C ATOM 851 CG PHE A 54 10.730 -16.321 -7.603 1.00 14.32 C ATOM 852 CD1 PHE A 54 11.478 -16.586 -6.467 1.00 53.11 C ATOM 853 CD2 PHE A 54 9.618 -17.105 -7.866 1.00 51.34 C ATOM 854 CE1 PHE A 54 11.124 -17.612 -5.611 1.00 2.43 C ATOM 855 CE2 PHE A 54 9.259 -18.131 -7.013 1.00 63.35 C ATOM 856 CZ PHE A 54 10.014 -18.386 -5.885 1.00 10.00 C ATOM 0 H PHE A 54 11.787 -13.740 -10.417 1.00 40.14 H new ATOM 0 HA PHE A 54 13.121 -15.831 -8.991 1.00 35.21 H new ATOM 0 HB2 PHE A 54 11.464 -14.356 -7.941 1.00 33.01 H new ATOM 0 HB3 PHE A 54 10.233 -14.874 -9.077 1.00 33.01 H new ATOM 0 HD1 PHE A 54 12.348 -15.984 -6.248 1.00 53.11 H new ATOM 0 HD2 PHE A 54 9.025 -16.912 -8.748 1.00 51.34 H new ATOM 0 HE1 PHE A 54 11.715 -17.808 -4.729 1.00 2.43 H new ATOM 0 HE2 PHE A 54 8.389 -18.733 -7.228 1.00 63.35 H new ATOM 0 HZ PHE A 54 9.737 -19.189 -5.219 1.00 10.00 H new ATOM 866 N TYR A 55 11.567 -16.655 -11.618 1.00 30.03 N ATOM 867 CA TYR A 55 11.148 -17.754 -12.479 1.00 53.15 C ATOM 868 C TYR A 55 12.290 -18.201 -13.387 1.00 12.11 C ATOM 869 O TYR A 55 12.288 -19.318 -13.902 1.00 21.23 O ATOM 870 CB TYR A 55 9.944 -17.336 -13.325 1.00 15.11 C ATOM 871 CG TYR A 55 9.651 -18.279 -14.470 1.00 33.22 C ATOM 872 CD1 TYR A 55 10.280 -18.127 -15.699 1.00 51.23 C ATOM 873 CD2 TYR A 55 8.745 -19.322 -14.323 1.00 15.15 C ATOM 874 CE1 TYR A 55 10.015 -18.986 -16.748 1.00 41.35 C ATOM 875 CE2 TYR A 55 8.475 -20.186 -15.366 1.00 32.54 C ATOM 876 CZ TYR A 55 9.112 -20.014 -16.577 1.00 23.14 C ATOM 877 OH TYR A 55 8.845 -20.872 -17.619 1.00 22.34 O ATOM 0 H TYR A 55 11.683 -15.763 -12.099 1.00 30.03 H new ATOM 0 HA TYR A 55 10.864 -18.592 -11.843 1.00 53.15 H new ATOM 0 HB2 TYR A 55 9.065 -17.272 -12.684 1.00 15.11 H new ATOM 0 HB3 TYR A 55 10.120 -16.337 -13.724 1.00 15.11 H new ATOM 0 HD1 TYR A 55 10.988 -17.324 -15.837 1.00 51.23 H new ATOM 0 HD2 TYR A 55 8.243 -19.459 -13.377 1.00 15.15 H new ATOM 0 HE1 TYR A 55 10.513 -18.853 -17.697 1.00 41.35 H new ATOM 0 HE2 TYR A 55 7.769 -20.992 -15.234 1.00 32.54 H new ATOM 0 HH TYR A 55 8.188 -21.540 -17.332 1.00 22.34 H new ATOM 887 N GLY A 56 13.266 -17.318 -13.578 1.00 32.14 N ATOM 888 CA GLY A 56 14.402 -17.639 -14.422 1.00 55.11 C ATOM 889 C GLY A 56 15.567 -18.205 -13.636 1.00 21.42 C ATOM 890 O GLY A 56 16.728 -17.973 -13.977 1.00 14.30 O ATOM 0 H GLY A 56 13.290 -16.386 -13.163 1.00 32.14 H new ATOM 0 HA2 GLY A 56 14.095 -18.359 -15.180 1.00 55.11 H new ATOM 0 HA3 GLY A 56 14.725 -16.741 -14.948 1.00 55.11 H new ATOM 894 N LEU A 57 15.260 -18.950 -12.579 1.00 53.43 N ATOM 895 CA LEU A 57 16.291 -19.550 -11.740 1.00 61.13 C ATOM 896 C LEU A 57 16.316 -21.066 -11.909 1.00 11.11 C ATOM 897 O LEU A 57 15.309 -21.696 -12.235 1.00 