USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 LYS NZ :NH3+ -170:sc= 1.68 (180deg=1.3) USER MOD Set 1.2: A 82 THR OG1 : rot -75:sc= 1.66 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.052 K(o=-0.052,f=-2!) USER MOD Single : A 18 SER OG : rot 61:sc= 0.801 USER MOD Single : A 22 CYS SG : rot 180:sc=-0.000519 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 28 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.29) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00227 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 1.02 K(o=1,f=-3.9!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.461 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.71) USER MOD Single : A 49 SER OG : rot 95:sc= 0.213 USER MOD Single : A 54 HIS : no HD1:sc= -1.85 K(o=-1.9,f=0.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.52) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 72 HIS : no HD1:sc= -0.0805 X(o=-0.081,f=-0.42) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.086) USER MOD Single : A 77 CYS SG : rot -26:sc= 0.0347 USER MOD Single : A 78 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.4) USER MOD Single : A 84 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.48) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0483) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.388 -9.195 -8.744 1.00 51.31 N ATOM 61 CA GLY A 5 -5.164 -9.646 -9.352 1.00 62.21 C ATOM 62 C GLY A 5 -4.671 -8.610 -10.318 1.00 30.32 C ATOM 63 O GLY A 5 -3.540 -8.703 -10.796 1.00 44.14 O ATOM 0 HA2 GLY A 5 -4.412 -9.830 -8.585 1.00 62.21 H new ATOM 0 HA3 GLY A 5 -5.330 -10.591 -9.870 1.00 62.21 H new ATOM 67 N ASP A 6 -5.498 -7.588 -10.661 1.00 31.51 N ATOM 68 CA ASP A 6 -5.036 -6.573 -11.593 1.00 30.52 C ATOM 69 C ASP A 6 -4.201 -5.622 -10.842 1.00 3.40 C ATOM 70 O ASP A 6 -4.533 -5.222 -9.724 1.00 14.00 O ATOM 71 CB ASP A 6 -6.141 -5.738 -12.281 1.00 50.55 C ATOM 72 CG ASP A 6 -6.591 -6.447 -13.524 1.00 75.33 C ATOM 73 OD1 ASP A 6 -5.718 -6.913 -14.295 1.00 74.33 O ATOM 74 OD2 ASP A 6 -7.807 -6.525 -13.764 1.00 4.41 O ATOM 0 H ASP A 6 -6.448 -7.462 -10.312 1.00 31.51 H new ATOM 0 HA ASP A 6 -4.517 -7.117 -12.382 1.00 30.52 H new ATOM 0 HB2 ASP A 6 -6.983 -5.597 -11.603 1.00 50.55 H new ATOM 0 HB3 ASP A 6 -5.763 -4.746 -12.530 1.00 50.55 H new ATOM 79 N ILE A 7 -3.080 -5.252 -11.459 1.00 3.31 N ATOM 80 CA ILE A 7 -2.147 -4.395 -10.910 1.00 43.03 C ATOM 81 C ILE A 7 -2.338 -3.058 -11.556 1.00 10.05 C ATOM 82 O ILE A 7 -2.473 -2.967 -12.780 1.00 43.51 O ATOM 83 CB ILE A 7 -0.795 -4.907 -11.238 1.00 74.21 C ATOM 84 CG1 ILE A 7 -0.795 -6.436 -10.936 1.00 15.11 C ATOM 85 CG2 ILE A 7 0.241 -4.062 -10.485 1.00 43.21 C ATOM 86 CD1 ILE A 7 0.550 -7.035 -10.847 1.00 44.50 C ATOM 0 H ILE A 7 -2.829 -5.580 -12.392 1.00 3.31 H new ATOM 0 HA ILE A 7 -2.259 -4.320 -9.828 1.00 43.03 H new ATOM 0 HB ILE A 7 -0.520 -4.808 -12.288 1.00 74.21 H new ATOM 0 HG12 ILE A 7 -1.321 -6.609 -9.997 1.00 15.11 H new ATOM 0 HG13 ILE A 7 -1.358 -6.949 -11.716 1.00 15.11 H new ATOM 0 HG21 ILE A 7 1.243 -4.425 -10.715 1.00 43.21 H new ATOM 0 HG22 ILE A 7 0.153 -3.020 -10.792 1.00 43.21 H new ATOM 0 HG23 ILE A 7 0.064 -4.140 -9.412 1.00 43.21 H new ATOM 0 HD11 ILE A 7 0.461 -8.100 -10.635 1.00 44.50 H new ATOM 0 HD12 ILE A 7 1.073 -6.896 -11.793 1.00 44.50 H new ATOM 0 HD13 ILE A 7 1.111 -6.552 -10.047 1.00 44.50 H new ATOM 98 N PHE A 8 -2.378 -1.999 -10.744 1.00 74.35 N ATOM 99 CA PHE A 8 -2.516 -0.666 -11.279 1.00 50.00 C ATOM 100 C PHE A 8 -1.640 0.239 -10.474 1.00 14.21 C ATOM 101 O PHE A 8 -1.263 -0.085 -9.347 1.00 35.32 O ATOM 102 CB PHE A 8 -3.990 -0.092 -11.349 1.00 53.41 C ATOM 103 CG PHE A 8 -4.719 -0.180 -10.005 1.00 34.44 C ATOM 104 CD1 PHE A 8 -5.040 -1.434 -9.409 1.00 1.53 C ATOM 105 CD2 PHE A 8 -5.162 1.003 -9.355 1.00 14.31 C ATOM 106 CE1 PHE A 8 -5.762 -1.491 -8.201 1.00 71.32 C ATOM 107 CE2 PHE A 8 -5.901 0.934 -8.154 1.00 64.25 C ATOM 108 CZ PHE A 8 -6.193 -0.310 -7.577 1.00 31.24 C ATOM 0 H PHE A 8 -2.317 -2.049 -9.727 1.00 74.35 H new ATOM 0 HA PHE A 8 -2.215 -0.719 -12.325 1.00 50.00 H new ATOM 0 HB2 PHE A 8 -3.956 0.948 -11.673 1.00 53.41 H new ATOM 0 HB3 PHE A 8 -4.555 -0.642 -12.102 1.00 53.41 H new ATOM 0 HD1 PHE A 8 -4.727 -2.350 -9.888 1.00 1.53 H new ATOM 0 HD2 PHE A 8 -4.931 1.966 -9.785 1.00 14.31 H new ATOM 0 HE1 PHE A 8 -5.985 -2.448 -7.753 1.00 71.32 H new ATOM 0 HE2 PHE A 8 -6.242 1.842 -7.679 1.00 64.25 H new ATOM 0 HZ PHE A 8 -6.749 -0.359 -6.653 1.00 31.24 H new ATOM 118 N GLU A 9 -1.257 1.385 -11.078 1.00 25.22 N ATOM 119 CA GLU A 9 -0.436 2.359 -10.403 1.00 61.24 C ATOM 120 C GLU A 9 -1.350 3.447 -10.024 1.00 31.42 C ATOM 121 O GLU A 9 -2.293 3.758 -10.776 1.00 30.41 O ATOM 122 CB GLU A 9 0.627 3.023 -11.316 1.00 12.01 C ATOM 123 CG GLU A 9 1.630 2.051 -11.932 1.00 50.44 C ATOM 124 CD GLU A 9 2.624 2.849 -12.758 1.00 3.41 C ATOM 125 OE1 GLU A 9 2.444 4.094 -12.902 1.00 52.41 O ATOM 126 OE2 GLU A 9 3.583 2.252 -13.268 1.00 70.15 O ATOM 0 H GLU A 9 -1.514 1.639 -12.032 1.00 25.22 H new ATOM 0 HA GLU A 9 0.081 1.856 -9.586 1.00 61.24 H new ATOM 0 HB2 GLU A 