USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 60 HIS : no HD1:sc= -0.0472 K(o=1.1,f=-0.66) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -145:sc= 1.19 (180deg=0.976) USER MOD Set 2.1: A 56 MET CE :methyl -116:sc= -2.54 (180deg=-5.23!) USER MOD Set 2.2: A 75 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 35 THR OG1 : rot 112:sc= 1.35 USER MOD Set 3.2: A 38 GLN : amide:sc= 0.168 K(o=1.5,f=-5.4!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.122 K(o=1.5,f=-1) USER MOD Set 4.2: A 65 ASN : amide:sc= 0.0842 K(o=1.5,f=-0.74!) USER MOD Set 4.3: A 67 TYR OH : rot -133:sc= 1.25 USER MOD Single : A 15 ASN : amide:sc= 0.121 K(o=0.12,f=-4.8!) USER MOD Single : A 21 TYR OH : rot -142:sc= 1.06 USER MOD Single : A 22 GLN : amide:sc= 0.542 K(o=0.54,f=-0.22) USER MOD Single : A 23 GLN : amide:sc= 0.141 K(o=0.14,f=-5.1!) USER MOD Single : A 30 GLN : amide:sc= -0.933! C(o=-0.93!,f=-4!) USER MOD Single : A 33 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.0086) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 77:sc= 1.22 USER MOD Single : A 44 ASN : amide:sc= 0.691 K(o=0.69,f=-12!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.129 F(o=-0.89,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 53:sc= 1.95 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 84 ASN : amide:sc= 1.13 K(o=1.1,f=-1.2!) USER MOD Single : A 85 GLN : amide:sc= -2.01! C(o=-2!,f=-3.6!) USER MOD Single : A 87 MET CE :methyl -129:sc= -0.0997 (180deg=-0.841) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 5.950 -4.851 -2.853 1.00 54.44 N ATOM 2 CA ASP A 14 5.719 -4.550 -1.432 1.00 64.12 C ATOM 3 C ASP A 14 5.301 -3.083 -1.318 1.00 73.20 C ATOM 4 O ASP A 14 5.350 -2.395 -2.326 1.00 12.14 O ATOM 5 CB ASP A 14 7.014 -4.833 -0.644 1.00 13.14 C ATOM 6 CG ASP A 14 6.916 -4.426 0.798 1.00 62.41 C ATOM 7 OD1 ASP A 14 5.881 -4.723 1.416 1.00 72.13 O ATOM 8 OD2 ASP A 14 7.814 -3.717 1.269 1.00 51.40 O ATOM 0 HA ASP A 14 4.928 -5.174 -1.016 1.00 64.12 H new ATOM 0 HB2 ASP A 14 7.245 -5.897 -0.702 1.00 13.14 H new ATOM 0 HB3 ASP A 14 7.843 -4.301 -1.112 1.00 13.14 H new ATOM 13 N ASN A 15 4.835 -2.651 -0.124 1.00 63.32 N ATOM 14 CA ASN A 15 4.496 -1.233 0.224 1.00 72.04 C ATOM 15 C ASN A 15 3.740 -0.499 -0.927 1.00 22.22 C ATOM 16 O ASN A 15 2.946 -1.111 -1.665 1.00 64.02 O ATOM 17 CB ASN A 15 5.809 -0.499 0.618 1.00 54.01 C ATOM 18 CG ASN A 15 5.607 0.752 1.469 1.00 1.51 C ATOM 19 OD1 ASN A 15 5.415 1.854 0.945 1.00 4.04 O ATOM 20 ND2 ASN A 15 5.677 0.599 2.761 1.00 43.32 N ATOM 0 H ASN A 15 4.676 -3.291 0.654 1.00 63.32 H new ATOM 0 HA ASN A 15 3.806 -1.229 1.068 1.00 72.04 H new ATOM 0 HB2 ASN A 15 6.449 -1.194 1.163 1.00 54.01 H new ATOM 0 HB3 ASN A 15 6.342 -0.222 -0.292 1.00 54.01 H new ATOM 0 HD21 ASN A 15 5.572 1.406 3.377 1.00 43.32 H new ATOM 0 HD22 ASN A 15 5.837 -0.327 3.157 1.00 43.32 H new ATOM 27 N ARG A 16 3.848 0.812 -0.971 1.00 2.31 N ATOM 28 CA ARG A 16 3.243 1.604 -2.010 1.00 44.03 C ATOM 29 C ARG A 16 4.134 1.774 -3.237 1.00 32.42 C ATOM 30 O ARG A 16 3.788 1.312 -4.305 1.00 33.53 O ATOM 31 CB ARG A 16 2.738 2.921 -1.438 1.00 22.04 C ATOM 32 CG ARG A 16 1.685 2.729 -0.327 1.00 31.32 C ATOM 33 CD ARG A 16 0.359 2.126 -0.850 1.00 22.34 C ATOM 34 NE ARG A 16 0.519 0.753 -1.385 1.00 62.04 N ATOM 35 CZ ARG A 16 -0.284 0.153 -2.274 1.00 61.42 C ATOM 36 NH1 ARG A 16 -1.403 0.757 -2.695 1.00 31.43 N ATOM 37 NH2 ARG A 16 0.044 -1.054 -2.739 1.00 71.04 N ATOM 0 H ARG A 16 4.363 1.358 -0.280 1.00 2.31 H new ATOM 0 HA ARG A 16 2.379 1.056 -2.387 1.00 44.03 H new ATOM 0 HB2 ARG A 16 3.581 3.485 -1.039 1.00 22.04 H new ATOM 0 HB3 ARG A 16 2.307 3.518 -2.241 1.00 22.04 H new ATOM 0 HG2 ARG A 16 2.094 2.078 0.446 1.00 31.32 H new ATOM 0 HG3 ARG A 16 1.480 3.691 0.142 1.00 31.32 H new ATOM 0 HD2 ARG A 16 -0.371 2.112 -0.041 1.00 22.34 H new ATOM 0 HD3 ARG A 16 -0.043 2.770 -1.632 1.00 22.34 H new ATOM 0 HE ARG A 16 1.315 0.214 -1.044 1.00 62.04 H new ATOM 0 HH11 ARG A 16 -1.649 1.680 -2.339 1.00 31.43 H new ATOM 0 HH12 ARG A 16 -2.009 0.293 -3.372 1.00 31.43 H new ATOM 0 HH21 ARG A 16 0.898 -1.510 -2.417 1.00 71.04 H new ATOM 0 HH22 ARG A 16 -0.559 -1.521 -3.416 1.00 71.04 H new ATOM 51 N HIS A 17 5.311 2.385 -3.061 1.00 33.31 N ATOM 52 CA HIS A 17 6.215 2.605 -4.188 1.00 15.22 C ATOM 53 C HIS A 17 7.061 1.393 -4.361 1.00 15.14 C ATOM 54 O HIS A 17 7.445 1.083 -5.452 1.00 23.31 O ATOM 55 CB HIS A 17 7.093 3.868 -4.015 1.00 42.02 C ATOM 56 CG HIS A 17 7.990 4.184 -5.215 1.00 4.01 C ATOM 57 ND1 HIS A 17 9.226 4.785 -5.118 1.00 43.41 N ATOM 58 CD2 HIS A 17 7.770 4.020 -6.558 1.00 64.42 C ATOM 59 CE1 HIS A 17 9.693 4.979 -6.355 1.00 14.40 C ATOM 60 NE2 HIS A 17 8.851 4.534 -7.265 1.00 23.25 N ATOM 0 H HIS A 17 5.653 2.730 -2.164 1.00 33.31 H new ATOM 0 HA HIS A 17 5.613 2.778 -5.080 1.00 15.22 H new ATOM 0 HB2 HIS A 17 6.444 4.723 -3.826 1.00 42.02 H new ATOM 0 HB3 HIS A 17 7.719 3.742 -3.132 1.00 42.02 H new ATOM 0 HD1 HIS A 17 9.702 5.038 -4.252 1.00 43.41 H new ATOM 0 HD2 HIS A 17 6.895 3.564 -6.997 1.00 64.42 H new ATOM 0 HE1 HIS A 17 10.642 5.443 -6.580 1.00 14.40 H new ATOM 68 N ALA A 18 7.244 0.660 -3.243 1.00 31.30 N ATOM 69 CA ALA A 18 8.008 -0.596 -3.173 1.00 41.43 C ATOM 70 C ALA A 18 7.582 -1.642 -4.226 1.00 33.52 C ATOM 71 O ALA A 18 8.117 -2.744 -4.286 1.00 11.43 O ATOM 72 CB ALA A 18 8.131 -1.159 -1.778 1.00 53.44 C ATOM 0 H ALA A 18 6.853 0.936 -2.342 1.00 31.30 H new ATOM 0 HA ALA A 18 9.024 -0.315 -3.450 1.00 41.43 H new ATOM 0 HB1 ALA A 18 8.707 -2.084 -1.808 1.00 53.44 H new ATOM 0 HB2 ALA A 18 8.638 -0.437 -1.138 1.00 53.44 H new ATOM 0 HB3 ALA A 18 7.137 -1.363 -1.379 1.00 53.44 H new ATOM 78 N ALA A 19 6.468 -1.386 -4.899 1.00 64.21 N ATOM 79 CA ALA A 19 6.112 -2.125 -6.094 1.00 13.43 C ATOM 80 C ALA A 19 7.310 -2.074 -7.096 1.00 43.10 C ATOM 81 O ALA A 19 7.487 -2.984 -7.915 1.00 33.30 O ATOM 82 CB ALA A 19 4.862 -1.529 -6.726 1.00 52.22 C ATOM 0 H ALA A 19 5.795 -0.667 -4.633 1.00 64.21 H new ATOM 0 HA ALA A 19 5.900 -3.163 -5.836 1.00 13.43 H new ATOM 0 HB1 ALA A 19 4.604 -2.092 -7.623 1.00 52.22 H new ATOM 0 HB2 ALA A 19 4.036 -1.579 -6.016 1.00 52.22 H new ATOM 0 HB3 ALA A 19 5.049 -0.489 -6.992 1.00 52.22 H new ATOM 88 N ASP A 20 8.140 -1.020 -6.985 1.00 2.31 N ATOM 89 CA ASP A 20 9.387 -0.905 -7.750 1.00 75.01 C ATOM 90 C ASP A 20 10.355 -2.042 -7.312 1.00 33.42 C ATOM 91 O ASP A 20 10.921 -2.766 -8.133 1.00 63.51 O ATOM 92 CB ASP A 20 10.042 0.516 -7.603 1.00 12.43 C ATOM 93 CG ASP A 20 10.471 0.932 -6.182 1.00 42.11 C ATOM 94 OD1 ASP A 20 10.111 0.244 -5.197 1.00 31.24 O ATOM 95 OD2 ASP A 20 11.172 1.953 -6.050 1.00 30.32 O ATOM 0 H ASP A 20 7.963 -0.230 -6.365 1.00 2.31 H new ATOM 0 HA ASP A 20 9.163 -1.018 -8.811 1.00 75.01 H new ATOM 0 HB2 ASP A 20 10.919 0.556 -8.249 1.00 12.43 H new ATOM 0 HB3 ASP A 20 9.336 1.257 -7.977 1.00 12.43 H new ATOM 100 N TYR A 21 10.479 -2.197 -6.007 1.00 34.24 N ATOM 101 CA TYR A 21 11.177 -3.297 -5.325 1.00 41.12 C ATOM 102 C TYR A 21 10.575 -4.646 -5.722 1.00 65.42 C ATOM 103 O TYR A 21 11.270 -5.652 -5.756 1.00 33.20 O ATOM 104 CB TYR A 21 11.027 -3.072 -3.807 1.00 24.33 C ATOM 105 CG TYR A 21 11.481 -4.189 -2.901 1.00 11.45 C ATOM 106 CD1 TYR A 21 12.783 -4.262 -2.477 1.00 50.32 C ATOM 107 CD2 TYR A 21 10.578 -5.152 -2.435 1.00 75.40 C ATOM 108 CE1 TYR A 21 13.188 -5.241 -1.614 1.00 24.51 C ATOM 109 CE2 TYR A 21 10.981 -6.152 -1.575 1.00 33.10 C ATOM 110 CZ TYR A 21 12.284 -6.192 -1.163 1.00 34.22 C ATOM 111 OH TYR A 21 12.695 -7.149 -0.262 1.00 20.31 O ATOM 0 H TYR A 21 10.078 -1.529 -5.349 1.00 34.24 H new ATOM 0 HA TYR A 21 12.229 -3.310 -5.610 1.00 41.12 H new ATOM 0 HB2 TYR A 21 11.583 -2.173 -3.541 1.00 24.33 H new ATOM 0 HB3 TYR A 21 9.977 -2.871 -3.597 1.00 24.33 H new ATOM 0 HD1 TYR A 21 13.499 -3.535 -2.830 1.00 50.32 H new ATOM 0 HD2 TYR A 21 9.547 -5.111 -2.755 1.00 75.40 H new ATOM 0 HE1 TYR A 21 14.215 -5.275 -1.282 1.00 24.51 H new ATOM 0 HE2 TYR A 21 10.276 -6.894 -1.231 1.00 33.10 H new ATOM 0 HH TYR A 21 12.273 -8.006 -0.480 1.00 20.31 H new ATOM 121 N GLN A 22 9.284 -4.664 -6.028 1.00 55.33 N ATOM 122 CA GLN A 22 8.642 -5.901 -6.437 1.00 75.44 C ATOM 123 C GLN A 22 9.124 -6.267 -7.838 1.00 65.41 C ATOM 124 O GLN A 22 9.272 -7.432 -8.179 1.00 4.44 O ATOM 125 CB GLN A 22 7.117 -5.808 -6.422 1.00 24.24 C ATOM 126 CG GLN A 22 6.476 -7.182 -6.443 1.00 54.12 C ATOM 127 CD GLN A 22 6.664 -7.893 -5.113 1.00 20.31 C ATOM 128 OE1 GLN A 22 6.655 -7.241 -4.043 1.00 34.21 O ATOM 129 NE2 GLN A 22 6.948 -9.161 -5.154 1.00 34.43 N ATOM 0 H GLN A 22 8.671 -3.849 -6.001 1.00 55.33 H new ATOM 0 HA GLN A 22 8.918 -6.673 -5.718 1.00 75.44 H new ATOM 0 HB2 GLN A 22 6.793 -5.268 -5.532 1.00 24.24 H new ATOM 0 HB3 GLN A 22 6.778 -5.234 -7.284 1.00 24.24 H new ATOM 0 HG2 GLN A 22 5.412 -7.087 -6.661 1.00 54.12 H new ATOM 0 HG3 GLN A 22 6.914 -7.779 -7.243 1.00 54.12 H new ATOM 0 HE21 GLN A 22 6.944 -9.656 -6.046 1.00 34.43 H new ATOM 0 HE22 GLN A 22 7.174 -9.661 -4.294 1.00 34.43 H new ATOM 138 N GLN A 23 9.378 -5.253 -8.641 1.00 4.20 N ATOM 139 CA GLN A 23 9.965 -5.470 -9.935 1.00 63.21 C ATOM 140 C GLN A 23 11.384 -5.969 -9.772 1.00 70.34 C ATOM 141 O GLN A 23 11.805 -6.837 -10.489 1.00 44.04 O ATOM 142 CB GLN A 23 9.916 -4.211 -10.805 1.00 2.43 C ATOM 143 CG GLN A 23 8.547 -3.890 -11.380 1.00 73.51 C ATOM 144 CD GLN A 23 8.075 -4.955 -12.354 1.00 34.50 C ATOM 145 OE1 GLN A 23 8.352 -4.884 -13.559 1.00 23.51 O ATOM 146 NE2 GLN A 23 7.373 -5.944 -11.859 1.00 50.15 N ATOM 0 H GLN A 23 9.186 -4.277 -8.416 1.00 4.20 H new ATOM 0 HA GLN A 23 9.379 -6.229 -10.453 1.00 63.21 H new ATOM 0 HB2 GLN A 23 10.254 -3.362 -10.211 1.00 2.43 H new ATOM 0 HB3 GLN A 23 10.623 -4.326 -11.627 1.00 2.43 H new ATOM 0 HG2 GLN A 23 7.826 -3.796 -10.568 1.00 73.51 H new ATOM 0 HG3 GLN A 23 8.584 -2.926 -11.887 1.00 73.51 H new ATOM 0 HE21 GLN A 23 7.163 -5.971 -10.861 1.00 50.15 H new ATOM 0 HE22 GLN A 23 7.036 -6.687 -12.471 