2.55 O ATOM 898 CB LEU A 57 16.054 -19.193 -10.272 1.00 11.30 C ATOM 899 CG LEU A 57 16.341 -17.743 -9.879 1.00 72.03 C ATOM 900 CD1 LEU A 57 15.699 -17.416 -8.540 1.00 0.21 C ATOM 901 CD2 LEU A 57 17.841 -17.491 -9.830 1.00 14.30 C ATOM 0 H LEU A 57 14.305 -19.153 -12.283 1.00 53.43 H new ATOM 0 HA LEU A 57 17.256 -19.152 -12.053 1.00 61.13 H new ATOM 0 HB2 LEU A 57 15.015 -19.416 -10.028 1.00 11.30 H new ATOM 0 HB3 LEU A 57 16.673 -19.845 -9.656 1.00 11.30 H new ATOM 0 HG LEU A 57 15.908 -17.089 -10.635 1.00 72.03 H new ATOM 0 HD11 LEU A 57 15.914 -16.380 -8.277 1.00 0.21 H new ATOM 0 HD12 LEU A 57 14.620 -17.556 -8.610 1.00 0.21 H new ATOM 0 HD13 LEU A 57 16.102 -18.077 -7.772 1.00 0.21 H new ATOM 0 HD21 LEU A 57 18.027 -16.454 -9.549 1.00 14.30 H new ATOM 0 HD22 LEU A 57 18.297 -18.154 -9.095 1.00 14.30 H new ATOM 0 HD23 LEU A 57 18.275 -17.684 -10.811 1.00 14.30 H new ATOM 913 N PRO A 58 17.493 -21.668 -11.680 1.00 54.24 N ATOM 914 CA PRO A 58 17.676 -23.117 -11.798 1.00 64.42 C ATOM 915 C PRO A 58 16.958 -23.884 -10.693 1.00 62.42 C ATOM 916 O PRO A 58 16.235 -24.843 -10.959 1.00 72.31 O ATOM 917 CB PRO A 58 19.192 -23.294 -11.674 1.00 32.02 C ATOM 918 CG PRO A 58 19.649 -22.107 -10.898 1.00 62.22 C ATOM 919 CD PRO A 58 18.734 -20.980 -11.289 1.00 2.42 C ATOM 0 HA PRO A 58 17.262 -23.506 -12.728 1.00 64.42 H new ATOM 0 HB2 PRO A 58 19.442 -24.223 -11.161 1.00 32.02 H new ATOM 0 HB3 PRO A 58 19.668 -23.334 -12.654 1.00 32.02 H new ATOM 0 HG2 PRO A 58 19.597 -22.298 -9.826 1.00 62.22 H new ATOM 0 HG3 PRO A 58 20.687 -21.865 -11.129 1.00 62.22 H new ATOM 0 HD2 PRO A 58 18.568 -20.292 -10.460 1.00 2.42 H new ATOM 0 HD3 PRO A 58 19.146 -20.395 -12.112 1.00 2.42 H new ATOM 927 N GLY A 59 17.163 -23.455 -9.452 1.00 33.15 N ATOM 928 CA GLY A 59 16.527 -24.113 -8.325 1.00 22.11 C ATOM 929 C GLY A 59 15.025 -24.227 -8.492 1.00 11.31 C ATOM 930 O GLY A 59 14.391 -23.353 -9.084 1.00 5.12 O ATOM 0 H GLY A 59 17.758 -22.664 -9.206 1.00 33.15 H new ATOM 0 HA2 GLY A 59 16.952 -25.109 -8.203 1.00 22.11 H new ATOM 0 HA3 GLY A 59 16.747 -23.558 -7.413 1.00 22.11 H new ATOM 934 N SER A 60 14.453 -25.307 -7.970 1.00 62.45 N ATOM 935 CA SER A 60 13.016 -25.535 -8.070 1.00 23.25 C ATOM 936 C SER A 60 12.377 -25.585 -6.685 1.00 24.30 C ATOM 937 O SER A 60 13.064 -25.755 -5.678 1.00 74.41 O ATOM 938 CB SER A 60 12.736 -26.838 -8.821 1.00 34.24 C ATOM 939 OG SER A 60 11.351 -26.989 -9.080 1.00 33.33 O ATOM 0 H SER A 60 14.962 -26.038 -7.474 1.00 62.45 H new ATOM 0 HA SER A 60 12.578 -24.704 -8.624 1.00 23.25 H new ATOM 0 HB2 SER A 60 13.288 -26.846 -9.761 1.00 34.24 H new ATOM 0 HB3 SER A 60 13.094 -27.684 -8.234 1.00 34.24 H new ATOM 0 HG SER A 60 11.198 -27.828 -9.562 