9 0.116 3.555 -12.119 1.00 12.01 H new ATOM 0 HB3 GLU A 9 1.172 3.768 -10.736 1.00 12.01 H new ATOM 0 HG2 GLU A 9 2.147 1.493 -11.151 1.00 50.44 H new ATOM 0 HG3 GLU A 9 1.116 1.321 -12.558 1.00 50.44 H new ATOM 133 N VAL A 10 -1.092 4.083 -8.879 1.00 43.14 N ATOM 134 CA VAL A 10 -1.853 5.225 -8.496 1.00 72.02 C ATOM 135 C VAL A 10 -0.889 6.188 -7.886 1.00 31.30 C ATOM 136 O VAL A 10 0.129 5.791 -7.290 1.00 31.13 O ATOM 137 CB VAL A 10 -2.952 4.922 -7.497 1.00 63.11 C ATOM 138 CG1 VAL A 10 -3.971 4.012 -8.203 1.00 2.41 C ATOM 139 CG2 VAL A 10 -2.323 4.279 -6.234 1.00 30.14 C ATOM 0 H VAL A 10 -0.362 3.812 -8.220 1.00 43.14 H new ATOM 0 HA VAL A 10 -2.356 5.619 -9.379 1.00 72.02 H new ATOM 0 HB VAL A 10 -3.472 5.818 -7.160 1.00 63.11 H new ATOM 0 HG11 VAL A 10 -4.781 3.770 -7.515 1.00 2.41 H new ATOM 0 HG12 VAL A 10 -4.376 4.527 -9.074 1.00 2.41 H new ATOM 0 HG13 VAL A 10 -3.479 3.093 -8.521 1.00 2.41 H new ATOM 0 HG21 VAL A 10 -3.107 4.058 -5.510 1.00 30.14 H new ATOM 0 HG22 VAL A 10 -1.814 3.356 -6.511 1.00 30.14 H new ATOM 0 HG23 VAL A 10 -1.606 4.971 -5.792 1.00 30.14 H new ATOM 149 N GLU A 11 -1.178 7.472 -8.044 1.00 13.05 N ATOM 150 CA GLU A 11 -0.443 8.493 -7.365 1.00 2.20 C ATOM 151 C GLU A 11 -1.365 9.013 -6.295 1.00 42.24 C ATOM 152 O GLU A 11 -2.498 9.435 -6.575 1.00 62.35 O ATOM 153 CB GLU A 11 -0.007 9.649 -8.294 1.00 21.13 C ATOM 154 CG GLU A 11 -1.106 10.109 -9.253 1.00 53.14 C ATOM 155 CD GLU A 11 -0.539 11.124 -10.198 1.00 55.24 C ATOM 156 OE1 GLU A 11 -0.143 12.210 -9.729 1.00 0.54 O ATOM 157 OE2 GLU A 11 -0.480 10.847 -11.407 1.00 14.00 O ATOM 0 H GLU A 11 -1.926 7.819 -8.645 1.00 13.05 H new ATOM 0 HA GLU A 11 0.482 8.078 -6.965 1.00 2.20 H new ATOM 0 HB2 GLU A 11 0.309 10.495 -7.684 1.00 21.13 H new ATOM 0 HB3 GLU A 11 0.860 9.332 -8.873 1.00 21.13 H new ATOM 0 HG2 GLU A 11 -1.501 9.258 -9.808 1.00 53.14 H new ATOM 0 HG3 GLU A 11 -1.937 10.539 -8.694 1.00 53.14 H new ATOM 164 N LEU A 12 -0.920 8.943 -5.037 1.00 54.04 N ATOM 165 CA LEU A 12 -1.728 9.387 -3.924 1.00 43.02 C ATOM 166 C LEU A 12 -0.959 10.405 -3.227 1.00 53.34 C ATOM 167 O LEU A 12 0.182 10.197 -2.896 1.00 72.02 O ATOM 168 CB LEU A 12 -2.017 8.296 -2.887 1.00 0.41 C ATOM 169 CG LEU A 12 -3.084 7.325 -3.323 1.00 61.14 C ATOM 170 CD1 LEU A 12 -2.585 5.897 -3.224 1.00 62.42 C ATOM 171 CD2 LEU A 12 -4.401 7.575 -2.572 1.00 45.41 C ATOM 0 H LEU A 12 -0.003 8.581 -4.776 1.00 54.04 H new ATOM 0 HA LEU A 12 -2.680 9.725 -4.333 1.00 43.02 H new ATOM 0 HB2 LEU A 12 -1.098 7.747 -2.682 1.00 0.41 H new ATOM 0 HB3 LEU