1.00 50.15 H new ATOM 155 N LEU A 24 12.098 -5.421 -8.795 1.00 61.04 N ATOM 156 CA LEU A 24 13.466 -5.856 -8.479 1.00 30.23 C ATOM 157 C LEU A 24 13.411 -7.362 -8.117 1.00 52.53 C ATOM 158 O LEU A 24 14.134 -8.168 -8.687 1.00 42.31 O ATOM 159 CB LEU A 24 14.001 -5.015 -7.282 1.00 15.42 C ATOM 160 CG LEU A 24 15.527 -4.786 -7.167 1.00 32.53 C ATOM 161 CD1 LEU A 24 15.839 -3.960 -5.932 1.00 42.24 C ATOM 162 CD2 LEU A 24 16.308 -6.085 -7.138 1.00 75.44 C ATOM 0 H LEU A 24 11.754 -4.668 -8.200 1.00 61.04 H new ATOM 0 HA LEU A 24 14.136 -5.710 -9.326 1.00 30.23 H new ATOM 0 HB2 LEU A 24 13.521 -4.037 -7.322 1.00 15.42 H new ATOM 0 HB3 LEU A 24 13.667 -5.496 -6.363 1.00 15.42 H new ATOM 0 HG LEU A 24 15.839 -4.244 -8.059 1.00 32.53 H new ATOM 0 HD11 LEU A 24 16.916 -3.805 -5.861 1.00 42.24 H new ATOM 0 HD12 LEU A 24 15.337 -2.995 -6.003 1.00 42.24 H new ATOM 0 HD13 LEU A 24 15.489 -4.486 -5.044 1.00 42.24 H new ATOM 0 HD21 LEU A 24 17.373 -5.868 -7.057 1.00 75.44 H new ATOM 0 HD22 LEU A 24 15.993 -6.680 -6.281 1.00 75.44 H new ATOM 0 HD23 LEU A 24 16.121 -6.643 -8.056 1.00 75.44 H new ATOM 174 N ARG A 25 12.488 -7.690 -7.210 1.00 11.32 N ATOM 175 CA ARG A 25 12.194 -9.063 -6.736 1.00 25.21 C ATOM 176 C ARG A 25 12.118 -10.080 -7.884 1.00 70.35 C ATOM 177 O ARG A 25 12.995 -10.935 -8.042 1.00 44.32 O ATOM 178 CB ARG A 25 10.826 -9.037 -6.037 1.00 73.51 C ATOM 179 CG ARG A 25 10.806 -9.023 -4.518 1.00 4.22 C ATOM 180 CD ARG A 25 11.185 -10.379 -3.956 1.00 41.01 C ATOM 181 NE ARG A 25 10.418 -11.468 -4.612 1.00 45.23 N ATOM 182 CZ ARG A 25 10.375 -12.738 -4.235 1.00 23.20 C ATOM 183 NH1 ARG A 25 10.820 -13.124 -3.048 1.00 3.01 N ATOM 184 NH2 ARG A 25 9.820 -13.610 -5.043 1.00 4.10 N ATOM 0 H ARG A 25 11.898 -6.988 -6.763 1.00 11.32 H new ATOM 0 HA ARG A 25 13.001 -9.369 -6.070 1.00 25.21 H new ATOM 0 HB2 ARG A 25 10.288 -8.156 -6.387 1.00 73.51 H new ATOM 0 HB3 ARG A 25 10.263 -9.908 -6.371 1.00 73.51 H new ATOM 0 HG2 ARG A 25 11.498 -8.266 -4.149 1.00 4.22 H new ATOM 0 HG3 ARG A 25 9.812 -8.745 -4.167 1.00 4.22 H new ATOM 0 HD2 ARG A 25 12.253 -10.548 -4.096 1.00 41.01 H new ATOM 0 HD3 ARG A 25 10.998 -10.395 -2.882 1.00 41.01 H new ATOM 0 HE ARG A 25 9.870 -11.214 -5.434 1.00 45.23 H new ATOM 0 HH11 ARG A 25 11.207 -12.437 -2.400 1.00 3.01 H new ATOM 0 HH12 ARG A 25 10.776 -14.108 -2.782 1.00 3.01 H new ATOM 0 HH21 ARG A 25 9.435 -13.304 -5.937 1.00 4.10 H new ATOM 0 HH22 ARG A 25 9.774 -14.594 -4.778 1.00 4.10 H new ATOM 198 N GLU A 26 11.099 -9.940 -8.698 1.00 63.32 N ATOM 199 CA GLU A 26 10.827 -10.870 -9.767 1.00 41.03 C ATOM 200 C GLU A 26 11.792 -10.763 -10.942 1.00 63.10 C ATOM 201 O GLU A 26 11.967 -11.715 -11.699 1.00 52.22 O ATOM 202 CB GLU A 26 9.379 -10.776 -10.205 1.00 11.24 C ATOM 203 CG GLU A 26 8.432 -11.636 -9.359 1.00 62.01 C ATOM 204 CD GLU A 26 8.494 -11.386 -7.853 1.00 43.43 C ATOM 205 OE1 GLU A 26 7.852 -10.434 -7.363 1.00 11.22 O ATOM 206 OE2 GLU A 26 9.180 -12.163 -7.142 1.00 75.45 O ATOM 0 H GLU A 26 10.431 -9.172 -8.636 1.00 63.32 H new ATOM 0 HA GLU A 26 10.998 -11.866 -9.358 1.00 41.03 H new ATOM 0 HB2 GLU A 26 9.058 -9.736 -10.153 1.00 11.24 H new ATOM 0 HB3 GLU A 26 9.302 -11.082 -11.248 1.00 11.24 H new ATOM 0 HG2 GLU A 26 7.410 -11.463 -9.698 1.00 62.01 H new ATOM 0 HG3 GLU A 26 8.657 -12.686 -9.546 1.00 62.01 H new ATOM 213 N ARG A 27 12.439 -9.627 -11.095 1.00 51.00 N ATOM 214 CA ARG A 27 13.401 -9.478 -12.167 1.00 34.04 C ATOM 215 C ARG A 27 14.719 -10.097 -11.848 1.00 11.44 C ATOM 216 O ARG A 27 15.509 -10.386 -12.750 1.00 14.03 O ATOM 217 CB ARG A 27 13.490 -8.081 -12.722 1.00 2.52 C ATOM 218 CG ARG A 27 12.154 -7.691 -13.320 1.00 25.43 C ATOM 219 CD ARG A 27 12.227 -6.491 -14.197 1.00 32.31 C ATOM 220 NE ARG A 27 10.877 -6.094 -14.643 1.00 35.42 N ATOM 221 CZ ARG A 27 10.232 -6.555 -15.735 1.00 34.43 C ATOM 222 NH1 ARG A 27 10.738 -7.566 -16.462 1.00 33.54 N ATOM 223 NH2 ARG A 27 9.035 -6.054 -16.038 1.00 63.11 N ATOM 0 H ARG A 27 12.320 -8.806 -10.502 1.00 51.00 H new ATOM 0 HA ARG A 27 13.005 -10.060 -12.999 1.00 34.04 H new ATOM 0 HB2 ARG A 27 13.766 -7.381 -11.933 1.00 2.52 H new ATOM 0 HB3 ARG A 27 14.270 -8.029 -13.482 1.00 2.52 H new ATOM 0 HG2 ARG A 27 11.763 -8.530 -13.896 1.00 25.43 H new ATOM 0 HG3 ARG A 27 11.445 -7.500 -12.514 1.00 25.43 H new ATOM 0 HD2 ARG A 27 12.695 -5.667 -13.658 1.00 32.31 H new ATOM 0 HD3 ARG A 27 12.855 -6.703 -15.063 1.00 32.31 H new ATOM 0 HE ARG A 27 10.385 -5.406 -14.072 1.00 35.42 H new ATOM 0 HH11 ARG A 27 11.622 -7.997 -16.191 1.00 33.54 H new ATOM 0 HH12 ARG A 27 10.238 -7.903 -17.285 1.00 33.54 H new ATOM 0 HH21 ARG A 27 8.620 -5.333 -15.448 1.00 63.11 H new ATOM 0 HH22 ARG A 27 8.534 -6.391 -16.860 1.00 63.11 H new ATOM 237 N LEU A 28 14.969 -10.317 -10.571 1.00 24.03 N ATOM 238 CA LEU A 28 16.118 -11.089 -10.177 1.00 21.24 C ATOM 239 C LEU A 28 15.962 -12.487 -10.717 1.00 62.12 C ATOM 240 O LEU A 28 16.875 -13.031 -11.280 1.00 53.43 O ATOM 241 CB LEU A 28 16.288 -11.138 -8.660 1.00 15.34 C ATOM 242 CG LEU A 28 16.622 -9.829 -7.976 1.00 15.44 C ATOM 243 CD1 LEU A 28 16.912 -10.067 -6.516 1.00 53.00 C ATOM 244 CD2 LEU A 28 17.790 -9.158 -8.660 1.00 72.04 C ATOM 0 H LEU A 28 14.395 -9.974 -9.801 1.00 24.03 H new ATOM 0 HA LEU A 28 17.009 -10.612 -10.584 1.00 21.24 H new ATOM 0 HB2 LEU A 28 15.366 -11.525 -8.226 1.00 15.34 H new ATOM 0 HB3 LEU A 28 17.075 -11.855 -8.428 1.00 15.34 H new ATOM 0 HG LEU A 28 15.763 -9.162 -8.050 1.00 15.44 H new ATOM 0 HD11 LEU A 28 17.151 -9.119 -6.033 1.00 53.00 H new ATOM 0 HD12 LEU A 28 16.037 -10.507 -6.038 1.00 53.00 H new ATOM 0 HD13 LEU A 28 17.758 -10.747 -6.419 1.00 53.00 H new ATOM 0 HD21 LEU A 28 18.016 -8.219 -8.155 1.00 72.04 H new ATOM 0 HD22 LEU A 28 18.661 -9.812 -8.618 1.00 72.04 H new ATOM 0 HD23 LEU A 28 17.536 -8.959 -9.701 1.00 72.04 H new ATOM 256 N ILE A 29 14.746 -13.002 -10.617 1.00 13.30 N ATOM 257 CA ILE A 29 14.364 -14.354 -11.077 1.00 43.42 C ATOM 258 C ILE A 29 14.787 -14.629 -12.509 1.00 13.12 C ATOM 259 O ILE A 29 15.195 -15.739 -12.842 1.00 73.23 O ATOM 260 CB ILE A 29 12.824 -14.576 -10.857 1.00 2.43 C ATOM 261 CG1 ILE A 29 12.570 -15.223 -9.508 1.00 52.25 C ATOM 262 CG2 ILE A 29 12.135 -15.354 -11.978 1.00 62.20 C ATOM 263 CD1 ILE A 29 13.259 -14.546 -8.359 1.00 71.24 C ATOM 0 H ILE A 29 13.968 -12.488 -10.205 1.00 13.30 H new ATOM 0 HA ILE A 29 14.908 -15.081 -10.473 1.00 43.42 H new ATOM 0 HB ILE A 29 12.372 -13.584 -10.876 1.00 2.43 H new ATOM 0 HG12 ILE A 29 11.497 -15.232 -9.319 1.00 52.25 H new ATOM 0 HG13 ILE A 29 12.895 -16.263 -9.550 1.00 52.25 H new ATOM 0 HG21 ILE A 29 11.075 -15.463 -11.747 1.00 62.20 H new ATOM 0 HG22 ILE A 29 12.248 -14.814 -12.918 1.00 62.20 H new ATOM 0 HG23 ILE A 29 12.590 -16.341 -12.069 1.00 62.20 H new ATOM 0 HD11 ILE A 29 13.024 -15.072 -7.433 1.00 71.24 H new ATOM 0 HD12 ILE A 29 14.337 -14.560 -8.521 1.00 71.24 H new ATOM 0 HD13 ILE A 29 12.917 -13.514 -8.287 1.00 71.24 H new ATOM 275 N GLN A 30 14.745 -13.598 -13.311 1.00 61.11 N ATOM 276 CA GLN A 30 15.127 -13.667 -14.702 1.00 30.23 C ATOM 277 C GLN A 30 16.604 -14.035 -14.807 1.00 62.42 C ATOM 278 O GLN A 30 16.983 -14.974 -15.487 1.00 4.12 O ATOM 279 CB GLN A 30 14.968 -12.287 -15.328 1.00 24.32 C ATOM 280 CG GLN A 30 13.640 -11.606 -15.100 1.00 5.01 C ATOM 281 CD GLN A 30 13.627 -10.179 -15.668 1.00 12.43 C ATOM 282 OE1 GLN A 30 12.594 -9.661 -16.104 1.00 51.05 O ATOM 283 NE2 GLN A 30 14.760 -9.506 -15.614 1.00 41.41 N ATOM 0 H GLN A 30 14.440 -12.671 -13.014 1.00 61.11 H new ATOM 0 HA GLN A 30 14.504 -14.407 -15.204 1.00 30.23 H new ATOM 0 HB2 GLN A 30 15.756 -11.641 -14.941 1.00 24.32 H new ATOM 0 HB3 GLN A 30 15.128 -12.377 -16.402 1.00 24.32 H new ATOM 0 HG2 GLN A 30 12.847 -12.190 -15.566 1.00 5.01 H new ATOM 0 HG3 GLN A 30 13.426 -11.574 -14.032 1.00 5.01 H new ATOM 0 HE21 GLN A 30 15.602 -9.953 -15.250 1.00 41.41 H new ATOM 0 HE22 GLN A 30 14.794 -8.539 -15.936 1.00 41.41 H new ATOM 292 N GLU A 31 17.414 -13.280 -14.099 1.00 51.41 N ATOM 293 CA GLU A 31 18.852 -13.387 -14.197 1.00 52.41 C ATOM 294 C GLU A 31 19.414 -14.450 -13.271 1.00 25.41 C ATOM 295 O GLU A 31 20.533 -14.919 -13.460 1.00 11.31 O ATOM 296 CB GLU A 31 19.475 -12.010 -13.978 1.00 13.12 C ATOM 297 CG GLU A 31 18.740 -10.978 -14.811 1.00 65.31 C ATOM 298 CD GLU A 31 19.419 -9.646 -14.957 1.00 62.35 C ATOM 299 OE1 GLU A 31 20.589 -9.619 -15.359 1.00 63.10 O ATOM 300 OE2 GLU A 31 18.748 -8.600 -14.784 1.00 31.23 O ATOM 0 H GLU A 31 17.093 -12.573 -13.438 1.00 51.41 H new ATOM 0 HA GLU A 31 19.117 -13.723 -15.200 1.00 52.41 H new ATOM 0 HB2 GLU A 31 19.426 -11.742 -12.923 1.00 13.12 H new ATOM 0 HB3 GLU A 31 20.530 -12.029 -14.253 1.00 13.12 H new ATOM 0 HG2 GLU A 31 18.578 -11.392 -15.806 1.00 65.31 H new ATOM 0 HG3 GLU A 31 17.757 -10.816 -14.369 1.00 65.31 H new ATOM 307 N LEU A 32 18.633 -14.823 -12.270 1.00 60.13 N ATOM 308 CA LEU A 32 19.013 -15.866 -11.363 1.00 42.21 C ATOM 309 C LEU A 32 18.653 -17.214 -11.958 1.00 62.20 C ATOM 310 O LEU A 32 19.183 -18.246 -11.552 1.00 35.11 O ATOM 311 CB LEU A 32 18.323 -15.684 -10.004 1.00 53.52 C ATOM 312 CG LEU A 32 18.595 -14.369 -9.300 1.00 33.33 C ATOM 313 CD1 LEU A 32 18.013 -14.342 -7.903 1.00 31.10 C ATOM 314 CD2 LEU A 32 20.059 -13.993 -9.310 1.00 34.51 C ATOM 0 H LEU A 32 17.723 -14.406 -12.073 1.00 60.13 H new ATOM 0 HA LEU A 32 20.090 -15.818 -11.205 1.00 42.21 H new ATOM 0 HB2 LEU A 32 17.247 -15.783 -10.147 1.00 53.52 H new ATOM 0 HB3 LEU A 32 18.633 -16.497 -9.348 1.00 53.52 H new ATOM 0 HG LEU A 32 18.078 -13.602 -9.877 1.00 33.33 H new ATOM 0 HD11 LEU A 32 18.232 -13.382 -7.436 1.00 31.10 H new ATOM 0 HD12 LEU A 32 16.933 -14.482 -7.956 1.00 31.10 H new ATOM 0 HD13 LEU A 32 18.454 -15.143 -7.310 1.00 31.10 H new ATOM 0 HD21 LEU A 32 20.194 -13.043 -8.792 1.00 34.51 H new ATOM 0 HD22 LEU A 32 20.637 -14.767 -8.805 1.00 34.51 H new ATOM 0 HD23 LEU A 32 20.403 -13.897 -10.340 1.00 34.51 H new ATOM 