1.00 33.33 H new ATOM 945 N GLY A 61 11.057 -25.436 -6.643 1.00 52.45 N ATOM 946 CA GLY A 61 10.346 -25.466 -5.379 1.00 22.44 C ATOM 947 C GLY A 61 10.940 -24.518 -4.356 1.00 43.35 C ATOM 948 O GLY A 61 11.263 -23.372 -4.675 1.00 74.31 O ATOM 0 H GLY A 61 10.467 -25.295 -7.463 1.00 52.45 H new ATOM 0 HA2 GLY A 61 9.301 -25.205 -5.547 1.00 22.44 H new ATOM 0 HA3 GLY A 61 10.361 -26.481 -4.981 1.00 22.44 H new ATOM 952 N LEU A 62 11.085 -24.993 -3.124 1.00 53.14 N ATOM 953 CA LEU A 62 11.643 -24.178 -2.051 1.00 32.23 C ATOM 954 C LEU A 62 13.164 -24.117 -2.148 1.00 53.20 C ATOM 955 O LEU A 62 13.820 -23.439 -1.358 1.00 33.41 O ATOM 956 CB LEU A 62 11.230 -24.741 -0.690 1.00 12.15 C ATOM 957 CG LEU A 62 9.816 -25.317 -0.602 1.00 62.44 C ATOM 958 CD1 LEU A 62 9.862 -26.836 -0.547 1.00 32.54 C ATOM 959 CD2 LEU A 62 9.086 -24.759 0.610 1.00 3.14 C ATOM 0 H LEU A 62 10.824 -25.938 -2.843 1.00 53.14 H new ATOM 0 HA LEU A 62 11.250 -23.167 -2.154 1.00 32.23 H new ATOM 0 HB2 LEU A 62 11.937 -25.523 -0.413 1.00 12.15 H new ATOM 0 HB3 LEU A 62 11.325 -23.948 0.052 1.00 12.15 H new ATOM 0 HG LEU A 62 9.268 -25.022 -1.497 1.00 62.44 H new ATOM 0 HD11 LEU A 62 8.847 -27.229 -0.485 1.00 32.54 H new ATOM 0 HD12 LEU A 62 10.344 -27.218 -1.447 1.00 32.54 H new ATOM 0 HD13 LEU A 62 10.428 -27.151 0.330 1.00 32.54 H new ATOM 0 HD21 LEU A 62 8.082 -25.180 0.656 1.00 3.14 H new ATOM 0 HD22 LEU A 62 9.632 -25.022 1.516 1.00 3.14 H new ATOM 0 HD23 LEU A 62 9.021 -23.674 0.528 1.00 3.14 H new ATOM 971 N GLY A 63 13.718 -24.828 -3.125 1.00 25.00 N ATOM 972 CA GLY A 63 15.158 -24.839 -3.309 1.00 51.03 C ATOM 973 C GLY A 63 15.688 -23.510 -3.810 1.00 64.44 C ATOM 974 O GLY A 63 16.703 -23.015 -3.320 1.00 64.14 O ATOM 0 H GLY A 63 13.196 -25.396 -3.792 1.00 25.00 H new ATOM 0 HA2 GLY A 63 15.640 -25.086 -2.363 1.00 51.03 H new ATOM 0 HA3 GLY A 63 15.425 -25.623 -4.017 1.00 51.03 H new ATOM 978 N ARG A 64 15.002 -22.933 -4.791 1.00 13.33 N ATOM 979 CA ARG A 64 15.412 -21.655 -5.361 1.00 14.25 C ATOM 980 C ARG A 64 15.445 -20.568 -4.290 1.00 41.10 C ATOM 981 O ARG A 64 16.137 -19.560 -4.437 1.00 23.15 O ATOM 982 CB ARG A 64 14.461 -21.246 -6.488 1.00 22.55 C ATOM 983 CG ARG A 64 13.175 -20.603 -5.996 1.00 52.12 C ATOM 984 CD ARG A 64 12.162 -20.454 -7.120 1.00 74.24 C ATOM 985 NE ARG A 64 10.909 -21.143 -6.823 1.00 32.23 N ATOM 986 CZ ARG A 64 9.965 -21.376 -7.728 1.00 12.51 C ATOM 987 NH1 ARG A 64 10.131 -20.976 -8.981 1.00 71.43 N ATOM 988 NH2 ARG A 64 8.852 -22.009 -7.380 1.00 52.11 N ATOM 0 H ARG A 64 14.160 -23.330 -5.208 1.00 13.33 H new ATOM 0 HA ARG A 64 16.417 -21.772 -5.767 1.00 14.25 H new ATOM 0 HB2 ARG A 64 14.975 -20.550 -7.151 1.00 22.55 H new ATOM 0 HB3 ARG A 