A 12 -2.323 8.765 -1.952 1.00 0.41 H new ATOM 0 HG LEU A 12 -3.309 7.494 -4.376 1.00 61.14 H new ATOM 0 HD11 LEU A 12 -3.372 5.214 -3.544 1.00 62.42 H new ATOM 0 HD12 LEU A 12 -1.713 5.771 -3.865 1.00 62.42 H new ATOM 0 HD13 LEU A 12 -2.311 5.678 -2.192 1.00 62.42 H new ATOM 0 HD21 LEU A 12 -5.152 6.860 -2.907 1.00 45.41 H new ATOM 0 HD22 LEU A 12 -4.238 7.455 -1.501 1.00 45.41 H new ATOM 0 HD23 LEU A 12 -4.749 8.588 -2.774 1.00 45.41 H new ATOM 183 N ALA A 13 -1.594 11.526 -2.939 1.00 55.14 N ATOM 184 CA ALA A 13 -0.978 12.512 -2.119 1.00 11.32 C ATOM 185 C ALA A 13 -1.232 12.047 -0.731 1.00 52.52 C ATOM 186 O ALA A 13 -2.302 11.570 -0.448 1.00 25.32 O ATOM 187 CB ALA A 13 -1.612 13.908 -2.264 1.00 2.22 C ATOM 0 H ALA A 13 -2.531 11.761 -3.266 1.00 55.14 H new ATOM 0 HA ALA A 13 0.072 12.615 -2.392 1.00 11.32 H new ATOM 0 HB1 ALA A 13 -1.095 14.612 -1.612 1.00 2.22 H new ATOM 0 HB2 ALA A 13 -1.526 14.241 -3.298 1.00 2.22 H new ATOM 0 HB3 ALA A 13 -2.665 13.860 -1.985 1.00 2.22 H new ATOM 193 N LYS A 14 -0.236 12.160 0.160 1.00 73.22 N ATOM 194 CA LYS A 14 -0.455 11.801 1.563 1.00 74.11 C ATOM 195 C LYS A 14 -1.421 12.804 2.138 1.00 74.45 C ATOM 196 O LYS A 14 -2.279 12.457 2.936 1.00 20.34 O ATOM 197 CB LYS A 14 0.848 11.799 2.405 1.00 14.23 C ATOM 198 CG LYS A 14 1.651 10.500 2.211 1.00 12.44 C ATOM 199 CD LYS A 14 3.144 10.680 1.885 1.00 14.42 C ATOM 200 CE LYS A 14 4.020 11.175 3.045 1.00 1.11 C ATOM 201 NZ LYS A 14 5.452 11.085 2.670 1.00 23.43 N ATOM 0 H LYS A 14 0.704 12.488 -0.060 1.00 73.22 H new ATOM 0 HA LYS A 14 -0.844 10.784 1.600 1.00 74.11 H new ATOM 0 HB2 LYS A 14 1.464 12.653 2.123 1.00 14.23 H new ATOM 0 HB3 LYS A 14 0.600 11.919 3.460 1.00 14.23 H new ATOM 0 HG2 LYS A 14 1.566 9.903 3.119 1.00 12.44 H new ATOM 0 HG3 LYS A 14 1.189 9.926 1.408 1.00 12.44 H new ATOM 0 HD2 LYS A 14 3.539 9.726 1.536 1.00 14.42 H new ATOM 0 HD3 LYS A 14 3.235 11.384 1.058 1.00 14.42 H new ATOM 0 HE2 LYS A 14 3.764 12.205 3.292 1.00 1.11 H new ATOM 0 HE3 LYS A 14 3.830 10.577 3.936 1.00 1.11 H new ATOM 0 HZ1 LYS A 14 6.042 11.258 3.509 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 5.654 10.136 2.294 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 5.666 11.798 1.943 1.00 23.43 H new ATOM 215 N ASN A 15 -1.311 14.063 1.660 1.00 41.00 N ATOM 216 CA ASN A 15 -2.141 15.178 2.111 1.00 12.02 C ATOM 217 C ASN A 15 -1.781 15.505 3.548 1.00 14.11 C ATOM 218 O ASN A 15 -1.981 14.706 4.458 1.00 41.13 O ATOM 219 CB ASN A 15 -3.685 14.973 1.960 1.00 4.14 C ATOM 220 CG ASN A 15 -4.402 16.302 