326 N ASN A 33 17.744 -17.159 -12.937 1.00 3.32 N ATOM 327 CA ASN A 33 17.218 -18.309 -13.673 1.00 4.43 C ATOM 328 C ASN A 33 16.639 -19.345 -12.698 1.00 31.01 C ATOM 329 O ASN A 33 17.147 -20.469 -12.549 1.00 22.14 O ATOM 330 CB ASN A 33 18.279 -18.928 -14.622 1.00 23.15 C ATOM 331 CG ASN A 33 17.722 -19.999 -15.572 1.00 52.20 C ATOM 332 OD1 ASN A 33 17.294 -19.703 -16.679 1.00 10.15 O ATOM 333 ND2 ASN A 33 17.726 -21.238 -15.148 1.00 15.31 N ATOM 0 H ASN A 33 17.340 -16.276 -13.249 1.00 3.32 H new ATOM 0 HA ASN A 33 16.408 -17.960 -14.313 1.00 4.43 H new ATOM 0 HB2 ASN A 33 18.730 -18.132 -15.214 1.00 23.15 H new ATOM 0 HB3 ASN A 33 19.075 -19.369 -14.022 1.00 23.15 H new ATOM 0 HD21 ASN A 33 17.367 -21.983 -15.745 1.00 15.31 H new ATOM 0 HD22 ASN A 33 18.089 -21.458 -14.220 1.00 15.31 H new ATOM 340 N LEU A 34 15.628 -18.922 -11.981 1.00 23.42 N ATOM 341 CA LEU A 34 14.953 -19.731 -11.018 1.00 74.33 C ATOM 342 C LEU A 34 13.554 -19.207 -10.792 1.00 71.05 C ATOM 343 O LEU A 34 13.173 -18.217 -11.395 1.00 2.13 O ATOM 344 CB LEU A 34 15.776 -19.860 -9.717 1.00 21.32 C ATOM 345 CG LEU A 34 16.391 -18.592 -9.106 1.00 71.24 C ATOM 346 CD1 LEU A 34 15.341 -17.654 -8.564 1.00 51.04 C ATOM 347 CD2 LEU A 34 17.380 -18.973 -8.029 1.00 4.15 C ATOM 0 H LEU A 34 15.248 -17.979 -12.059 1.00 23.42 H new ATOM 0 HA LEU A 34 14.856 -20.745 -11.405 1.00 74.33 H new ATOM 0 HB2 LEU A 34 15.133 -20.312 -8.962 1.00 21.32 H new ATOM 0 HB3 LEU A 34 16.587 -20.563 -9.907 1.00 21.32 H new ATOM 0 HG LEU A 34 16.911 -18.055 -9.900 1.00 71.24 H new ATOM 0 HD11 LEU A 34 15.824 -16.772 -8.142 1.00 51.04 H new ATOM 0 HD12 LEU A 34 14.673 -17.351 -9.370 1.00 51.04 H new ATOM 0 HD13 LEU A 34 14.767 -18.160 -7.787 1.00 51.04 H new ATOM 0 HD21 LEU A 34 17.814 -18.071 -7.598 1.00 4.15 H new ATOM 0 HD22 LEU A 34 16.869 -19.538 -7.249 1.00 4.15 H new ATOM 0 HD23 LEU A 34 18.171 -19.585 -8.462 1.00 4.15 H new ATOM 359 N THR A 35 12.803 -19.842 -9.945 1.00 60.52 N ATOM 360 CA THR A 35 11.464 -19.448 -9.693 1.00 71.13 C ATOM 361 C THR A 35 11.409 -18.515 -8.475 1.00 51.14 C ATOM 362 O THR A 35 12.278 -18.590 -7.611 1.00 21.13 O ATOM 363 CB THR A 35 10.604 -20.708 -9.515 1.00 32.54 C ATOM 364 OG1 THR A 35 11.438 -21.762 -9.010 1.00 42.41 O ATOM 365 CG2 THR A 35 9.990 -21.136 -10.840 1.00 72.54 C ATOM 0 H THR A 35 13.111 -20.653 -9.409 1.00 60.52 H new ATOM 0 HA THR A 35 11.063 -18.884 -10.535 1.00 71.13 H new ATOM 0 HB THR A 35 9.794 -20.494 -8.818 1.00 32.54 H new ATOM 0 HG1 THR A 35 11.170 -21.980 -8.093 1.00 42.41 H new ATOM 0 HG21 THR A 35 9.385 -22.030 -10.689 1.00 72.54 H new ATOM 0 HG22 THR A 35 9.361 -20.334 -11.226 1.00 72.54 H new ATOM 0 HG23 THR A 35 10.783 -21.351 -11.556 1.00 72.54 H new ATOM 373 N PRO A 36 10.384 -17.622 -8.389 1.00 31.02 N ATOM 374 CA PRO A 36 10.267 -16.578 -7.320 1.00 41.02 C ATOM 375 C PRO A 36 10.246 -17.099 -5.870 1.00 11.44 C ATOM 376 O PRO A 36 10.219 -16.313 -4.924 1.00 3.12 O ATOM 377 CB PRO A 36 8.941 -15.869 -7.652 1.00 61.52 C ATOM 378 CG PRO A 36 8.215 -16.803 -8.556 1.00 74.01 C ATOM 379 CD PRO A 36 9.270 -17.511 -9.349 1.00 15.42 C ATOM 0 HA PRO A 36 11.151 -15.941 -7.333 1.00 41.02 H new ATOM 0 HB2 PRO A 36 8.365 -15.668 -6.749 1.00 61.52 H new ATOM 0 HB3 PRO A 36 9.118 -14.909 -8.137 1.00 61.52 H new ATOM 0 HG2 PRO A 36 7.615 -17.511 -7.985 1.00 74.01 H new ATOM 0 HG3 PRO A 36 7.532 -16.261 -9.211 1.00 74.01 H new ATOM 0 HD2 PRO A 36 8.931 -18.489 -9.690 1.00 15.42 H new ATOM 0 HD3 PRO A 36 9.556 -16.946 -10.236 1.00 15.42 H new ATOM 387 N GLN A 37 10.236 -18.389 -5.701 1.00 11.02 N ATOM 388 CA GLN A 37 10.249 -18.982 -4.385 1.00 75.44 C ATOM 389 C GLN A 37 11.666 -19.406 -4.004 1.00 54.15 C ATOM 390 O GLN A 37 11.948 -19.654 -2.852 1.00 41.24 O ATOM 391 CB GLN A 37 9.320 -20.193 -4.346 1.00 44.23 C ATOM 392 CG GLN A 37 7.856 -19.876 -4.600 1.00 23.30 C ATOM 393 CD GLN A 37 6.997 -21.124 -4.652 1.00 4.43 C ATOM 394 OE1 GLN A 37 7.295 -22.124 -4.025 1.00 3.25 O ATOM 395 NE2 GLN A 37 5.919 -21.069 -5.396 1.00 73.33 N ATOM 0 H GLN A 37 10.219 -19.063 -6.466 1.00 11.02 H new ATOM 0 HA GLN A 37 9.900 -18.239 -3.668 1.00 75.44 H new ATOM 0 HB2 GLN A 37 9.656 -20.916 -5.089 1.00 44.23 H new ATOM 0 HB3 GLN A 37 9.410 -20.673 -3.371 1.00 44.23 H new ATOM 0 HG2 GLN A 37 7.488 -19.217 -3.814 1.00 23.30 H new ATOM 0 HG3 GLN A 37 7.762 -19.334 -5.541 1.00 23.30 H new ATOM 0 HE21 GLN A 37 5.697 -20.216 -5.909 1.00 73.33 H new ATOM 0 HE22 GLN A 37 5.303 -21.879 -5.461 1.00 73.33 H new ATOM 404 N GLN A 38 12.556 -19.476 -4.989 1.00 64.24 N ATOM 405 CA GLN A 38 13.890 -19.996 -4.771 1.00 43.21 C ATOM 406 C GLN A 38 14.963 -18.917 -4.613 1.00 71.23 C ATOM 407 O GLN A 38 16.152 -19.191 -4.769 1.00 74.13 O ATOM 408 CB GLN A 38 14.262 -21.014 -5.865 1.00 34.43 C ATOM 409 CG GLN A 38 13.621 -22.407 -5.693 1.00 73.23 C ATOM 410 CD GLN A 38 12.092 -22.436 -5.738 1.00 23.42 C ATOM 411 OE1 GLN A 38 11.447 -21.639 -6.419 1.00 23.51 O ATOM 412 NE2 GLN A 38 11.503 -23.339 -5.003 1.00 11.11 N ATOM 0 H GLN A 38 12.371 -19.177 -5.946 1.00 64.24 H new ATOM 0 HA GLN A 38 13.862 -20.508 -3.809 1.00 43.21 H new ATOM 0 HB2 GLN A 38 13.967 -20.610 -6.834 1.00 34.43 H new ATOM 0 HB3 GLN A 38 15.346 -21.127 -5.884 1.00 34.43 H new ATOM 0 HG2 GLN A 38 14.003 -23.063 -6.475 1.00 73.23 H new ATOM 0 HG3 GLN A 38 13.947 -22.823 -4.740 1.00 73.23 H new ATOM 0 HE21 GLN A 38 12.061 -23.988 -4.448 1.00 11.11 H new ATOM 0 HE22 GLN A 38 10.485 -23.396 -4.984 1.00 11.11 H new ATOM 421 N LEU A 39 14.566 -17.708 -4.283 1.00 14.02 N ATOM 422 CA LEU A 39 15.553 -16.698 -3.976 1.00 15.24 C ATOM 423 C LEU A 39 15.610 -16.558 -2.476 1.00 43.05 C ATOM 424 O LEU A 39 14.657 -16.915 -1.795 1.00 20.41 O ATOM 425 CB LEU A 39 15.325 -15.313 -4.704 1.00 3.44 C ATOM 426 CG LEU A 39 14.148 -14.368 -4.280 1.00 55.23 C ATOM 427 CD1 LEU A 39 14.342 -13.801 -2.878 1.00 1.33 C ATOM 428 CD2 LEU A 39 14.052 -13.207 -5.246 1.00 52.33 C ATOM 0 H LEU A 39 13.594 -17.406 -4.221 1.00 14.02 H new ATOM 0 HA LEU A 39 16.515 -17.027 -4.369 1.00 15.24 H new ATOM 0 HB2 LEU A 39 16.247 -14.742 -4.601 1.00 3.44 H new ATOM 0 HB3 LEU A 39 15.198 -15.526 -5.765 1.00 3.44 H new ATOM 0 HG LEU A 39 13.238 -14.967 -4.292 1.00 55.23 H new ATOM 0 HD11 LEU A 39 13.502 -13.153 -2.628 1.00 1.33 H new ATOM 0 HD12 LEU A 39 14.396 -14.619 -2.159 1.00 1.33 H new ATOM 0 HD13 LEU A 39 15.267 -13.226 -2.843 1.00 1.33 H new ATOM 0 HD21 LEU A 39 13.233 -12.553 -4.948 1.00 52.33 H new ATOM 0 HD22 LEU A 39 14.987 -12.646 -5.235 1.00 52.33 H new ATOM 0 HD23 LEU A 39 13.867 -13.585 -6.252 1.00 52.33 H new ATOM 440 N HIS A 40 16.680 -16.032 -1.967 1.00 24.22 N ATOM 441 CA HIS A 40 16.824 -15.868 -0.557 1.00 33.42 C ATOM 442 C HIS A 40 17.073 -14.385 -0.319 1.00 62.20 C ATOM 443 O HIS A 40 18.185 -13.920 -0.502 1.00 51.42 O ATOM 444 CB HIS A 40 18.021 -16.693 -0.065 1.00 55.12 C ATOM 445 CG HIS A 40 18.046 -18.135 -0.525 1.00 70.32 C ATOM 446 ND1 HIS A 40 18.892 -18.621 -1.507 1.00 3.33 N ATOM 447 CD2 HIS A 40 17.315 -19.200 -0.109 1.00 33.53 C ATOM 448 CE1 HIS A 40 18.650 -19.928 -1.650 1.00 21.52 C ATOM 449 NE2 HIS A 40 17.706 -20.332 -0.826 1.00 22.34 N ATOM 0 H HIS A 40 17.475 -15.706 -2.516 1.00 24.22 H new ATOM 0 HA HIS A 40 15.938 -16.206 -0.019 1.00 33.42 H new ATOM 0 HB2 HIS A 40 18.938 -16.207 -0.398 1.00 55.12 H new ATOM 0 HB3 HIS A 40 18.029 -16.676 1.025 1.00 55.12 H new ATOM 0 HD2 HIS A 40 16.552 -19.176 0.655 1.00 33.53 H new ATOM 0 HE1 HIS A 40 19.163 -20.570 -2.351 1.00 21.52 H new ATOM 0 HE2 HIS A 40 17.336 -21.278 -0.731 1.00 22.34 H new ATOM 457 N GLU A 41 16.019 -13.625 -0.045 1.00 43.30 N ATOM 458 CA GLU A 41 16.150 -12.169 0.079 1.00 53.13 C ATOM 459 C GLU A 41 16.553 -11.690 1.452 1.00 12.41 C ATOM 460 O GLU A 41 16.973 -10.535 1.616 1.00 45.14 O ATOM 461 CB GLU A 41 14.946 -11.412 -0.448 1.00 44.50 C ATOM 462 CG GLU A 41 13.629 -11.668 0.243 1.00 54.23 C ATOM 463 CD GLU A 41 12.499 -10.983 -0.491 1.00 0.22 C ATOM 464 OE1 GLU A 41 12.422 -9.742 -0.470 1.00 2.24 O ATOM 465 OE2 GLU A 41 11.706 -11.684 -1.124 1.00 43.23 O ATOM 0 H GLU A 41 15.074 -13.982 0.095 1.00 43.30 H new ATOM 0 HA GLU A 41 16.990 -11.929 -0.573 1.00 53.13 H new ATOM 0 HB2 GLU A 41 15.161 -10.345 -0.386 1.00 44.50 H new ATOM 0 HB3 GLU A 41 14.828 -11.653 -1.505 1.00 44.50 H new ATOM 0 HG2 GLU A 41 13.440 -12.740 0.292 1.00 54.23 H new ATOM 0 HG3 GLU A 41 13.675 -11.306 1.270 1.00 54.23 H new ATOM 472 N GLU A 42 16.395 -12.537 2.421 1.00 41.23 N ATOM 473 CA GLU A 42 16.807 -12.251 3.783 1.00 42.12 C ATOM 474 C GLU A 42 18.221 -12.774 3.940 1.00 34.22 C ATOM 475 O GLU A 42 18.976 -12.378 4.830 1.00 52.05 O ATOM 476 CB GLU A 42 15.848 -12.914 4.819 1.00 41.32 C ATOM 477 CG GLU A 42 15.819 -14.459 4.832 1.00 41.43 C ATOM 478 CD GLU A 42 15.394 -15.069 3.513 1.00 60.54 C ATOM 479 OE1 GLU A 42 14.207 -15.260 3.305 1.00 55.31 O ATOM 480 OE2 GLU A 42 16.284 -15.299 2.648 1.00 45.51 O ATOM 0 H GLU A 42 15.974 -13.458 2.300 1.00 41.23 H new ATOM 0 HA GLU A 42 16.769 -11.178 3.972 1.00 42.12 H new ATOM 0 HB2 GLU A 42 16.127 -12.568 5.814 1.00 41.32 H new ATOM 0 HB3 GLU A 42 14.837 -12.554 4.629 1.00 41.32 H new ATOM 0 HG2 GLU A 42 16.810 -14.830 5.092 1.00 41.43 H new ATOM 0 HG3 GLU A 42 15.138 -14.795 5.614 1.00 41.43 H new ATOM 487 N SER A 43 18.545 -13.648 3.039 1.00 21.45 N ATOM 488 CA SER A 43 19.797 -14.269 2.938 1.00 32.44 C ATOM 489 C SER A 43 20.628 -13.537 1.903 1.00 55.20 C ATOM 490 O SER A 43 20.126 -12.666 1.187 1.00 41.45 O ATOM 491 CB SER A 43 19.582 -15.665 2.504 1.00 12.12 C ATOM 492 OG SER A 43 18.697 -16.345 3.381 1.00 13.33 O ATOM 0 H SER A 43 17.892 -13.955 2.318 1.00 21.45 H new ATOM 0 HA SER A 43 20.317 -14.249 3.896 1.00 32.44 H new ATOM 0 HB2 SER A 43 19.175 -15.676 1.493 1.00 12.12 H new ATOM 0 HB3 SER A 43 20.537 -16.189 2.469 1.00 12.12 H new ATOM 0 HG SER A 43 17.777 -16.060 3.203 1.00 13.33 H new ATOM 498 N ASN A 44 21.885 -13.870 1.839 1.00 75.15 