64 14.213 -22.127 -7.081 1.00 22.55 H new ATOM 0 HG2 ARG A 64 12.747 -21.208 -5.197 1.00 52.12 H new ATOM 0 HG3 ARG A 64 13.396 -19.624 -5.571 1.00 52.12 H new ATOM 0 HD2 ARG A 64 11.962 -19.396 -7.290 1.00 74.24 H new ATOM 0 HD3 ARG A 64 12.584 -20.851 -8.043 1.00 74.24 H new ATOM 0 HE ARG A 64 10.750 -21.463 -5.868 1.00 32.23 H new ATOM 0 HH11 ARG A 64 10.985 -20.488 -9.252 1.00 71.43 H new ATOM 0 HH12 ARG A 64 9.405 -21.156 -9.674 1.00 71.43 H new ATOM 0 HH21 ARG A 64 8.721 -22.317 -6.417 1.00 52.11 H new ATOM 0 HH22 ARG A 64 8.128 -22.187 -8.076 1.00 52.11 H new ATOM 1002 N ILE A 65 14.693 -20.780 -3.215 1.00 40.14 N ATOM 1003 CA ILE A 65 14.637 -19.819 -2.121 1.00 5.21 C ATOM 1004 C ILE A 65 16.038 -19.430 -1.659 1.00 52.33 C ATOM 1005 O ILE A 65 16.261 -18.311 -1.198 1.00 32.25 O ATOM 1006 CB ILE A 65 13.850 -20.377 -0.921 1.00 23.33 C ATOM 1007 CG1 ILE A 65 12.388 -20.612 -1.307 1.00 24.15 C ATOM 1008 CG2 ILE A 65 13.945 -19.427 0.263 1.00 1.24 C ATOM 1009 CD1 ILE A 65 11.452 -20.671 -0.120 1.00 22.02 C ATOM 0 H ILE A 65 14.114 -21.609 -3.079 1.00 40.14 H new ATOM 0 HA ILE A 65 14.124 -18.936 -2.503 1.00 5.21 H new ATOM 0 HB ILE A 65 14.288 -21.332 -0.631 1.00 23.33 H new ATOM 0 HG12 ILE A 65 12.064 -19.814 -1.975 1.00 24.15 H new ATOM 0 HG13 ILE A 65 12.313 -21.545 -1.865 1.00 24.15 H new ATOM 0 HG21 ILE A 65 13.384 -19.836 1.103 1.00 1.24 H new ATOM 0 HG22 ILE A 65 14.990 -19.306 0.549 1.00 1.24 H new ATOM 0 HG23 ILE A 65 13.530 -18.458 -0.014 1.00 1.24 H new ATOM 0 HD11 ILE A 65 10.433 -20.840 -0.468 1.00 22.02 H new ATOM 0 HD12 ILE A 65 11.750 -21.487 0.538 1.00 22.02 H new ATOM 0 HD13 ILE A 65 11.497 -19.729 0.426 1.00 22.02 H new ATOM 1021 N GLU A 66 16.978 -20.361 -1.790 1.00 10.45 N ATOM 1022 CA GLU A 66 18.357 -20.114 -1.386 1.00 44.34 C ATOM 1023 C GLU A 66 19.138 -19.433 -2.507 1.00 1.21 C ATOM 1024 O GLU A 66 20.049 -18.645 -2.253 1.00 74.43 O ATOM 1025 CB GLU A 66 19.041 -21.426 -0.998 1.00 63.20 C ATOM 1026 CG GLU A 66 19.441 -22.280 -2.190 1.00 32.24 C ATOM 1027 CD GLU A 66 19.388 -23.765 -1.887 1.00 23.11 C ATOM 1028 OE1 GLU A 66 19.425 -24.130 -0.693 1.00 42.42 O ATOM 1029 OE2 GLU A 66 19.310 -24.563 -2.845 1.00 1.22 O ATOM 0 H GLU A 66 16.810 -21.292 -2.172 1.00 10.45 H new ATOM 0 HA GLU A 66 18.342 -19.451 -0.521 1.00 44.34 H new ATOM 0 HB2 GLU A 66 19.930 -21.202 -0.408 1.00 63.20 H new ATOM 0 HB3 GLU A 66 18.370 -22.000 -0.359 1.00 63.20 H new ATOM 0 HG2 GLU A 66 18.780 -22.060 -3.028 1.00 32.24 H new ATOM 0 HG3 GLU A 66 20.451 -22.012 -2.502 1.00 32.24 H new ATOM 1036 N ASN A 67 18.774 -19.743 -3.747 1.00 24.31 N ATOM 1037 CA ASN A 67 19.441 -19.163 -4.907 1.00 11.10 C ATOM 1038 C ASN A 67 19.036 -17.704 -5.094 1.00 