N ATOM 499 CA ASN A 44 22.797 -13.176 0.964 1.00 2.33 C ATOM 500 C ASN A 44 22.539 -13.504 -0.513 1.00 13.55 C ATOM 501 O ASN A 44 22.550 -14.667 -0.923 1.00 35.03 O ATOM 502 CB ASN A 44 24.256 -13.451 1.359 1.00 75.41 C ATOM 503 CG ASN A 44 25.264 -12.491 0.740 1.00 60.40 C ATOM 504 OD1 ASN A 44 25.051 -11.939 -0.314 1.00 71.21 O ATOM 505 ND2 ASN A 44 26.384 -12.306 1.397 1.00 54.52 N ATOM 0 H ASN A 44 22.307 -14.622 2.384 1.00 75.15 H new ATOM 0 HA ASN A 44 22.615 -12.108 1.084 1.00 2.33 H new ATOM 0 HB2 ASN A 44 24.342 -13.400 2.444 1.00 75.41 H new ATOM 0 HB3 ASN A 44 24.514 -14.469 1.066 1.00 75.41 H new ATOM 0 HD21 ASN A 44 27.100 -11.684 1.020 1.00 54.52 H new ATOM 0 HD22 ASN A 44 26.539 -12.784 2.285 1.00 54.52 H new ATOM 512 N LEU A 45 22.350 -12.456 -1.296 1.00 0.31 N ATOM 513 CA LEU A 45 22.082 -12.565 -2.718 1.00 73.34 C ATOM 514 C LEU A 45 23.352 -12.865 -3.520 1.00 23.34 C ATOM 515 O LEU A 45 23.273 -13.350 -4.638 1.00 1.11 O ATOM 516 CB LEU A 45 21.416 -11.290 -3.244 1.00 72.31 C ATOM 517 CG LEU A 45 20.030 -10.945 -2.682 1.00 53.01 C ATOM 518 CD1 LEU A 45 19.578 -9.596 -3.210 1.00 4.44 C ATOM 519 CD2 LEU A 45 19.012 -12.016 -3.057 1.00 73.33 C ATOM 0 H LEU A 45 22.379 -11.494 -0.957 1.00 0.31 H new ATOM 0 HA LEU A 45 21.399 -13.404 -2.851 1.00 73.34 H new ATOM 0 HB2 LEU A 45 22.082 -10.451 -3.041 1.00 72.31 H new ATOM 0 HB3 LEU A 45 21.331 -11.375 -4.327 1.00 72.31 H new ATOM 0 HG LEU A 45 20.101 -10.902 -1.595 1.00 53.01 H new ATOM 0 HD11 LEU A 45 18.594 -9.359 -2.807 1.00 4.44 H new ATOM 0 HD12 LEU A 45 20.290 -8.829 -2.905 1.00 4.44 H new ATOM 0 HD13 LEU A 45 19.525 -9.630 -4.298 1.00 4.44 H new ATOM 0 HD21 LEU A 45 18.037 -11.750 -2.648 1.00 73.33 H new ATOM 0 HD22 LEU A 45 18.943 -12.088 -4.142 1.00 73.33 H new ATOM 0 HD23 LEU A 45 19.327 -12.976 -2.649 1.00 73.33 H new ATOM 531 N ILE A 46 24.522 -12.612 -2.927 1.00 24.14 N ATOM 532 CA ILE A 46 25.818 -12.877 -3.598 1.00 21.43 C ATOM 533 C ILE A 46 26.068 -14.405 -3.582 1.00 75.30 C ATOM 534 O ILE A 46 26.973 -14.921 -4.219 1.00 22.10 O ATOM 535 CB ILE A 46 27.014 -12.114 -2.887 1.00 2.54 C ATOM 536 CG1 ILE A 46 26.699 -10.622 -2.700 1.00 3.54 C ATOM 537 CG2 ILE A 46 28.321 -12.234 -3.679 1.00 74.13 C ATOM 538 CD1 ILE A 46 26.597 -9.819 -3.979 1.00 31.25 C ATOM 0 H ILE A 46 24.609 -12.225 -1.987 1.00 24.14 H new ATOM 0 HA ILE A 46 25.771 -12.509 -4.623 1.00 21.43 H new ATOM 0 HB ILE A 46 27.136 -12.590 -1.914 1.00 2.54 H new ATOM 0 HG12 ILE A 46 25.758 -10.531 -2.157 1.00 3.54 H new ATOM 0 HG13 ILE A 46 27.473 -10.180 -2.073 1.00 3.54 H new ATOM 0 HG21 ILE A 46 29.113 -11.698 -3.157 1.00 74.13 H new ATOM 0 HG22 ILE A 46 28.595 -13.285 -3.772 1.00 74.13 H new ATOM 0 HG23 ILE A 46 28.186 -11.805 -4.672 1.00 74.13 H new ATOM 0 HD11 ILE A 46 26.372 -8.780 -3.739 1.00 31.25 H new ATOM 0 HD12 ILE A 46 27.543 -9.871 -4.517 1.00 31.25 H new ATOM 0 HD13 ILE A 46 25.802 -10.228 -4.603 1.00 31.25 H new ATOM 550 N GLN A 47 25.218 -15.119 -2.838 1.00 15.44 N ATOM 551 CA GLN A 47 25.272 -16.567 -2.782 1.00 62.30 C ATOM 552 C GLN A 47 24.483 -17.163 -3.947 1.00 74.42 C ATOM 553 O GLN A 47 24.469 -18.374 -4.161 1.00 33.20 O ATOM 554 CB GLN A 47 24.732 -17.091 -1.457 1.00 51.22 C ATOM 555 CG GLN A 47 25.518 -16.628 -0.238 1.00 75.33 C ATOM 556 CD GLN A 47 26.985 -17.049 -0.244 1.00 72.32 C ATOM 557 OE1 GLN A 47 27.294 -18.174 -0.849 1.00 64.41 O flip ATOM 558 NE2 GLN A 47 27.828 -16.359 0.305 1.00 65.41 N flip ATOM 0 H GLN A 47 24.482 -14.706 -2.265 1.00 15.44 H new ATOM 0 HA GLN A 47 26.316 -16.871 -2.861 1.00 62.30 H new ATOM 0 HB2 GLN A 47 23.695 -16.774 -1.349 1.00 51.22 H new ATOM 0 HB3 GLN A 47 24.731 -18.181 -1.483 1.00 51.22 H new ATOM 0 HG2 GLN A 47 25.464 -15.541 -0.176 1.00 75.33 H new ATOM 0 HG3 GLN A 47 25.042 -17.023 0.659 1.00 75.33 H new ATOM 0 HE21 GLN A 47 27.555 -15.491 0.766 1.00 65.41 H new ATOM 0 HE22 GLN A 47 28.806 -16.650 0.303 1.00 65.41 H new ATOM 567 N ALA A 48 23.800 -16.295 -4.654 1.00 32.42 N ATOM 568 CA ALA A 48 23.052 -16.633 -5.837 1.00 63.11 C ATOM 569 C ALA A 48 23.819 -16.059 -7.013 1.00 24.11 C ATOM 570 O ALA A 48 24.899 -15.497 -6.811 1.00 40.12 O ATOM 571 CB ALA A 48 21.642 -16.052 -5.766 1.00 11.11 C ATOM 0 H ALA A 48 23.749 -15.305 -4.413 1.00 32.42 H new ATOM 0 HA ALA A 48 22.942 -17.713 -5.938 1.00 63.11 H new ATOM 0 HB1 ALA A 48 21.093 -16.318 -6.669 1.00 11.11 H new ATOM 0 HB2 ALA A 48 21.126 -16.455 -4.895 1.00 11.11 H new ATOM 0 HB3 ALA A 48 21.699 -14.967 -5.683 1.00 11.11 H new ATOM 577 N GLY A 49 23.312 -16.197 -8.228 1.00 54.13 N ATOM 578 CA GLY A 49 24.050 -15.651 -9.342 1.00 40.32 C ATOM 579 C GLY A 49 23.876 -14.152 -9.426 1.00 51.44 C ATOM 580 O GLY A 49 23.017 -13.653 -10.138 1.00 44.44 O ATOM 0 H GLY A 49 22.433 -16.661 -8.457 1.00 54.13 H new ATOM 0 HA2 GLY A 49 25.108 -15.892 -9.235 1.00 40.32 H new ATOM 0 HA3 GLY A 49 23.710 -16.112 -10.269 1.00 40.32 H new ATOM 584 N LEU A 50 24.710 -13.450 -8.719 1.00 44.52 N ATOM 585 CA LEU A 50 24.693 -12.044 -8.684 1.00 3.13 C ATOM 586 C LEU A 50 26.113 -11.547 -8.800 1.00 71.31 C ATOM 587 O LEU A 50 26.889 -11.578 -7.845 1.00 32.01 O ATOM 588 CB LEU A 50 24.028 -11.560 -7.383 1.00 44.00 C ATOM 589 CG LEU A 50 24.027 -10.057 -7.140 1.00 3.11 C ATOM 590 CD1 LEU A 50 23.240 -9.332 -8.212 1.00 35.10 C ATOM 591 CD2 LEU A 50 23.480 -9.721 -5.770 1.00 1.50 C ATOM 0 H LEU A 50 25.438 -13.866 -8.138 1.00 44.52 H new ATOM 0 HA LEU A 50 24.111 -11.646 -9.515 1.00 3.13 H new ATOM 0 HB2 LEU A 50 22.995 -11.907 -7.378 1.00 44.00 H new ATOM 0 HB3 LEU A 50 24.530 -12.041 -6.544 1.00 44.00 H new ATOM 0 HG LEU A 50 25.063 -9.720 -7.185 1.00 3.11 H new ATOM 0 HD11 LEU A 50 23.256 -8.260 -8.013 1.00 35.10 H new ATOM 0 HD12 LEU A 50 23.688 -9.527 -9.187 1.00 35.10 H new ATOM 0 HD13 LEU A 50 22.209 -9.686 -8.209 1.00 35.10 H new ATOM 0 HD21 LEU A 50 23.493 -8.640 -5.628 1.00 1.50 H new ATOM 0 HD22 LEU A 50 22.456 -10.086 -5.688 1.00 1.50 H new ATOM 0 HD23 LEU A 50 24.096 -10.195 -5.006 1.00 1.50 H new ATOM 603 N ASP A 51 26.442 -11.184 -9.989 1.00 65.44 N ATOM 604 CA ASP A 51 27.730 -10.648 -10.337 1.00 11.33 C ATOM 605 C ASP A 51 27.689 -9.134 -10.194 1.00 31.54 C ATOM 606 O ASP A 51 26.713 -8.576 -9.668 1.00 22.25 O ATOM 607 CB ASP A 51 28.074 -11.045 -11.778 1.00 4.20 C ATOM 608 CG ASP A 51 26.944 -10.732 -12.734 1.00 51.05 C ATOM 609 OD1 ASP A 51 26.670 -9.560 -12.986 1.00 41.33 O ATOM 610 OD2 ASP A 51 26.264 -11.670 -13.184 1.00 2.40 O ATOM 0 H ASP A 51 25.805 -11.251 -10.783 1.00 65.44 H new ATOM 0 HA ASP A 51 28.497 -11.047 -9.674 1.00 11.33 H new ATOM 0 HB2 ASP A 51 28.974 -10.518 -12.095 1.00 4.20 H new ATOM 0 HB3 ASP A 51 28.298 -12.111 -11.817 1.00 4.20 H new HETATM 615 N 4HJ A 52 28.673 -8.452 -10.719 1.00 72.32 N HETATM 616 CA 4HJ A 52 28.743 -7.028 -10.495 1.00 73.21 C HETATM 617 CAA 4HJ A 52 29.692 -9.189 -7.099 1.00 13.10 C HETATM 618 C 4HJ A 52 28.010 -6.304 -11.604 1.00 61.15 C HETATM 619 O 4HJ A 52 27.748 -5.104 -11.513 1.00 24.24 O HETATM 620 CB 4HJ A 52 30.173 -6.558 -10.400 1.00 30.14 C HETATM 621 OG 4HJ A 52 30.872 -6.879 -11.596 1.00 25.03 O HETATM 622 CZ1 4HJ A 52 30.193 -10.328 -6.488 1.00 41.20 C HETATM 623 CZ2 4HJ A 52 30.491 -8.055 -7.252 1.00 34.43 C HETATM 624 OZ 4HJ A 52 31.972 -11.476 -5.388 1.00 13.11 O HETATM 625 CJ 4HJ A 52 32.143 -3.810 -11.032 1.00 10.14 C HETATM 626 CK 4HJ A 52 32.706 -2.934 -9.866 1.00 74.00 C HETATM 627 CL1 4HJ A 52 32.134 -3.493 -8.567 1.00 13.11 C HETATM 628 CL2 4HJ A 52 32.195 -1.523 -10.052 1.00 51.03 C HETATM 629 CM 4HJ A 52 34.849 -2.965 -11.312 1.00 65.55 C HETATM 630 OM 4HJ A 52 34.610 -4.238 -9.286 1.00 31.10 O HETATM 631 NN 4HJ A 52 35.365 -4.108 -11.759 1.00 11.24 N HETATM 632 ON 4HJ A 52 34.800 -1.946 -11.993 1.00 70.54 O HETATM 633 P 4HJ A 52 32.271 -6.184 -11.860 1.00 30.00 P HETATM 634 O1P 4HJ A 52 32.236 -5.524 -13.166 1.00 55.52 O HETATM 635 O2P 4HJ A 52 33.315 -7.221 -11.834 1.00 14.44 O HETATM 636 O3P 4HJ A 52 32.527 -5.194 -10.792 1.00 3.21 O HETATM 637 CX 4HJ A 52 32.355 -9.226 -6.196 1.00 14.34 C HETATM 638 CL3 4HJ A 52 34.273 -2.998 -9.862 1.00 42.41 C HETATM 639 CO 4HJ A 52 36.788 -4.513 -11.633 1.00 54.50 C HETATM 640 CP 4HJ A 52 36.924 -6.018 -11.370 1.00 54.01 C HETATM 641 CQ 4HJ A 52 36.906 -6.352 -9.884 1.00 73.41 C HETATM 642 CS 4HJ A 52 34.839 -7.448 -9.273 1.00 24.54 C HETATM 643 CT 4HJ A 52 34.383 -8.590 -8.406 1.00 14.22 C HETATM 644 CV 4HJ A 52 33.809 -9.282 -5.712 1.00 33.15 C HETATM 645 CY1 4HJ A 52 31.508 -10.353 -6.019 1.00 74.11 C HETATM 646 CY2 4HJ A 52 31.814 -8.059 -6.817 1.00 75.23 C HETATM 647 NR 4HJ A 52 36.270 -7.452 -9.555 1.00 35.34 N HETATM 648 OR 4HJ A 52 37.427 -5.611 -9.059 1.00 4.33 O HETATM 649 OW 4HJ A 52 34.105 -9.838 -4.648 1.00 63.35 O HETATM 650 SU 4HJ A 52 35.083 -8.528 -6.724 1.00 51.35 S ATOM 680 N ILE A 53 27.729 -6.992 -12.667 1.00 1.53 N ATOM 681 CA ILE A 53 27.081 -6.366 -13.731 1.00 31.11 C ATOM 682 C ILE A 53 25.622 -6.279 -13.392 1.00 61.43 C ATOM 683 O ILE A 53 24.995 -5.275 -13.651 1.00 30.35 O ATOM 684 CB ILE A 53 27.384 -7.040 -15.104 1.00 40.55 C ATOM 685 CG1 ILE A 53 27.665 -5.984 -16.161 1.00 51.42 C ATOM 686 CG2 ILE A 53 26.288 -8.001 -15.593 1.00 42.41 C ATOM 687 CD1 ILE A 53 26.540 -4.989 -16.370 1.00 0.41 C ATOM 0 H ILE A 53 27.944 -7.980 -12.802 1.00 1.53 H new ATOM 0 HA ILE A 53 27.466 -5.355 -13.864 1.00 31.11 H new ATOM 0 HB ILE A 53 28.269 -7.655 -14.941 1.00 40.55 H new ATOM 0 HG12 ILE A 53 28.567 -5.440 -15.882 1.00 51.42 H new ATOM 0 HG13 ILE A 53 27.873 -6.482 -17.108 1.00 51.42 H new ATOM 0 HG21 ILE A 53 26.579 -8.426 -16.554 1.00 42.41 H new ATOM 0 HG22 ILE A 53 26.157 -8.803 -14.867 1.00 42.41 H new ATOM 0 HG23 ILE A 53 25.350 -7.457 -15.706 1.00 42.41 H new ATOM 0 HD11 ILE A 53 26.826 -4.273 -17.141 1.00 0.41 H new ATOM 0 HD12 ILE A 53 25.640 -5.518 -16.682 1.00 0.41 H new ATOM 0 HD13 ILE A 53 26.345 -4.460 -15.437 1.00 0.41 H new ATOM 699 N ARG A 54 25.105 -7.319 -12.745 1.00 