12.25 C ATOM 1039 O ASN A 67 19.885 -16.815 -5.142 1.00 1.43 O ATOM 1040 CB ASN A 67 19.105 -19.962 -6.167 1.00 73.34 C ATOM 1041 CG ASN A 67 19.880 -21.263 -6.251 1.00 34.21 C ATOM 1042 OD1 ASN A 67 20.918 -21.339 -6.908 1.00 30.01 O ATOM 1043 ND2 ASN A 67 19.377 -22.295 -5.583 1.00 74.25 N ATOM 0 H ASN A 67 18.021 -20.392 -3.974 1.00 24.31 H new ATOM 0 HA ASN A 67 20.516 -19.204 -4.735 1.00 11.10 H new ATOM 0 HB2 ASN A 67 18.037 -20.177 -6.183 1.00 73.34 H new ATOM 0 HB3 ASN A 67 19.322 -19.356 -7.047 1.00 73.34 H new ATOM 0 HD21 ASN A 67 19.854 -23.196 -5.602 1.00 74.25 H new ATOM 0 HD22 ASN A 67 18.513 -22.186 -5.051 1.00 74.25 H new ATOM 1050 N ALA A 68 17.732 -17.466 -5.197 1.00 44.12 N ATOM 1051 CA ALA A 68 17.214 -16.115 -5.376 1.00 22.34 C ATOM 1052 C ALA A 68 17.644 -15.207 -4.229 1.00 12.42 C ATOM 1053 O ALA A 68 18.171 -14.117 -4.452 1.00 22.40 O ATOM 1054 CB ALA A 68 15.697 -16.143 -5.490 1.00 2.20 C ATOM 0 H ALA A 68 17.016 -18.191 -5.160 1.00 44.12 H new ATOM 0 HA ALA A 68 17.629 -15.712 -6.300 1.00 22.34 H new ATOM 0 HB1 ALA A 68 15.323 -15.128 -5.623 1.00 2.20 H new ATOM 0 HB2 ALA A 68 15.408 -16.752 -6.347 1.00 2.20 H new ATOM 0 HB3 ALA A 68 15.272 -16.570 -4.582 1.00 2.20 H new ATOM 1060 N MET A 69 17.414 -15.661 -3.001 1.00 73.55 N ATOM 1061 CA MET A 69 17.778 -14.889 -1.820 1.00 11.43 C ATOM 1062 C MET A 69 19.268 -14.565 -1.820 1.00 45.41 C ATOM 1063 O MET A 69 19.663 -13.415 -1.630 1.00 21.13 O ATOM 1064 CB MET A 69 17.411 -15.657 -0.549 1.00 4.04 C ATOM 1065 CG MET A 69 17.746 -14.909 0.732 1.00 42.14 C ATOM 1066 SD MET A 69 18.469 -15.977 1.992 1.00 74.23 S ATOM 1067 CE MET A 69 17.139 -17.151 2.243 1.00 2.24 C ATOM 0 H MET A 69 16.977 -16.560 -2.799 1.00 73.55 H new ATOM 0 HA MET A 69 17.221 -13.952 -1.843 1.00 11.43 H new ATOM 0 HB2 MET A 69 16.344 -15.877 -0.563 1.00 4.04 H new ATOM 0 HB3 MET A 69 17.934 -16.614 -0.549 1.00 4.04 H new ATOM 0 HG2 MET A 69 18.441 -14.100 0.505 1.00 42.14 H new ATOM 0 HG3 MET A 69 16.840 -14.449 1.127 1.00 42.14 H new ATOM 0 HE1 MET A 69 17.216 -17.580 3.242 1.00 2.24 H new ATOM 0 HE2 MET A 69 16.180 -16.643 2.139 1.00 2.24 H new ATOM 0 HE3 MET A 69 17.210 -17.946 1.501 1.00 2.24 H new ATOM 1077 N ASN A 70 20.091 -15.586 -2.035 1.00 5.12 N ATOM 1078 CA ASN A 70 21.539 -15.409 -2.059 1.00 31.11 C ATOM 1079 C ASN A 70 21.946 -14.401 -3.129 1.00 41.20 C ATOM 1080 O ASN A 70 23.021 -13.806 -3.058 1.00 13.35 O ATOM 1081 CB ASN A 70 22.233 -16.749 -2.314 1.00 0.41 C ATOM 1082 CG ASN A 70 23.724 -16.593 -2.542 1.00 41.23 C ATOM 1083 OD1 ASN A 70 24.175 -16.419 -3.675 1.00 21.34 O ATOM 1084 ND2 ASN A 70 24.497 -16.655 -1.464 1.00 43.44 N ATOM 0 H ASN A 70 19.780 -16.544 -2.195 1.00 5.12 H new ATOM 0 HA ASN A 70 21.850 -15.026 -1.087 1.00 31.11 H new ATOM 0 HB2 ASN A 70 22.065 -17.410 -1.463 1.00 0.41 H new ATOM 0 HB3 ASN A 70 21.783 -17.228 -3.184 1.00 0.41 H new ATOM 0 HD21 ASN A 70 25.508 -16.557 -1.555 1.00 43.44 H new ATOM 0 HD22 ASN A 70 24.080 -16.801 -0.545 1.00 43.44 H new ATOM 1091 N GLU A 71 21.079 -14.215 -4.120 1.00 1.45 N ATOM 1092 CA GLU A 71 21.349 -13.278 -5.204 1.00 62.43 C ATOM 1093 C GLU A 71 20.892 -11.870 -4.834 1.00 71.44 C ATOM 1094 O GLU A 71 21.661 -10.913 -4.925 1.00 51.13 O ATOM 1095 CB GLU A 71 20.649 -13.733 -6.487 1.00 22.44 C ATOM 1096 CG GLU A 71 21.371 -13.313 -7.756 1.00 32.20 C ATOM 1097 CD GLU A 71 21.509 -11.808 -7.877 1.00 61.14 C ATOM 1098 OE1 GLU A 71 20.513 -11.099 -7.622 1.00 3.01 O ATOM 1099 OE2 GLU A 71 22.612 -11.339 -8.228 1.00 21.40 O ATOM 0 H GLU A 71 20.185 -14.700 -4.194 1.00 1.45 H new ATOM 0 HA GLU A 71 22.426 -13.258 -5.373 1.00 62.43 H new ATOM 0 HB2 GLU A 71 20.556 -14.819 -6.475 1.00 22.44 H new ATOM 0 HB3 GLU A 71 19.638 -13.327 -6.503 1.00 22.44 H new ATOM 0 HG2 GLU A 71 22.362 -13.768 -7.774 1.00 32.20 H new ATOM 0 HG3 GLU A 71 20.829 -13.695 -8.621 1.00 32.20 H new ATOM 1106 N ILE A 72 19.636 -11.753 -4.418 1.00 33.12 N ATOM 1107 CA ILE A 72 19.076 -10.463 -4.034 1.00 20.22 C ATOM 1108 C ILE A 72 19.772 -9.909 -2.796 1.00 3.54 C ATOM 1109 O ILE A 72 19.685 -8.716 -2.504 1.00 0.13 O ATOM 1110 CB ILE A 72 17.565 -10.565 -3.756 1.00 75.45 C ATOM 1111 CG1 ILE A 72 16.840 -11.152 -4.970 1.00 31.24 C ATOM 1112 CG2 ILE A 72 16.997 -9.198 -3.404 1.00 21.52 C ATOM 1113 CD1 ILE A 72 17.065 -10.370 -6.245 1.00 24.33 C ATOM 0 H ILE A 72 18.987 -12.536 -4.338 1.00 33.12 H new ATOM 0 HA ILE A 72 19.238 -9.787 -4.873 1.00 20.22 H new ATOM 0 HB ILE A 72 17.411 -11.230 -2.906 1.00 75.45 H new ATOM 0 HG12 ILE A 72 17.173 -12.179 -5.120 1.00 31.24 H new ATOM 0 HG13 ILE A 72 15.771 -11.190 -4.761 1.00 31.24 H new ATOM 0 HG21 ILE A 72 15.928 -9.287 -3.210 1.00 21.52 H new ATOM 0 HG22 ILE A 72 17.496 -8.815 -2.514 1.00 21.52 H new ATOM 0 HG23 ILE A 72 17.159 -8.512 -4.235 1.00 21.52 H new ATOM 0 HD11 ILE A 72 16.522 -10.843 -7.063 1.00 24.33 H new ATOM 0 HD12 ILE A 72 16.706 -9.349 -6.114 1.00 24.33 H new ATOM 0 HD13 ILE A 72 18.130 -10.353 -6.478 1.00 24.33 H new ATOM 1125 N SER A 73 20.465 -10.782 -2.072 1.00 1.02 N ATOM 1126 CA SER A 73 21.176 -10.380 -0.863 1.00 75.34 C ATOM 1127 C SER A 73 22.471 -9.654 -1.211 1.00 42.42 C ATOM 1128 O SER A 73 23.144 -9.108 -0.336 1.00 61.51 O ATOM 1129 CB SER A 73 21.480 -11.603 0.005 1.00 43.34 C ATOM 1130 OG SER A 73 22.586 -11.360 0.857 1.00 12.13 O ATOM 0 H SER A 73 20.550 -11.772 -2.301 1.00 1.02 H new ATOM 0 HA SER A 73 20.536 -9.697 -0.304 1.00 75.34 H new