25.43 N ATOM 700 CA ARG A 54 23.762 -7.281 -12.208 1.00 52.41 C ATOM 701 C ARG A 54 23.684 -6.209 -11.178 1.00 11.10 C ATOM 702 O ARG A 54 22.804 -5.382 -11.228 1.00 73.20 O ATOM 703 CB ARG A 54 23.336 -8.617 -11.608 1.00 70.41 C ATOM 704 CG ARG A 54 22.676 -9.552 -12.592 1.00 71.25 C ATOM 705 CD ARG A 54 23.595 -9.953 -13.714 1.00 53.00 C ATOM 706 NE ARG A 54 22.877 -10.729 -14.706 1.00 74.44 N ATOM 707 CZ ARG A 54 23.267 -11.884 -15.221 1.00 61.11 C ATOM 708 NH1 ARG A 54 24.430 -12.432 -14.864 1.00 75.22 N ATOM 709 NH2 ARG A 54 22.481 -12.496 -16.102 1.00 14.21 N ATOM 0 H ARG A 54 25.601 -8.195 -12.583 1.00 25.43 H new ATOM 0 HA ARG A 54 23.076 -7.072 -13.029 1.00 52.41 H new ATOM 0 HB2 ARG A 54 24.212 -9.110 -11.187 1.00 70.41 H new ATOM 0 HB3 ARG A 54 22.648 -8.430 -10.783 1.00 70.41 H new ATOM 0 HG2 ARG A 54 22.337 -10.446 -12.068 1.00 71.25 H new ATOM 0 HG3 ARG A 54 21.790 -9.071 -13.007 1.00 71.25 H new ATOM 0 HD2 ARG A 54 24.021 -9.064 -14.178 1.00 53.00 H new ATOM 0 HD3 ARG A 54 24.427 -10.537 -13.320 1.00 53.00 H new ATOM 0 HE ARG A 54 21.990 -10.350 -15.037 1.00 74.44 H new ATOM 0 HH11 ARG A 54 25.030 -11.960 -14.187 1.00 75.22 H new ATOM 0 HH12 ARG A 54 24.719 -13.323 -15.268 1.00 75.22 H new ATOM 0 HH21 ARG A 54 21.592 -12.075 -16.372 1.00 14.21 H new ATOM 0 HH22 ARG A 54 22.767 -13.387 -16.508 1.00 14.21 H new ATOM 723 N LEU A 55 24.650 -6.183 -10.287 1.00 34.24 N ATOM 724 CA LEU A 55 24.698 -5.175 -9.253 1.00 43.12 C ATOM 725 C LEU A 55 24.725 -3.766 -9.813 1.00 31.51 C ATOM 726 O LEU A 55 23.870 -2.965 -9.458 1.00 12.04 O ATOM 727 CB LEU A 55 25.829 -5.439 -8.283 1.00 34.32 C ATOM 728 CG LEU A 55 25.555 -6.561 -7.291 1.00 34.52 C ATOM 729 CD1 LEU A 55 26.824 -7.023 -6.654 1.00 13.20 C ATOM 730 CD2 LEU A 55 24.600 -6.075 -6.215 1.00 74.13 C ATOM 0 H LEU A 55 25.418 -6.854 -10.259 1.00 34.24 H new ATOM 0 HA LEU A 55 23.768 -5.247 -8.689 1.00 43.12 H new ATOM 0 HB2 LEU A 55 26.728 -5.682 -8.849 1.00 34.32 H new ATOM 0 HB3 LEU A 55 26.038 -4.524 -7.730 1.00 34.32 H new ATOM 0 HG LEU A 55 25.107 -7.395 -7.831 1.00 34.52 H new ATOM 0 HD11 LEU A 55 26.606 -7.825 -5.949 1.00 13.20 H new ATOM 0 HD12 LEU A 55 27.504 -7.391 -7.422 1.00 13.20 H new ATOM 0 HD13 LEU A 55 27.290 -6.191 -6.125 1.00 13.20 H new ATOM 0 HD21 LEU A 55 24.407 -6.882 -5.508 1.00 74.13 H new ATOM 0 HD22 LEU A 55 25.044 -5.230 -5.689 1.00 74.13 H new ATOM 0 HD23 LEU A 55 23.662 -5.764 -6.675 1.00 74.13 H new ATOM 742 N MET A 56 25.646 -3.469 -10.730 1.00 4.11 N ATOM 743 CA MET A 56 25.700 -2.119 -11.307 1.00 0.31 C ATOM 744 C MET A 56 24.430 -1.804 -12.103 1.00 42.54 C ATOM 745 O MET A 56 23.956 -0.664 -12.111 1.00 51.21 O ATOM 746 CB MET A 56 26.969 -1.881 -12.138 1.00 11.11 C ATOM 747 CG MET A 56 28.254 -1.462 -11.363 1.00 12.41 C ATOM 748 SD MET A 56 28.895 -2.635 -10.117 1.00 63.32 S ATOM 749 CE MET A 56 27.855 -2.357 -8.691 1.00 20.25 C ATOM 0 H MET A 56 26.347 -4.120 -11.083 1.00 4.11 H new ATOM 0 HA MET A 56 25.749 -1.421 -10.471 1.00 0.31 H new ATOM 0 HB2 MET A 56 27.189 -2.795 -12.690 1.00 11.11 H new ATOM 0 HB3 MET A 56 26.751 -1.108 -12.875 1.00 11.11 H new ATOM 0 HG2 MET A 56 29.043 -1.278 -12.092 1.00 12.41 H new ATOM 0 HG3 MET A 56 28.054 -0.514 -10.864 1.00 12.41 H new ATOM 0 HE1 MET A 56 28.459 -1.972 -7.870 1.00 20.25 H new ATOM 0 HE2 MET A 56 27.079 -1.633 -8.942 1.00 20.25 H new ATOM 0 HE3 MET A 56 27.391 -3.296 -8.390 1.00 20.25 H new ATOM 759 N ARG A 57 23.874 -2.836 -12.724 1.00 73.11 N ATOM 760 CA ARG A 57 22.605 -2.783 -13.440 1.00 44.51 C ATOM 761 C ARG A 57 21.481 -2.334 -12.530 1.00 24.33 C ATOM 762 O ARG A 57 20.666 -1.514 -12.921 1.00 52.03 O ATOM 763 CB ARG A 57 22.345 -4.152 -13.989 1.00 0.21 C ATOM 764 CG ARG A 57 21.025 -4.408 -14.616 1.00 55.05 C ATOM 765 CD ARG A 57 21.227 -5.551 -15.548 1.00 55.55 C ATOM 766 NE ARG A 57 20.017 -6.316 -15.840 1.00 3.43 N ATOM 767 CZ ARG A 57 19.393 -6.401 -17.008 1.00 31.41 C ATOM 768 NH1 ARG A 57 19.709 -5.580 -18.023 1.00 53.33 N ATOM 769 NH2 ARG A 57 18.444 -7.312 -17.148 1.00 20.54 N ATOM 0 H ARG A 57 24.306 -3.760 -12.744 1.00 73.11 H new ATOM 0 HA ARG A 57 22.656 -2.054 -14.249 1.00 44.51 H new ATOM 0 HB2 ARG A 57 23.115 -4.367 -14.730 1.00 0.21 H new ATOM 0 HB3 ARG A 57 22.475 -4.868 -13.178 1.00 0.21 H new ATOM 0 HG2 ARG A 57 20.275 -4.647 -13.862 1.00 55.05 H new ATOM 0 HG3 ARG A 57 20.670 -3.527 -15.151 1.00 55.05 H new ATOM 0 HD2 ARG A 57 21.637 -5.172 -16.484 1.00 55.55 H new ATOM 0 HD3 ARG A 57 21.973 -6.223 -15.123 1.00 55.55 H new ATOM 0 HE ARG A 57 19.609 -6.839 -15.065 1.00 3.43 H new ATOM 0 HH11 ARG A 57 20.439 -4.878 -17.903 1.00 53.33 H new ATOM 0 HH12 ARG A 57 19.219 -5.659 -18.914 1.00 53.33 H new ATOM 0 HH21 ARG A 57 18.208 -7.927 -16.369 1.00 20.54 H new ATOM 0 HH22 ARG A 57 17.948 -7.399 -18.035 1.00 20.54 H new ATOM 783 N TRP A 58 21.471 -2.855 -11.309 1.00 61.13 N ATOM 784 CA TRP A 58 20.486 -2.471 -10.308 1.00 21.22 C ATOM 785 C TRP A 58 20.566 -1.010 -9.968 1.00 22.22 C ATOM 786 O TRP A 58 19.556 -0.303 -10.087 1.00 35.34 O ATOM 787 CB TRP A 58 20.495 -3.420 -9.094 1.00 61.10 C ATOM 788 CG TRP A 58 20.119 -4.810 -9.533 1.00 32.45 C ATOM 789 CD1 TRP A 58 20.781 -5.966 -9.267 1.00 11.33 C ATOM 790 CD2 TRP A 58 19.001 -5.174 -10.383 1.00 64.52 C ATOM 791 NE1 TRP A 58 20.187 -7.015 -9.928 1.00 34.21 N ATOM 792 CE2 TRP A 58 19.084 -6.551 -10.607 1.00 63.22 C ATOM 793 CE3 TRP A 58 17.942 -4.460 -10.980 1.00 63.54 C ATOM 794 CZ2 TRP A 58 18.167 -7.233 -11.406 1.00 14.32 C ATOM 795 CZ3 TRP A 58 17.032 -5.143 -11.756 1.00 15.11 C ATOM 796 CH2 TRP A 58 17.151 -6.512 -11.966 1.00 14.13 C ATOM 0 H TRP A 58 22.142 -3.552 -10.987 1.00 61.13 H new ATOM 0 HA TRP A 58 19.496 -2.596 -10.747 1.00 21.22 H new ATOM 0 HB2 TRP A 58 21.483 -3.428 -8.634 1.00 61.10 H new ATOM 0 HB3 TRP A 58 19.795 -3.065 -8.338 1.00 61.10 H new ATOM 0 HD1 TRP A 58 21.648 -6.049 -8.629 1.00 11.33 H new ATOM 0 HE1 TRP A 58 20.512 -7.982 -9.917 1.00 34.21 H new ATOM 0 HE3 TRP A 58 17.846 -3.395 -10.831 1.00 63.54 H new ATOM 0 HZ2 TRP A 58 18.257 -8.296 -11.576 1.00 14.32 H new ATOM 0 HZ3 TRP A 58 16.212 -4.606 -12.209 1.00 15.11 H new ATOM 0 HH2 TRP A 58 16.424 -7.017 -12.585 1.00 14.13 H new ATOM 807 N LEU A 59 21.763 -0.518 -9.644 1.00 25.31 N ATOM 808 CA LEU A 59 21.957 0.924 -9.340 1.00 10.01 C ATOM 809 C LEU A 59 21.473 1.767 -10.480 1.00 0.51 C ATOM 810 O LEU A 59 20.768 2.752 -10.293 1.00 32.33 O ATOM 811 CB LEU A 59 23.435 1.292 -9.093 1.00 10.23 C ATOM 812 CG LEU A 59 24.076 0.876 -7.777 1.00 1.02 C ATOM 813 CD1 LEU A 59 23.341 1.467 -6.600 1.00 41.44 C ATOM 814 CD2 LEU A 59 24.162 -0.612 -7.667 1.00 12.14 C ATOM 0 H LEU A 59 22.612 -1.080 -9.582 1.00 25.31 H new ATOM 0 HA LEU A 59 21.387 1.115 -8.430 1.00 10.01 H new ATOM 0 HB2 LEU A 59 24.024 0.858 -9.901 1.00 10.23 H new ATOM 0 HB3 LEU A 59 23.526 2.375 -9.178 1.00 10.23 H new ATOM 0 HG LEU A 59 25.092 1.270 -7.764 1.00 1.02 H new ATOM 0 HD11 LEU A 59 23.823 1.152 -5.675 1.00 41.44 H new ATOM 0 HD12 LEU A 59 23.361 2.555 -6.667 1.00 41.44 H new ATOM 0 HD13 LEU A 59 22.307 1.122 -6.606 1.00 41.44 H new ATOM 0 HD21 LEU A 59 24.624 -0.881 -6.717 1.00 12.14 H new ATOM 0 HD22 LEU A 59 23.160 -1.039 -7.717 1.00 12.14 H new ATOM 0 HD23 LEU A 59 24.764 -1.003 -8.487 1.00 12.14 H new ATOM 826 N HIS A 60 21.844 1.345 -11.650 1.00 15.45 N ATOM 827 CA HIS A 60 21.534 2.006 -12.879 1.00 51.14 C ATOM 828 C HIS A 60 20.017 1.961 -13.194 1.00 13.12 C ATOM 829 O HIS A 60 19.492 2.849 -13.877 1.00 62.44 O ATOM 830 CB HIS A 60 22.375 1.338 -13.986 1.00 45.35 C ATOM 831 CG HIS A 60 22.128 1.835 -15.388 1.00 30.24 C ATOM 832 ND1 HIS A 60 22.842 2.847 -15.997 1.00 63.44 N ATOM 833 CD2 HIS A 60 21.192 1.449 -16.290 1.00 43.24 C ATOM 834 CE1 HIS A 60 22.323 3.046 -17.213 1.00 44.01 C ATOM 835 NE2 HIS A 60 21.309 2.220 -17.439 1.00 3.33 N ATOM 0 H HIS A 60 22.394 0.496 -11.779 1.00 15.45 H new ATOM 0 HA HIS A 60 21.782 3.065 -12.809 1.00 51.14 H new ATOM 0 HB2 HIS A 60 23.430 1.481 -13.751 1.00 45.35 H new ATOM 0 HB3 HIS A 60 22.185 0.265 -13.962 1.00 45.35 H new ATOM 0 HD2 HIS A 60 20.467 0.663 -16.138 1.00 43.24 H new ATOM 0 HE1 HIS A 60 22.681 3.781 -17.918 1.00 44.01 H new ATOM 0 HE2 HIS A 60 20.736 2.163 -18.281 1.00 3.33 H new ATOM 843 N TRP A 61 19.340 0.960 -12.696 1.00 10.11 N ATOM 844 CA TRP A 61 17.928 0.739 -12.966 1.00 23.21 C ATOM 845 C TRP A 61 17.041 1.659 -12.118 1.00 45.11 C ATOM 846 O TRP A 61 16.346 2.514 -12.665 1.00 43.34 O ATOM 847 CB TRP A 61 17.611 -0.740 -12.728 1.00 42.22 C ATOM 848 CG TRP A 61 16.187 -1.129 -12.970 1.00 61.33 C ATOM 849 CD1 TRP A 61 15.513 -1.111 -14.155 1.00 43.43 C ATOM 850 CD2 TRP A 61 15.274 -1.628 -11.998 1.00 64.20 C ATOM 851 NE1 TRP A 61 14.225 -1.546 -13.967 1.00 22.23 N ATOM 852 CE2 TRP A 61 14.057 -1.873 -12.648 1.00 63.15 C ATOM 853 CE3 TRP A 61 15.372 -1.882 -10.637 1.00 71.12 C ATOM 854 CZ2 TRP A 61 12.944 -2.362 -11.975 1.00 12.14 C ATOM 855 CZ3 TRP A 61 14.274 -2.366 -9.971 1.00 52.14 C ATOM 856 CH2 TRP A 61 13.076 -2.602 -10.637 1.00 20.23 C ATOM 0 H TRP A 61 19.753 0.259 -12.081 1.00 10.11 H new ATOM 0 HA TRP A 61 17.712 0.988 -14.005 1.00 23.21 H new ATOM 0 HB2 TRP A 61 18.251 -1.342 -13.374 1.00 42.22 H new ATOM 0 HB3 TRP A 61 17.870 -0.991 -11.699 1.00 42.22 H new ATOM 0 HD1 TRP A 61 15.931 -0.800 -15.101 1.00 43.43 H new ATOM 0 HE1 TRP A 61 13.510 -1.614 -14.691 1.00 22.23 H new ATOM 0 HE3 TRP A 61 16.298 -1.702 -10.110 1.00 71.12 H new ATOM 0 HZ2 TRP A 61 12.012 -2.545 -12.489 1.00 12.14 H new ATOM 0 HZ3 TRP A 61 14.341 -2.567 -8.912 1.00 52.14 H new ATOM 0 HH2 TRP A 61 12.231 -2.984 -10.083 1.00 20.23 H new ATOM 867 N PHE A 62 17.114 1.534 -10.798 1.00 71.42 N ATOM 868 CA PHE A 62 16.332 2.398 -9.892 1.00 64.11 C ATOM 869 C PHE A 62 16.726 3.854 -9.975 1.00 11.05 C ATOM 870 O PHE A 62 15.975 4.732 -9.562 1.00 30.22 O ATOM 871 CB PHE A 62 16.155 1.883 -8.439 1.00 35.22 C ATOM 872 CG PHE A 62 17.158 0.899 -7.972 1.00 23.24 C