ATOM 0 HB2 SER A 73 20.604 -11.855 0.603 1.00 43.34 H new ATOM 0 HB3 SER A 73 21.689 -12.462 -0.632 1.00 43.34 H new ATOM 0 HG SER A 73 22.802 -10.404 0.848 1.00 12.13 H new ATOM 1136 N ARG A 74 22.814 -9.651 -2.495 1.00 42.41 N ATOM 1137 CA ARG A 74 24.029 -8.993 -2.960 1.00 3.52 C ATOM 1138 C ARG A 74 23.748 -7.545 -3.352 1.00 12.02 C ATOM 1139 O ARG A 74 22.675 -7.012 -3.068 1.00 31.10 O ATOM 1140 CB ARG A 74 24.621 -9.749 -4.151 1.00 11.23 C ATOM 1141 CG ARG A 74 24.794 -11.238 -3.901 1.00 73.23 C ATOM 1142 CD ARG A 74 26.260 -11.641 -3.926 1.00 51.24 C ATOM 1143 NE ARG A 74 26.910 -11.264 -5.179 1.00 13.42 N ATOM 1144 CZ ARG A 74 28.225 -11.144 -5.317 1.00 44.11 C ATOM 1145 NH1 ARG A 74 29.027 -11.371 -4.286 1.00 21.01 N ATOM 1146 NH2 ARG A 74 28.742 -10.797 -6.489 1.00 54.22 N ATOM 0 H ARG A 74 22.268 -10.097 -3.232 1.00 42.41 H new ATOM 0 HA ARG A 74 24.749 -8.997 -2.142 1.00 3.52 H new ATOM 0 HB2 ARG A 74 23.976 -9.607 -5.018 1.00 11.23 H new ATOM 0 HB3 ARG A 74 25.590 -9.316 -4.400 1.00 11.23 H new ATOM 0 HG2 ARG A 74 24.360 -11.499 -2.935 1.00 73.23 H new ATOM 0 HG3 ARG A 74 24.248 -11.801 -4.658 1.00 73.23 H new ATOM 0 HD2 ARG A 74 26.780 -11.170 -3.092 1.00 51.24 H new ATOM 0 HD3 ARG A 74 26.342 -12.719 -3.785 1.00 51.24 H new ATOM 0 HE ARG A 74 26.321 -11.083 -5.992 1.00 13.42 H new ATOM 0 HH11 ARG A 74 28.634 -11.639 -3.384 1.00 21.01 H new ATOM 0 HH12 ARG A 74 30.037 -11.278 -4.395 1.00 21.01 H new ATOM 0 HH21 ARG A 74 28.129 -10.622 -7.285 1.00 54.22 H new ATOM 0 HH22 ARG A 74 29.752 -10.705 -6.594 1.00 54.22 H new ATOM 1160 N ARG A 75 24.719 -6.915 -4.005 1.00 13.31 N ATOM 1161 CA ARG A 75 24.576 -5.529 -4.434 1.00 40.21 C ATOM 1162 C ARG A 75 24.035 -5.454 -5.859 1.00 44.11 C ATOM 1163 O ARG A 75 24.172 -6.399 -6.635 1.00 21.11 O ATOM 1164 CB ARG A 75 25.921 -4.805 -4.349 1.00 22.11 C ATOM 1165 CG ARG A 75 26.474 -4.711 -2.936 1.00 54.21 C ATOM 1166 CD ARG A 75 25.979 -3.460 -2.227 1.00 13.02 C ATOM 1167 NE ARG A 75 24.715 -3.689 -1.531 1.00 25.14 N ATOM 1168 CZ ARG A 75 24.627 -4.274 -0.341 1.00 64.33 C ATOM 1169 NH1 ARG A 75 25.723 -4.687 0.281 1.00 41.11 N ATOM 1170 NH2 ARG A 75 23.442 -4.447 0.228 1.00 35.41 N ATOM 0 H ARG A 75 25.613 -7.342 -4.248 1.00 13.31 H new ATOM 0 HA ARG A 75 23.865 -5.040 -3.768 1.00 40.21 H new ATOM 0 HB2 ARG A 75 26.644 -5.324 -4.979 1.00 22.11 H new ATOM 0 HB3 ARG A 75 25.809 -3.799 -4.754 1.00 22.11 H new ATOM 0 HG2 ARG A 75 26.178 -5.593 -2.369 1.00 54.21 H new ATOM 0 HG3 ARG A 75 27.563 -4.704 -2.970 1.00 54.21 H new ATOM 0 HD2 ARG A 75 26.731 -3.127 -1.512 1.00 13.02 H new ATOM 0 HD3 ARG A 75 25.852 -2.658 -2.954 1.00 13.02 H new ATOM 0 HE ARG A 75 23.853 -3.383 -1.983 1.00 25.14 H new ATOM 0 HH11 