ATOM 873 CD1 PHE A 62 18.390 1.289 -7.486 1.00 72.43 C ATOM 874 CD2 PHE A 62 16.854 -0.440 -8.034 1.00 74.20 C ATOM 875 CE1 PHE A 62 19.304 0.332 -7.086 1.00 12.20 C ATOM 876 CE2 PHE A 62 17.742 -1.388 -7.635 1.00 5.13 C ATOM 877 CZ PHE A 62 18.967 -1.013 -7.167 1.00 11.31 C ATOM 0 H PHE A 62 17.701 0.849 -10.323 1.00 71.42 H new ATOM 0 HA PHE A 62 15.321 2.328 -10.292 1.00 64.11 H new ATOM 0 HB2 PHE A 62 16.175 2.740 -7.766 1.00 35.22 H new ATOM 0 HB3 PHE A 62 15.166 1.433 -8.352 1.00 35.22 H new ATOM 0 HD1 PHE A 62 18.639 2.338 -7.419 1.00 72.43 H new ATOM 0 HD2 PHE A 62 15.888 -0.745 -8.408 1.00 74.20 H new ATOM 0 HE1 PHE A 62 20.273 0.628 -6.713 1.00 12.20 H new ATOM 0 HE2 PHE A 62 17.479 -2.434 -7.688 1.00 5.13 H new ATOM 0 HZ PHE A 62 19.678 -1.765 -6.858 1.00 11.31 H new ATOM 887 N ARG A 63 17.942 4.095 -10.460 1.00 41.21 N ATOM 888 CA ARG A 63 18.494 5.444 -10.667 1.00 53.44 C ATOM 889 C ARG A 63 17.472 6.367 -11.374 1.00 45.34 C ATOM 890 O ARG A 63 17.425 7.557 -11.096 1.00 74.42 O ATOM 891 CB ARG A 63 19.739 5.366 -11.557 1.00 43.30 C ATOM 892 CG ARG A 63 20.884 6.266 -11.129 1.00 12.21 C ATOM 893 CD ARG A 63 21.440 5.776 -9.810 1.00 73.22 C ATOM 894 NE ARG A 63 22.610 6.519 -9.339 1.00 5.21 N ATOM 895 CZ ARG A 63 23.337 6.136 -8.283 1.00 33.23 C ATOM 896 NH1 ARG A 63 23.037 5.002 -7.652 1.00 43.30 N ATOM 897 NH2 ARG A 63 24.369 6.867 -7.862 1.00 21.52 N ATOM 0 H ARG A 63 18.587 3.351 -10.726 1.00 41.21 H new ATOM 0 HA ARG A 63 18.738 5.850 -9.685 1.00 53.44 H new ATOM 0 HB2 ARG A 63 20.092 4.335 -11.574 1.00 43.30 H new ATOM 0 HB3 ARG A 63 19.456 5.623 -12.578 1.00 43.30 H new ATOM 0 HG2 ARG A 63 21.666 6.265 -11.889 1.00 12.21 H new ATOM 0 HG3 ARG A 63 20.536 7.294 -11.030 1.00 12.21 H new ATOM 0 HD2 ARG A 63 20.657 5.836 -9.054 1.00 73.22 H new ATOM 0 HD3 ARG A 63 21.707 4.724 -9.910 1.00 73.22 H new ATOM 0 HE ARG A 63 22.883 7.366 -9.838 1.00 5.21 H new ATOM 0 HH11 ARG A 63 22.256 4.430 -7.974 1.00 43.30 H new ATOM 0 HH12 ARG A 63 23.588 4.705 -6.846 1.00 43.30 H new ATOM 0 HH21 ARG A 63 24.613 7.731 -8.346 1.00 21.52 H new ATOM 0 HH22 ARG A 63 24.914 6.563 -7.055 1.00 21.52 H new ATOM 911 N LYS A 64 16.646 5.783 -12.270 1.00 15.34 N ATOM 912 CA LYS A 64 15.628 6.544 -13.023 1.00 20.32 C ATOM 913 C LYS A 64 14.572 7.147 -12.100 1.00 64.54 C ATOM 914 O LYS A 64 14.011 8.193 -12.390 1.00 64.41 O ATOM 915 CB LYS A 64 14.913 5.686 -14.099 1.00 61.44 C ATOM 916 CG LYS A 64 15.710 5.349 -15.372 1.00 55.34 C ATOM 917 CD LYS A 64 16.818 4.349 -15.161 1.00 63.23 C ATOM 918 CE LYS A 64 17.534 4.063 -16.473 1.00 44.33 C ATOM 919 NZ LYS A 64 18.496 2.954 -16.345 1.00 32.05 N ATOM 0 H LYS A 64 16.666 4.787 -12.488 1.00 15.34 H new ATOM 0 HA LYS A 64 16.178 7.342 -13.522 1.00 20.32 H new ATOM 0 HB2 LYS A 64 14.605 4.749 -13.635 1.00 61.44 H new ATOM 0 HB3 LYS A 64 14.004 6.207 -14.398 1.00 61.44 H new ATOM 0 HG2 LYS A 64 15.024 4.961 -16.125 1.00 55.34 H new ATOM 0 HG3 LYS A 64 16.137 6.268 -15.774 1.00 55.34 H new ATOM 0 HD2 LYS A 64 17.528 4.733 -14.429 1.00 63.23 H new ATOM 0 HD3 LYS A 64 16.409 3.424 -14.754 1.00 63.23 H new ATOM 0 HE2 LYS A 64 16.800 3.820 -17.241 1.00 44.33 H new ATOM 0 HE3 LYS A 64 18.057 4.960 -16.804 1.00 44.33 H new ATOM 0 HZ1 LYS A 64 19.322 3.140 -16.949 1.00 32.05 H new ATOM 0 HZ2 LYS A 64 18.803 2.873 -15.355 1.00 32.05 H new ATOM 0 HZ3 LYS A 64 18.043 2.066 -16.641 1.00 32.05 H new ATOM 933 N ASN A 65 14.331 6.494 -10.979 1.00 64.42 N ATOM 934 CA ASN A 65 13.314 6.938 -10.029 1.00 34.44 C ATOM 935 C ASN A 65 13.931 7.895 -9.019 1.00 33.14 C ATOM 936 O ASN A 65 13.289 8.305 -8.057 1.00 44.13 O ATOM 937 CB ASN A 65 12.659 5.746 -9.282 1.00 4.13 C ATOM 938 CG ASN A 65 11.919 4.741 -10.171 1.00 52.31 C ATOM 939 OD1 ASN A 65 12.265 4.527 -11.329 1.00 40.32 O ATOM 940 ND2 ASN A 65 10.910 4.100 -9.625 1.00 4.22 N ATOM 0 H ASN A 65 14.826 5.648 -10.698 1.00 64.42 H new ATOM 0 HA ASN A 65 12.535 7.447 -10.596 1.00 34.44 H new ATOM 0 HB2 ASN A 65 13.434 5.215 -8.730 1.00 4.13 H new ATOM 0 HB3 ASN A 65 11.958 6.141 -8.547 1.00 4.13 H new ATOM 0 HD21 ASN A 65 10.394 3.406 -10.166 1.00 4.22 H new ATOM 0 HD22 ASN A 65 10.643 4.297 -8.660 1.00 4.22 H new ATOM 947 N GLY A 66 15.193 8.236 -9.237 1.00 1.11 N ATOM 948 CA GLY A 66 15.868 9.177 -8.380 1.00 2.01 C ATOM 949 C GLY A 66 16.676 8.520 -7.283 1.00 44.14 C ATOM 950 O GLY A 66 17.215 9.211 -6.411 1.00 1.13 O ATOM 0 H GLY A 66 15.762 7.871 -10.001 1.00 1.11 H new ATOM 0 HA2 GLY A 66 16.528 9.798 -8.985 1.00 2.01 H new ATOM 0 HA3 GLY A 66 15.130 9.841 -7.929 1.00 2.01 H new ATOM 954 N TYR A 67 16.784 7.198 -7.320 1.00 54.13 N ATOM 955 CA TYR A 67 17.530 6.467 -6.300 1.00 51.51 C ATOM 956 C TYR A 67 19.023 6.701 -6.394 1.00 11.32 C ATOM 957 O TYR A 67 19.713 6.159 -7.259 1.00 13.15 O ATOM 958 CB TYR A 67 17.205 4.979 -6.300 1.00 2.00 C ATOM 959 CG TYR A 67 15.813 4.680 -5.818 1.00 72.51 C ATOM 960 CD1 TYR A 67 15.536 4.634 -4.473 1.00 5.51 C ATOM 961 CD2 TYR A 67 14.780 4.449 -6.702 1.00 33.21 C ATOM 962 CE1 TYR A 67 14.273 4.367 -4.024 1.00 35.15 C ATOM 963 CE2 TYR A 67 13.507 4.177 -6.257 1.00 53.41 C ATOM 964 CZ TYR A 67 13.261 4.138 -4.913 1.00 54.50 C ATOM 965 OH TYR A 67 11.995 3.873 -4.452 1.00 72.44 O ATOM 0 H TYR A 67 16.367 6.611 -8.042 1.00 54.13 H new ATOM 0 HA TYR A 67 17.201 6.872 -5.343 1.00 51.51 H new ATOM 0 HB2 TYR A 67 17.326 4.587 -7.310 1.00 2.00 H new ATOM 0 HB3 TYR A 67 17.922 4.456 -5.667 1.00 2.00 H new ATOM 0 HD1 TYR A 67 16.328 4.811 -3.760 1.00 5.51 H new ATOM 0 HD2 TYR A 67 14.974 4.482 -7.764 1.00 33.21 H new ATOM 0 HE1 TYR A 67 14.074 4.337 -2.963 1.00 35.15 H new ATOM 0 HE2 TYR A 67 12.710 3.996 -6.963 1.00 53.41 H new ATOM 0 HH TYR A 67 11.630 3.097 -4.926 1.00 72.44 H new ATOM 975 N ARG A 68 19.504 7.525 -5.510 1.00 53.32 N ATOM 976 CA ARG A 68 20.895 7.884 -5.450 1.00 52.14 C ATOM 977 C ARG A 68 21.577 7.048 -4.395 1.00 73.32 C ATOM 978 O ARG A 68 21.605 7.419 -3.238 1.00 11.25 O ATOM 979 CB ARG A 68 21.032 9.360 -5.098 1.00 75.13 C ATOM 980 CG ARG A 68 20.278 10.283 -6.040 1.00 23.14 C ATOM 981 CD ARG A 68 20.360 11.734 -5.603 1.00 22.12 C ATOM 982 NE ARG A 68 19.538 12.605 -6.467 1.00 61.21 N ATOM 983 CZ ARG A 68 19.543 13.952 -6.449 1.00 53.13 C ATOM 984 NH1 ARG A 68 20.342 14.612 -5.603 1.00 34.31 N ATOM 985 NH2 ARG A 68 18.740 14.632 -7.279 1.00 5.50 N ATOM 0 H ARG A 68 18.932 7.976 -4.796 1.00 53.32 H new ATOM 0 HA ARG A 68 21.359 7.704 -6.420 1.00 52.14 H new ATOM 0 HB2 ARG A 68 20.670 9.518 -4.082 1.00 75.13 H new ATOM 0 HB3 ARG A 68 22.088 9.630 -5.106 1.00 75.13 H new ATOM 0 HG2 ARG A 68 20.685 10.184 -7.046 1.00 23.14 H new ATOM 0 HG3 ARG A 68 19.233 9.977 -6.087 1.00 23.14 H new ATOM 0 HD2 ARG A 68 20.025 11.824 -4.570 1.00 22.12 H new ATOM 0 HD3 ARG A 68 21.398 12.066 -5.632 1.00 22.12 H new ATOM 0 HE ARG A 68 18.914 12.149 -7.133 1.00 61.21 H new ATOM 0 HH11 ARG A 68 20.951 14.095 -4.968 1.00 34.31 H new ATOM 0 HH12 ARG A 68 20.343 15.632 -5.593 1.00 34.31 H new ATOM 0 HH21 ARG A 68 18.128 14.130 -7.922 1.00 5.50 H new ATOM 0 HH22 ARG A 68 18.741 15.652 -7.268 1.00 5.50 H new ATOM 999 N LEU A 69 22.047 5.902 -4.792 1.00 31.11 N ATOM 1000 CA LEU A 69 22.700 4.980 -3.872 1.00 30.51 C ATOM 1001 C LEU A 69 24.136 4.818 -4.267 1.00 32.24 C ATOM 1002 O LEU A 69 24.527 5.168 -5.408 1.00 71.24 O ATOM 1003 CB LEU A 69 21.996 3.606 -3.904 1.00 13.34 C ATOM 1004 CG LEU A 69 20.462 3.603 -3.738 1.00 50.20 C ATOM 1005 CD1 LEU A 69 19.914 2.179 -3.762 1.00 51.01 C ATOM 1006 CD2 LEU A 69 20.035 4.339 -2.469 1.00 2.01 C ATOM 0 H LEU A 69 21.996 5.569 -5.755 1.00 31.11 H new ATOM 0 HA LEU A 69 22.640 5.383 -2.861 1.00 30.51 H new ATOM 0 HB2 LEU A 69 22.235 3.124 -4.852 1.00 13.34 H new ATOM 0 HB3 LEU A 69 22.424 2.987 -3.115 1.00 13.34 H new ATOM 0 HG LEU A 69 20.036 4.141 -4.585 1.00 50.20 H new ATOM 0 HD11 LEU A 69 18.831 2.204 -3.643 1.00 51.01 H new ATOM 0 HD12 LEU A 69 20.164 1.709 -4.713 1.00 51.01 H new ATOM 0 HD13 LEU A 69 20.355 1.606 -2.947 1.00 51.01 H new ATOM 0 HD21 LEU A 69 18.949 4.317 -2.384 1.00 2.01 H new ATOM 0 HD22 LEU A 69 20.477 3.852 -1.600 1.00 2.01 H new ATOM 0 HD23 LEU A 69 20.375 5.374 -2.517 1.00 2.01 H new ATOM 1018 N THR A 70 24.916 4.320 -3.380 1.00 2.43 N ATOM 1019 CA THR A 70 26.250 4.016 -3.680 1.00 55.03 C ATOM 1020 C THR A 70 26.365 2.520 -3.815 1.00 64.21 C ATOM 1021 O THR A 70 25.367 1.839 -3.857 1.00 24.30 O ATOM 1022 CB THR A 70 27.297 4.661 -2.709 1.00 72.43 C ATOM 1023 OG1 THR A 70 26.993 4.408 -1.344 1.00 61.32 O ATOM 1024 CG2 THR A 70 27.388 6.162 -2.934 1.00 42.45 C ATOM 0 H THR A 70 24.637 4.113 -2.421 1.00 2.43 H new ATOM 0 HA THR A 70 26.515 4.481 -4.630 1.00 55.03 H new ATOM 0 HB THR A 70 28.257 4.197 -2.934 1.00 72.43 H new ATOM 0 HG1 THR A 70 26.878 3.444 -1.208 1.00 61.32 H new ATOM 0 HG21 THR A 70 28.121 6.589 -2.249 1.00 42.45 H new ATOM 0 HG22 THR A 70 27.694 6.358 -3.962 1.00 42.45 H new ATOM 0 HG23 THR A 70 26.414 6.617 -2.753 1.00 42.45 H new ATOM 1032 N LEU A 71 27.517 2.032 -4.007 1.00 51.05 N ATOM 1033 CA LEU A 71 27.670 0.623 -4.237 1.00 22.04 C ATOM 1034 C LEU A 71 27.717 -0.212 -2.964 1.00 13.02 C ATOM 1035 O LEU A 71 27.321 -1.372 -2.948 1.00 4.21 O ATOM 1036 CB LEU A 71 28.831 0.291 -5.171 1.00 73.14 C ATOM 1037 CG LEU A 71 28.831 0.991 -6.555 1.00 11.45 C ATOM 1038 CD1 LEU A 71 27.461 0.921 -7.196 1.00 53.54 C ATOM 1039 CD2 LEU A 71 29.282 2.434 -6.449 1.00 21.42 C ATOM 0 H LEU A 71 28.384 2.570 -4.014 1.00 51.05 H new ATOM 0 HA LEU A 71 26.753 0.334 -4.751 1.00 22.04 H new ATOM 0 HB2 LEU A 71 29.761 0.543 -4.662 1.00 73.14 H new ATOM 0 HB3 LEU A 71 28.839 -0.787 -5.334 1.00 73.14 H new ATOM 0 HG LEU A 71 29.542 0.459 -7.186 1.00 11.45 H new ATOM 0 HD11 LEU A 71 27.487 1.419 -8.165 1.00 53.54 H new ATOM 0 HD12 LEU A 71 27.175 -0.122 -7.331 1.00 53.54 H new ATOM 0 HD13 LEU A 71 26.733 1.416 -6.553 1.00 53.54 H new ATOM 0 HD21 LEU A 71 29.270 2.893 -7.438 1.00 21.42 H new ATOM 0 HD22 LEU A 71 28.608 2.978 -5.788 1.00 21.42 H new ATOM 0 HD23 LEU A 71 30.294 2.470 -6.045 1.00 21.42 H new ATOM 1051 N ARG A 72 28.164 0.408 -1.887 1.00 35.22 N ATOM 1052 CA ARG A 72 28.561 -0.316 -0.696 1.00 40.13 C ATOM 1053 C ARG A 72 27.394 -0.897 0.060 1.00 43.35 C ATOM 1054 O ARG A 72 27.536 -1.924 0.702 1.00 21.41 O ATOM 1055 CB ARG A 72 29.477 0.539 0.231 1.00 24.32 C ATOM 1056 CG ARG A 72 28.814 1.267 1.437 1.00 42.33 C ATOM 1057 CD ARG A 72 27.994 2.490 1.047 1.00 33.15 C ATOM 1058 NE ARG A 72 27.336 3.108 2.209 1.00 24.51 N ATOM 1059 CZ ARG A 72 26.983 4.399 2.330 1.00 13.53 C ATOM 1060 NH1 ARG A 72 26.965 5.212 1.276 1.00 74.43 N ATOM 1061 NH2 ARG A 72 26.541 4.817 3.472 1.00 3.33 N ATOM 0 H ARG A 72 28.261 1.421 -1.814 1.00 35.22 H new ATOM 0 HA ARG A 72 29.150 -1.163 -1.047 1.00 40.13 H new ATOM 0 HB2 ARG A 72 30.259 -0.112 0.622 1.00 24.32 H new ATOM 0 HB3 ARG A 72 29.968 1.292 -0.386 1.00 24.32 H new ATOM 0 HG2 ARG A 72 28.170 0.563 1.964 1.00 42.33 H new ATOM 0 HG3 ARG A 72 29.592 1.572 2.137 1.00 42.33 H new ATOM 0 HD2 ARG A 72 28.642 3.222 0.566 1.00 33.15 H new ATOM 0 HD3 ARG A 72 27.240 2.202 0.315 1.00 33.15 H new ATOM 0 HE ARG A 72 27.128 2.497 2.999 1.00 24.51 H new ATOM 0 HH11 ARG A 72 27.222 4.858 0.355 1.00 74.43 H new ATOM 0 HH12 ARG A 72 26.694 6.189 1.390 1.00 74.43 H new ATOM 0 HH21 ARG A 72 26.466 4.171 4.258 1.00 3.33 H new ATOM 0 HH22 ARG A 72 26.267 5.793 3.587 1.00 3.33 H new ATOM 1075 N GLU A 73 26.250 -0.279 -0.054 1.00 44.55 N ATOM 1076 CA GLU A 73 25.072 -0.704 0.684 1.00 44.41 C ATOM 1077 C GLU A 73 24.626 -2.055 0.178 1.00 12.34 C ATOM 1078 O GLU A 73 24.215 -2.936 0.937 1.00 34.31 O ATOM 1079 CB GLU A 73 23.930 0.301 0.516 1.00 33.44 C ATOM 1080 CG GLU A 73 24.344 1.755 0.644 1.00 41.32 C ATOM 1081 CD GLU A 73 24.785 2.358 -0.632 1.00 13.42 C ATOM 1082 OE1 GLU A 73 25.930 2.099 -1.041 1.00 72.13 O ATOM 1083 OE2 GLU A 73 24.050 3.129 -1.218 1.00 32.35 O ATOM 0 H GLU A 73 26.099 0.531 -0.656 1.00 44.55 H new ATOM 0 HA GLU A 73 25.329 -0.764 1.742 1.00 44.41 H new ATOM 0 HB2 GLU A 73 23.473 0.152 -0.462 1.00 33.44 H new ATOM 0 HB3 GLU A 73 23.164 0.088 1.261 1.00 33.44 H new ATOM 0 HG2 GLU A 73 23.506 2.330 1.038 1.00 41.32 H new ATOM 0 HG3 GLU A 73 25.152 1.832 1.371 1.00 41.32 H new ATOM 1090 N LEU A 74 24.796 -2.229 -1.103 1.00 3.32 N ATOM 1091 CA LEU A 74 24.386 -3.438 -1.788 1.00 64.03 C ATOM 1092 C LEU A 74 25.415 -4.545 -1.609 1.00 62.11 C ATOM 1093 O LEU A 74 25.160 -5.694 -1.929 1.00 2.12 O ATOM 1094 CB LEU A 74 24.124 -3.186 -3.291 1.00 51.24 C ATOM 1095 CG LEU A 74 23.128 -2.066 -3.631 1.00 30.42 C ATOM 1096 CD1 LEU A 74 23.794 -0.709 -3.608 1.00 10.04 C ATOM 1097 CD2 LEU A 74 22.442 -2.307 -4.953 1.00 11.21 C ATOM 0 H LEU A 74 25.226 -1.533 -1.713 1.00 3.32 H new ATOM 0 HA LEU A 74 23.448 -3.759 -1.335 1.00 64.03 H new ATOM 0 HB2 LEU A 74 25.075 -2.954 -3.770 1.00 51.24 H new ATOM 0 HB3 LEU A 74 23.761 -4.113 -3.735 1.00 51.24 H new ATOM 0 HG LEU A 74 22.361 -2.077 -2.857 1.00 30.42 H new ATOM 0 HD11 LEU A 74 23.061 0.060 -3.853 1.00 10.04 H new ATOM 0 HD12 LEU A 74 24.200 -0.520 -2.614 1.00 10.04 H new ATOM 0 HD13 LEU A 74 24.601 -0.687 -4.340 1.00 10.04 H new ATOM 0 HD21 LEU A 74 21.746 -1.493 -5.156 1.00 11.21 H new ATOM 0 HD22 LEU A 74 23.188 -2.353 -5.747 1.00 11.21 H new ATOM 0 HD23 LEU A 74 21.896 -3.249 -4.913 1.00 11.21 H new ATOM 1109 N TYR A 75 26.570 -4.180 -1.101 1.00 14.10 N ATOM 1110 CA TYR A 75 27.642 -5.128 -0.850 1.00 20.23 C ATOM 1111 C TYR A 75 27.726 -5.507 0.598 1.00 4.21 C ATOM 1112 O TYR A 75 28.005 -6.654 0.925 1.00 62.12 O ATOM 1113 CB TYR A 75 28.979 -4.570 -1.311 1.00 45.45 C ATOM 1114 CG TYR A 75 29.169 -4.645 -2.782 1.00 25.30 C ATOM 1115 CD1 TYR A 75 29.056 -5.858 -3.436 1.00 22.03 C ATOM 1116 CD2 TYR A 75 29.470 -3.522 -3.520 1.00 5.45 C ATOM 1117 CE1 TYR A 75 29.234 -5.943 -4.787 1.00 23.22 C ATOM 1118 CE2 TYR A 75 29.650 -3.595 -4.883 1.00 25.23 C ATOM 1119 CZ TYR A 75 29.530 -4.809 -5.513 1.00 33.41 C ATOM 1120 OH TYR A 75 29.699 -4.892 -6.873 1.00 22.11 O ATOM 0 H TYR A 75 26.797 -3.218 -0.849 1.00 14.10 H new ATOM 0 HA TYR A 75 27.411 -6.026 -1.424 1.00 20.23 H new ATOM 0 HB2 TYR A 75 29.060 -3.531 -0.993 1.00 45.45 H new ATOM 0 HB3 TYR A 75 29.783 -5.118 -0.819 1.00 45.45 H new ATOM 0 HD1 TYR A 75 28.824 -6.749 -2.871 1.00 22.03 H new ATOM 0 HD2 TYR A 75 29.566 -2.569 -3.022 1.00 5.45 H new ATOM 0 HE1 TYR A 75 29.143 -6.897 -5.286 1.00 23.22 H new ATOM 0 HE2 TYR A 75 29.883 -2.706 -5.451 1.00 25.23 H new ATOM 0 HH TYR A 75 29.662 -3.994 -7.263 1.00 22.11 H new ATOM 1130 N ALA A 76 27.498 -4.544 1.467 1.00 11.15 N ATOM 1131 CA ALA A 76 27.588 -4.787 2.883 1.00 1.21 C ATOM 1132 C ALA A 76 26.445 -5.673 3.347 1.00 33.44 C ATOM 1133 O ALA A 76 26.625 -6.562 4.176 1.00 60.40 O ATOM 1134 CB ALA A 76 27.626 -3.482 3.666 1.00 4.33 C ATOM 0 H ALA A 76 27.249 -3.588 1.213 1.00 11.15 H new ATOM 0 HA ALA A 76 28.524 -5.311 3.077 1.00 1.21 H new ATOM 0 HB1 ALA A 76 27.694 -3.699 4.732 1.00 4.33 H new ATOM 0 HB2 ALA A 76 28.494 -2.898 3.358 1.00 4.33 H new ATOM 0 HB3 ALA A 76 26.718 -2.913 3.469 1.00 4.33 H new ATOM 1140 N ALA A 77 25.277 -5.434 2.800 1.00 71.35 N ATOM 1141 CA ALA A 77 24.135 -6.245 3.099 1.00 65.24 C ATOM 1142 C ALA A 77 23.368 -6.543 1.822 1.00 23.41 C ATOM 1143 O ALA A 77 22.400 -5.854 1.491 1.00 64.05 O ATOM 1144 CB ALA A 77 23.237 -5.583 4.142 1.00 31.04 C ATOM 0 H ALA A 77 25.098 -4.676 2.141 1.00 71.35 H new ATOM 0 HA ALA A 77 24.481 -7.185 3.528 1.00 65.24 H new ATOM 0 HB1 ALA A 77 22.380 -6.226 4.345 1.00 31.04 H new ATOM 0 HB2 ALA A 77 23.801 -5.428 5.062 1.00 31.04 H new ATOM 0 HB3 ALA A 77 22.888 -4.622 3.764 1.00 31.04 H new ATOM 1150 N PRO A 78 23.818 -7.527 1.035 1.00 10.32 N ATOM 1151 CA PRO A 78 23.151 -7.887 -0.191 1.00 11.03 C ATOM 1152 C PRO A 78 21.975 -8.787 0.100 1.00 33.40 C ATOM 1153 O PRO A 78 22.090 -10.017 0.110 1.00 14.01 O ATOM 1154 CB PRO A 78 24.223 -8.638 -0.995 1.00 41.21 C ATOM 1155 CG PRO A 78 25.457 -8.623 -0.134 1.00 73.34 C ATOM 1156 CD PRO A 78 24.998 -8.352 1.261 1.00 60.44 C ATOM 0 HA PRO A 78 22.757 -7.024 -0.728 1.00 11.03 H new ATOM 0 HB2 PRO A 78 23.908 -9.659 -1.211 1.00 41.21 H new ATOM 0 HB3 PRO A 78 24.407 -8.152 -1.953 1.00 41.21 H new ATOM 0 HG2 PRO A 78 25.982 -9.577 -0.191 1.00 73.34 H new ATOM 0 HG3 PRO A 78 26.154 -7.855 -0.469 1.00 73.34 H new ATOM 0 HD2 PRO A 78 24.758 -9.270 1.797 1.00 60.44 H new ATOM 0 HD3 PRO A 78 25.755 -7.830 1.846 1.00 60.44 H new ATOM 1164 N THR A 79 20.867 -8.158 0.368 1.00 75.10 N ATOM 1165 CA THR A 79 19.631 -8.788 0.723 1.00 23.52 C ATOM 1166 C THR A 79 18.547 -7.825 0.295 1.00 74.11 C ATOM 1167 O THR A 79 18.704 -6.629 0.511 1.00 51.41 O ATOM 1168 CB THR A 79 19.532 -8.961 2.285 1.00 2.20 C ATOM 1169 OG1 THR A 79 19.802 -7.710 2.926 1.00 61.50 O ATOM 1170 CG2 THR A 79 20.492 -10.004 2.832 1.00 64.23 C ATOM 0 H THR A 79 20.800 -7.141 0.343 1.00 75.10 H new ATOM 0 HA THR A 79 19.547 -9.769 0.255 1.00 23.52 H new ATOM 0 HB THR A 79 18.519 -9.302 2.496 1.00 2.20 H new ATOM 0 HG1 THR A 79 19.738 -7.820 3.898 1.00 61.50 H new ATOM 0 HG21 THR A 79 20.374 -10.075 3.913 1.00 64.23 H new ATOM 0 HG22 THR A 79 20.275 -10.971 2.379 1.00 64.23 H new ATOM 0 HG23 THR A 79 21.516 -9.715 2.597 1.00 64.23 H new ATOM 1178 N LEU A 80 17.465 -8.287 -0.306 1.00 63.22 N ATOM 1179 CA LEU A 80 16.406 -7.346 -0.677 1.00 20.33 C ATOM 1180 C LEU A 80 15.787 -6.793 0.559 1.00 30.33 C ATOM 1181 O LEU A 80 15.355 -5.654 0.586 1.00 64.32 O ATOM 1182 CB LEU A 80 15.351 -7.961 -1.551 1.00 44.01 C ATOM 1183 CG LEU A 80 15.824 -8.468 -2.869 1.00 51.21 C ATOM 1184 CD1 LEU A 80 14.659 -9.053 -3.622 1.00 12.15 C ATOM 1185 CD2 LEU A 80 16.462 -7.352 -3.678 1.00 12.20 C ATOM 0 H LEU A 80 17.292 -9.264 -0.543 1.00 63.22 H new ATOM 0 HA LEU A 80 16.868 -6.551 -1.263 1.00 20.33 H new ATOM 0 HB2 LEU A 80 14.890 -8.786 -1.008 1.00 44.01 H new ATOM 0 HB3 LEU A 80 14.571 -7.220 -1.725 1.00 44.01 H new ATOM 0 HG LEU A 80 16.577 -9.238 -2.703 1.00 51.21 H new ATOM 0 HD11 LEU A 80 15.000 -9.426 -4.588 1.00 12.15 H new ATOM 0 HD12 LEU A 80 14.230 -9.874 -3.047 1.00 12.15 H new ATOM 0 HD13 LEU A 80 13.902 -8.284 -3.777 1.00 12.15 H new ATOM 0 HD21 LEU A 80 16.800 -7.745 -4.637 1.00 12.20 H new ATOM 0 HD22 LEU A 80 15.731 -6.562 -3.847 1.00 12.20 H new ATOM 0 HD23 LEU A 80 17.314 -6.947 -3.131 1.00 12.20 H new ATOM 1197 N ALA A 81 15.825 -7.603 1.596 1.00 14.42 N ATOM 1198 CA ALA A 81 15.348 -7.227 2.919 1.00 22.32 C ATOM 1199 C ALA A 81 15.939 -5.875 3.355 1.00 63.22 C ATOM 1200 O ALA A 81 15.201 -4.989 3.774 1.00 25.40 O ATOM 1201 CB ALA A 81 15.690 -8.310 3.933 1.00 31.14 C ATOM 0 H ALA A 81 16.192 -8.554 1.548 1.00 14.42 H new ATOM 0 HA ALA A 81 14.264 -7.122 2.872 1.00 22.32 H new ATOM 0 HB1 ALA A 81 15.327 -8.014 4.917 1.00 31.14 H new ATOM 0 HB2 ALA A 81 15.217 -9.247 3.638 1.00 31.14 H new ATOM 0 HB3 ALA A 81 16.771 -8.445 3.970 1.00 31.14 H new ATOM 1207 N ALA A 82 17.261 -5.712 3.198 1.00 64.25 N ATOM 1208 CA ALA A 82 17.931 -4.458 3.552 1.00 33.02 C ATOM 1209 C ALA A 82 17.833 -3.444 2.423 1.00 4.13 C ATOM 1210 O ALA A 82 17.847 -2.230 2.657 1.00 25.44 O ATOM 1211 CB ALA A 82 19.387 -4.696 3.908 1.00 52.15 C ATOM 0 H ALA A 82 17.883 -6.432 2.829 1.00 64.25 H new ATOM 0 HA ALA A 82 17.420 -4.054 4.426 1.00 33.02 H new ATOM 0 HB1 ALA A 82 19.858 -3.748 4.166 1.00 52.15 H new ATOM 0 HB2 ALA A 82 19.447 -5.375 4.759 1.00 52.15 H new ATOM 0 HB3 ALA A 82 19.903 -5.137 3.055 1.00 52.15 H new ATOM 1217 N TRP A 83 17.719 -3.927 1.194 1.00 23.04 N ATOM 1218 CA TRP A 83 17.609 -3.027 0.054 1.00 63.22 C ATOM 1219 C TRP A 83 16.266 -2.335 0.046 1.00 60.04 C ATOM 1220 O TRP A 83 16.136 -1.277 -0.505 1.00 34.24 O ATOM 1221 CB TRP A 83 17.865 -3.710 -1.296 1.00 21.11 C ATOM 1222 CG TRP A 83 19.253 -4.273 -1.487 1.00 13.00 C ATOM 1223 CD1 TRP A 83 20.259 -4.357 -0.565 1.00 61.12 C ATOM 1224 CD2 TRP A 83 19.773 -4.835 -2.690 1.00 3.40 C ATOM 1225 NE1 