ARG A 75 26.636 -4.556 -0.154 1.00 41.11 H new ATOM 0 HH12 ARG A 75 25.653 -5.136 1.194 1.00 41.11 H new ATOM 0 HH21 ARG A 75 22.597 -4.131 -0.248 1.00 35.41 H new ATOM 0 HH22 ARG A 75 23.376 -4.896 1.141 1.00 35.41 H new ATOM 1184 N GLU A 76 23.421 -4.324 -6.195 1.00 0.21 N ATOM 1185 CA GLU A 76 22.859 -4.127 -7.526 1.00 31.11 C ATOM 1186 C GLU A 76 23.954 -4.156 -8.589 1.00 13.14 C ATOM 1187 O GLU A 76 24.860 -3.324 -8.583 1.00 64.53 O ATOM 1188 CB GLU A 76 22.103 -2.799 -7.593 1.00 54.32 C ATOM 1189 CG GLU A 76 21.495 -2.513 -8.956 1.00 51.51 C ATOM 1190 CD GLU A 76 20.831 -1.151 -9.025 1.00 3.13 C ATOM 1191 OE1 GLU A 76 19.778 -0.972 -8.378 1.00 11.31 O ATOM 1192 OE2 GLU A 76 21.364 -0.265 -9.725 1.00 4.02 O ATOM 0 H GLU A 76 23.300 -3.532 -5.564 1.00 0.21 H new ATOM 0 HA GLU A 76 22.164 -4.943 -7.723 1.00 31.11 H new ATOM 0 HB2 GLU A 76 21.310 -2.804 -6.845 1.00 54.32 H new ATOM 0 HB3 GLU A 76 22.784 -1.989 -7.331 1.00 54.32 H new ATOM 0 HG2 GLU A 76 22.274 -2.572 -9.717 1.00 51.51 H new ATOM 0 HG3 GLU A 76 20.761 -3.283 -9.191 1.00 51.51 H new ATOM 1199 N ASN A 77 23.862 -5.120 -9.499 1.00 34.24 N ATOM 1200 CA ASN A 77 24.844 -5.259 -10.567 1.00 63.13 C ATOM 1201 C ASN A 77 24.316 -4.671 -11.872 1.00 52.11 C ATOM 1202 O ASN A 77 23.113 -4.486 -12.056 1.00 54.21 O ATOM 1203 CB ASN A 77 25.205 -6.732 -10.768 1.00 63.21 C ATOM 1204 CG ASN A 77 26.378 -7.162 -9.909 1.00 24.44 C ATOM 1205 OD1 ASN A 77 27.401 -7.621 -10.419 1.00 12.23 O ATOM 1206 ND2 ASN A 77 26.235 -7.016 -8.597 1.00 22.35 N ATOM 0 H ASN A 77 23.117 -5.816 -9.518 1.00 34.24 H new ATOM 0 HA ASN A 77 25.739 -4.709 -10.277 1.00 63.13 H new ATOM 0 HB2 ASN A 77 24.339 -7.351 -10.532 1.00 63.21 H new ATOM 0 HB3 ASN A 77 25.444 -6.905 -11.817 1.00 63.21 H new ATOM 0 HD21 ASN A 77 26.990 -7.289 -7.968 1.00 22.35 H new ATOM 0 HD22 ASN A 77 25.370 -6.631 -8.218 1.00 22.35 H new ATOM 1213 N PRO A 78 25.236 -4.370 -12.801 1.00 34.31 N ATOM 1214 CA PRO A 78 24.886 -3.800 -14.105 1.00 43.13 C ATOM 1215 C PRO A 78 24.166 -4.801 -15.002 1.00 21.42 C ATOM 1216 O PRO A 78 22.945 -4.942 -14.936 1.00 30.04 O ATOM 1217 CB PRO A 78 26.244 -3.426 -14.704 1.00 65.33 C ATOM 1218 CG PRO A 78 27.216 -4.339 -14.039 1.00 31.10 C ATOM 1219 CD PRO A 78 26.687 -4.564 -12.649 1.00 64.54 C ATOM 0 HA PRO A 78 24.199 -2.959 -14.011 1.00 43.13 H new ATOM 0 HB2 PRO A 78 26.250 -3.561 -15.786 1.00 65.33 H new ATOM 0 HB3 PRO A 78 26.487 -2.381 -14.512 1.00 65.33 H new ATOM 0 HG2 PRO A 78 27.301 -5.281 -14.581 1.00 31.10 H new ATOM 0 HG3 PRO A 78 28.212 -3.896 -14.011 1.00 31.10 H new ATOM 0 HD2 PRO A 78 26.923 -5.564 -12.286 1.00 64.54 H new ATOM 0 HD3 PRO A 78 27.114 -3.858 -11.937 1.00 64.54 H new TER 1227 PRO A 78