TRP A 83 21.349 -4.976 -1.109 1.00 73.11 N ATOM 1226 CE2 TRP A 83 21.081 -5.273 -2.420 1.00 10.23 C ATOM 1227 CE3 TRP A 83 19.249 -5.018 -3.967 1.00 73.14 C ATOM 1228 CZ2 TRP A 83 21.871 -5.892 -3.386 1.00 42.11 C ATOM 1229 CZ3 TRP A 83 20.032 -5.625 -4.927 1.00 3.21 C ATOM 1230 CH2 TRP A 83 21.328 -6.060 -4.631 1.00 5.24 C ATOM 0 H TRP A 83 17.700 -4.920 0.962 1.00 23.04 H new ATOM 0 HA TRP A 83 18.400 -2.287 0.179 1.00 63.22 H new ATOM 0 HB2 TRP A 83 17.144 -4.519 -1.417 1.00 21.11 H new ATOM 0 HB3 TRP A 83 17.672 -2.989 -2.091 1.00 21.11 H new ATOM 0 HD1 TRP A 83 20.201 -3.987 0.448 1.00 61.12 H new ATOM 0 HE1 TRP A 83 22.220 -5.183 -0.620 1.00 73.11 H new ATOM 0 HE3 TRP A 83 18.247 -4.690 -4.202 1.00 73.14 H new ATOM 0 HZ2 TRP A 83 22.873 -6.226 -3.161 1.00 42.11 H new ATOM 0 HZ3 TRP A 83 19.638 -5.767 -5.923 1.00 3.21 H new ATOM 0 HH2 TRP A 83 21.913 -6.539 -5.402 1.00 5.24 H new ATOM 1241 N ASN A 84 15.271 -2.938 0.682 1.00 15.33 N ATOM 1242 CA ASN A 84 13.949 -2.315 0.829 1.00 42.21 C ATOM 1243 C ASN A 84 14.130 -1.002 1.623 1.00 44.33 C ATOM 1244 O ASN A 84 13.493 0.018 1.337 1.00 54.41 O ATOM 1245 CB ASN A 84 12.970 -3.285 1.550 1.00 1.43 C ATOM 1246 CG ASN A 84 11.491 -2.855 1.504 1.00 45.12 C ATOM 1247 OD1 ASN A 84 11.169 -1.682 1.457 1.00 50.43 O ATOM 1248 ND2 ASN A 84 10.596 -3.825 1.514 1.00 32.13 N ATOM 0 H ASN A 84 15.348 -3.861 1.108 1.00 15.33 H new ATOM 0 HA ASN A 84 13.517 -2.095 -0.147 1.00 42.21 H new ATOM 0 HB2 ASN A 84 13.062 -4.274 1.100 1.00 1.43 H new ATOM 0 HB3 ASN A 84 13.275 -3.380 2.592 1.00 1.43 H new ATOM 0 HD21 ASN A 84 9.601 -3.601 1.482 1.00 32.13 H new ATOM 0 HD22 ASN A 84 10.899 -4.798 1.554 1.00 32.13 H new ATOM 1255 N GLN A 85 15.084 -1.007 2.568 1.00 33.41 N ATOM 1256 CA GLN A 85 15.417 0.204 3.299 1.00 13.12 C ATOM 1257 C GLN A 85 16.074 1.203 2.358 1.00 63.22 C ATOM 1258 O GLN A 85 15.837 2.376 2.459 1.00 51.15 O ATOM 1259 CB GLN A 85 16.309 -0.028 4.543 1.00 31.55 C ATOM 1260 CG GLN A 85 15.648 -0.745 5.724 1.00 12.03 C ATOM 1261 CD GLN A 85 15.459 -2.223 5.501 1.00 73.51 C ATOM 1262 OE1 GLN A 85 16.328 -3.011 5.819 1.00 51.40 O ATOM 1263 NE2 GLN A 85 14.325 -2.613 4.985 1.00 63.35 N ATOM 0 H GLN A 85 15.626 -1.829 2.834 1.00 33.41 H new ATOM 0 HA GLN A 85 14.476 0.599 3.683 1.00 13.12 H new ATOM 0 HB2 GLN A 85 17.181 -0.605 4.236 1.00 31.55 H new ATOM 0 HB3 GLN A 85 16.673 0.939 4.889 1.00 31.55 H new ATOM 0 HG2 GLN A 85 16.256 -0.595 6.616 1.00 12.03 H new ATOM 0 HG3 GLN A 85 14.678 -0.288 5.919 1.00 12.03 H new ATOM 0 HE21 GLN A 85 13.617 -1.924 4.729 1.00 63.35 H new ATOM 0 HE22 GLN A 85 14.147 -3.606 4.837 1.00 63.35 H new ATOM 1272 N LEU A 86 16.868 0.710 1.415 1.00 43.54 N ATOM 1273 CA LEU A 86 17.484 1.558 0.378 1.00 12.41 C ATOM 1274 C LEU A 86 16.419 2.213 -0.490 1.00 63.11 C ATOM 1275 O LEU A 86 16.573 3.342 -0.938 1.00 64.11 O ATOM 1276 CB LEU A 86 18.425 0.742 -0.511 1.00 4.43 C ATOM 1277 CG LEU A 86 19.753 0.338 0.104 1.00 12.04 C ATOM 1278 CD1 LEU A 86 20.445 -0.660 -0.789 1.00 23.52 C ATOM 1279 CD2 LEU A 86 20.633 1.557 0.239 1.00 14.44 C ATOM 0 H LEU A 86 17.107 -0.279 1.340 1.00 43.54 H new ATOM 0 HA LEU A 86 18.057 2.332 0.889 1.00 12.41 H new ATOM 0 HB2 LEU A 86 17.903 -0.163 -0.821 1.00 4.43 H new ATOM 0 HB3 LEU A 86 18.628 1.318 -1.414 1.00 4.43 H new ATOM 0 HG LEU A 86 19.573 -0.106 1.083 1.00 12.04 H new ATOM 0 HD11 LEU A 86 21.398 -0.947 -0.344 1.00 23.52 H new ATOM 0 HD12 LEU A 86 19.817 -1.543 -0.903 1.00 23.52 H new ATOM 0 HD13 LEU A 86 20.622 -0.212 -1.767 1.00 23.52 H new ATOM 0 HD21 LEU A 86 21.587 1.270 0.680 1.00 14.44 H new ATOM 0 HD22 LEU A 86 20.805 1.992 -0.745 1.00 14.44 H new ATOM 0 HD23 LEU A 86 20.143 2.290 0.880 1.00 14.44 H new ATOM 1291 N MET A 87 15.334 1.505 -0.680 1.00 3.23 N ATOM 1292 CA MET A 87 14.232 1.973 -1.500 1.00 51.12 C ATOM 1293 C MET A 87 13.485 3.105 -0.788 1.00 40.23 C ATOM 1294 O MET A 87 13.496 4.261 -1.214 1.00 44.01 O ATOM 1295 CB MET A 87 13.237 0.828 -1.788 1.00 51.40 C ATOM 1296 CG MET A 87 13.873 -0.478 -2.251 1.00 43.21 C ATOM 1297 SD MET A 87 14.778 -0.370 -3.795 1.00 12.11 S ATOM 1298 CE MET A 87 13.416 -0.110 -4.892 1.00 22.55 C ATOM 0 H MET A 87 15.184 0.583 -0.271 1.00 3.23 H new ATOM 0 HA MET A 87 14.648 2.335 -2.440 1.00 51.12 H new ATOM 0 HB2 MET A 87 12.660 0.633 -0.884 1.00 51.40 H new ATOM 0 HB3 MET A 87 12.533 1.162 -2.550 1.00 51.40 H new ATOM 0 HG2 MET A 87 14.550 -0.831 -1.473 1.00 43.21 H new ATOM 0 HG3 MET A 87 13.090 -1.229 -2.357 1.00 43.21 H new ATOM 0 HE1 MET A 87 13.472 -0.821 -5.716 1.00 22.55 H new ATOM 0 HE2 MET A 87 12.481 -0.254 -4.351 1.00 22.55 H new ATOM 0 HE3 MET A 87 13.455 0.906 -5.286 1.00 22.55 H new ATOM 1308 N LEU A 88 12.891 2.801 0.330 1.00 11.52 N ATOM 1309 CA LEU A 88 12.054 3.774 0.982 1.00 50.31 C ATOM 1310 C LEU A 88 12.711 4.672 2.030 1.00 31.03 C ATOM 1311 O LEU A 88 12.191 5.736 2.353 1.00 12.45 O ATOM 1312 CB LEU A 88 10.736 3.181 1.386 1.00 52.13 C ATOM 1313 CG LEU A 88 10.769 1.813 1.982 1.00 50.14 C ATOM 1314 CD1 LEU A 88 11.187 1.858 3.427 1.00 32.24 C ATOM 1315 CD2 LEU A 88 9.441 1.166 1.759 1.00 12.10 C ATOM 0 H LEU A 88 12.967 1.902 0.806 1.00 11.52 H new ATOM 0 HA LEU A 88 11.850 4.517 0.211 1.00 50.31 H new ATOM 0 HB2 LEU A 88 10.267 3.853 2.104 1.00 52.13 H new ATOM 0 HB3 LEU A 88 10.092 3.153 0.507 1.00 52.13 H new ATOM 0 HG LEU A 88 11.525 1.200 1.491 1.00 50.14 H new ATOM 0 HD11 LEU A 88 11.202 0.847 3.833 1.00 32.24 H new ATOM 0 HD12 LEU A 88 12.183 2.294 3.504 1.00 32.24 H new ATOM 0 HD13 LEU A 88 10.480 2.466 3.992 1.00 32.24 H new ATOM 0 HD21 LEU A 88 9.448 0.164 2.189 1.00 12.10 H new ATOM 0 HD22 LEU A 88 8.662 1.761 2.236 1.00 12.10 H new ATOM 0 HD23 LEU A 88 9.243 1.100 0.689 1.00 12.10 H new ATOM 1327 N SER A 89 13.837 4.269 2.538 1.00 43.35 N ATOM 1328 CA SER A 89 14.574 5.085 3.501 1.00 52.13 C ATOM 1329 C SER A 89 15.896 5.622 2.907 1.00 22.01 C ATOM 1330 O SER A 89 16.406 6.646 3.352 1.00 41.53 O ATOM 1331 CB SER A 89 14.843 4.262 4.762 1.00 14.23 C ATOM 1332 OG SER A 89 13.631 3.714 5.258 1.00 33.20 O ATOM 0 H SER A 89 14.280 3.379 2.311 1.00 43.35 H new ATOM 0 HA SER A 89 13.964 5.952 3.754 1.00 52.13 H new ATOM 0 HB2 SER A 89 15.548 3.461 4.539 1.00 14.23 H new ATOM 0 HB3 SER A 89 15.305 4.890 5.523 1.00 14.23 H new ATOM 0 HG SER A 89 13.816 3.188 6.064 1.00 33.20 H new ATOM 1338 N ARG A 90 16.403 4.937 1.863 1.00 73.11 N ATOM 1339 CA ARG A 90 17.711 5.201 1.237 1.00 1.33 C ATOM 1340 C ARG A 90 18.858 4.904 2.156 1.00 71.13 C ATOM 1341 O ARG A 90 19.963 5.354 1.937 1.00 61.33 O ATOM 1342 CB ARG A 90 17.812 6.577 0.613 1.00 64.01 C ATOM 1343 CG ARG A 90 17.175 6.637 -0.747 1.00 0.01 C ATOM 1344 CD ARG A 90 15.665 6.475 -0.727 1.00 34.24 C ATOM 1345 NE ARG A 90 14.996 7.508 0.076 1.00 14.02 N ATOM 1346 CZ ARG A 90 13.667 7.672 0.149 1.00 14.32 C ATOM 1347 NH1 ARG A 90 12.851 6.848 -0.518 1.00 74.25 N ATOM 1348 NH2 ARG A 90 13.155 8.641 0.916 1.00 0.31 N ATOM 0 H ARG A 90 15.901 4.166 1.422 1.00 73.11 H new ATOM 0 HA ARG A 90 17.785 4.497 0.408 1.00 1.33 H new ATOM 0 HB2 ARG A 90 17.334 7.306 1.268 1.00 64.01 H new ATOM 0 HB3 ARG A 90 18.861 6.860 0.533 1.00 64.01 H new ATOM 0 HG2 ARG A 90 17.422 7.592 -1.211 1.00 0.01 H new ATOM 0 HG3 ARG A 90 17.606 5.857 -1.374 1.00 0.01 H new ATOM 0 HD2 ARG A 90 15.286 6.512 -1.748 1.00 34.24 H new ATOM 0 HD3 ARG A 90 15.414 5.492 -0.329 1.00 34.24 H new ATOM 0 HE ARG A 90 15.583 8.144 0.615 1.00 14.02 H new ATOM 0 HH11 ARG A 90 13.239 6.093 -1.083 1.00 74.25 H new ATOM 0 HH12 ARG A 90 11.840 6.975 -0.461 1.00 74.25 H new ATOM 0 HH21 ARG A 90 13.775 9.254 1.445 1.00 0.31 H new ATOM 0 HH22 ARG A 90 12.144 8.767 0.972 1.00 0.31 H new ATOM 1362 N SER A 91 18.551 4.056 3.114 1.00 31.12 N ATOM 1363 CA SER A 91 19.453 3.591 4.190 1.00 40.11 C ATOM 1364 C SER A 91 20.475 4.651 4.645 1.00 70.31 C ATOM 1365 O SER A 91 21.616 4.633 4.215 1.00 5.11 O ATOM 1366 CB SER A 91 20.144 2.286 3.796 1.00 43.45 C ATOM 1367 OG SER A 91 19.175 1.285 3.474 1.00 72.11 O ATOM 0 H SER A 91 17.622 3.641 3.183 1.00 31.12 H new ATOM 0 HA SER A 91 18.818 3.405 5.056 1.00 40.11 H new ATOM 0 HB2 SER A 91 20.797 2.457 2.940 1.00 43.45 H new ATOM 0 HB3 SER A 91 20.775 1.940 4.615 1.00 43.45 H new ATOM 0 HG SER A 91 19.633 0.456 3.222 1.00 72.11 H new ATOM 1373 N PRO A 92 20.035 5.641 5.445 1.00 22.33 N ATOM 1374 CA PRO A 92 20.911 6.710 5.947 1.00 34.41 C ATOM 1375 C PRO A 92 22.116 6.240 6.729 1.00 70.25 C ATOM 1376 O PRO A 92 22.011 5.778 7.873 1.00 33.44 O ATOM 1377 CB PRO A 92 19.980 7.533 6.819 1.00 73.31 C ATOM 1378 CG PRO A 92 18.710 7.348 6.131 1.00 21.13 C ATOM 1379 CD PRO A 92 18.652 5.878 5.870 1.00 33.15 C ATOM 0 HA PRO A 92 21.365 7.256 5.120 1.00 34.41 H new ATOM 0 HB2 PRO A 92 19.949 7.168 7.846 1.00 73.31 H new ATOM 0 HB3 PRO A 92 20.276 8.581 6.862 1.00 73.31 H new ATOM 0 HG2 PRO A 92 17.872 7.678 6.745 1.00 21.13 H new ATOM 0 HG3 PRO A 92 18.671 7.920 5.204 1.00 21.13 H new ATOM 0 HD2 PRO A 92 18.386 5.307 6.759 1.00 33.15 H new ATOM 0 HD3 PRO A 92 17.928 5.620 5.097 1.00 33.15 H new ATOM 1387 N GLU A 93 23.211 6.331 6.068 1.00 20.54 N ATOM 1388 CA GLU A 93 24.527 6.087 6.618 1.00 72.54 C ATOM 1389 C GLU A 93 25.407 7.217 6.093 1.00 42.13 C ATOM 1390 O GLU A 93 25.572 8.222 6.794 1.00 60.30 O ATOM 1391 CB GLU A 93 25.156 4.777 6.124 1.00 62.02 C ATOM 1392 CG GLU A 93 24.403 3.473 6.291 1.00 1.11 C ATOM 1393 CD GLU A 93 25.231 2.298 5.740 1.00 53.14 C ATOM 1394 OE1 GLU A 93 26.059 2.517 4.778 1.00 21.30 O ATOM 1395 OE2 GLU A 93 25.109 1.177 6.265 1.00 42.32 O ATOM 1396 OXT GLU A 93 25.874 7.103 4.904 1.00 37.32 O ATOM 0 H GLU A 93 23.234 6.589 5.081 1.00 20.54 H new ATOM 0 HA GLU A 93 24.447 6.029 7.704 1.00 72.54 H new ATOM 0 HB2 GLU A 93 25.367 4.897 5.061 1.00 62.02 H new ATOM 0 HB3 GLU A 93 26.116 4.666 6.629 1.00 62.02 H new ATOM 0 HG2 GLU A 93 24.181 3.307 7.345 1.00 1.11 H new ATOM 0 HG3 GLU A 93 23.448 3.529 5.769 1.00 1.11 H new TER 1403 GLU A 93