2.230 1.00 3.25 C ATOM 221 OD1 ASN A 15 -4.520 17.156 1.330 1.00 35.54 O ATOM 222 ND2 ASN A 15 -4.887 16.494 3.465 1.00 40.03 N ATOM 0 H ASN A 15 -0.634 14.326 0.944 1.00 41.00 H new ATOM 0 HA ASN A 15 -1.918 16.012 1.445 1.00 12.02 H new ATOM 0 HB2 ASN A 15 -3.920 14.617 0.957 1.00 4.14 H new ATOM 0 HB3 ASN A 15 -4.032 14.211 2.658 1.00 4.14 H new ATOM 0 HD21 ASN A 15 -5.372 17.362 3.693 1.00 40.03 H new ATOM 0 HD22 ASN A 15 -4.771 15.772 4.176 1.00 40.03 H new ATOM 229 N ASP A 16 -1.193 16.709 3.754 1.00 2.25 N ATOM 230 CA ASP A 16 -0.695 17.152 5.073 1.00 14.01 C ATOM 231 C ASP A 16 0.408 16.203 5.491 1.00 22.54 C ATOM 232 O ASP A 16 0.624 15.962 6.675 1.00 62.13 O ATOM 233 CB ASP A 16 -1.796 17.192 6.186 1.00 22.34 C ATOM 234 CG ASP A 16 -1.288 17.979 7.378 1.00 3.43 C ATOM 235 OD1 ASP A 16 -1.039 19.193 7.220 1.00 42.21 O ATOM 236 OD2 ASP A 16 -1.169 17.401 8.481 1.00 31.34 O ATOM 0 H ASP A 16 -1.053 17.395 3.012 1.00 2.25 H new ATOM 0 HA ASP A 16 -0.341 18.177 4.966 1.00 14.01 H new ATOM 0 HB2 ASP A 16 -2.705 17.650 5.796 1.00 22.34 H new ATOM 0 HB3 ASP A 16 -2.056 16.178 6.491 1.00 22.34 H new ATOM 241 N ASN A 17 1.149 15.675 4.463 1.00 72.13 N ATOM 242 CA ASN A 17 2.243 14.656 4.588 1.00 12.50 C ATOM 243 C ASN A 17 1.888 13.464 5.478 1.00 25.15 C ATOM 244 O ASN A 17 2.736 12.595 5.694 1.00 54.35 O ATOM 245 CB ASN A 17 3.601 15.229 5.076 1.00 30.31 C ATOM 246 CG ASN A 17 4.183 16.140 4.000 1.00 40.33 C ATOM 247 OD1 ASN A 17 3.700 16.179 2.860 1.00 63.04 O ATOM 248 ND2 ASN A 17 5.241 16.886 4.352 1.00 20.33 N ATOM 0 H ASN A 17 0.995 15.957 3.495 1.00 72.13 H new ATOM 0 HA ASN A 17 2.353 14.315 3.558 1.00 12.50 H new ATOM 0 HB2 ASN A 17 3.461 15.786 6.003 1.00 30.31 H new ATOM 0 HB3 ASN A 17 4.294 14.416 5.294 1.00 30.31 H new ATOM 0 HD21 ASN A 17 5.674 17.511 3.672 1.00 20.33 H new ATOM 0 HD22 ASN A 17 5.613 16.829 5.300 1.00 20.33 H new ATOM 255 N SER A 18 0.670 13.385 6.002 1.00 52.32 N ATOM 256 CA SER A 18 0.351 12.391 6.968 1.00 53.42 C ATOM 257 C SER A 18 -0.432 11.337 6.286 1.00 72.30 C ATOM 258 O SER A 18 -1.242 11.613 5.419 1.00 21.52 O ATOM 259 CB SER A 18 -0.505 12.948 8.117 1.00 64.40 C ATOM 260 OG SER A 18 0.191 14.024 8.760 1.00 21.31 O ATOM 0 H SER A 18 -0.101 14.008 5.761 1.00 52.32 H new ATOM 0 HA SER A 18 1.282 12.014 7.392 1.00 53.42 H new ATOM 0 HB2 SER A 18 -1.463 13.300 7.733 1.00 64.40 H new ATOM 0 HB3 SER A 18 -0.721 12.159 8.838 1.00 64.40 H new ATOM 0 HG SER A 18 0.349 14.744 8.114 1.00 21.31 H new ATOM 266 N LEU A 19 -0.199 10.094 6.683 1.00 42.45 N ATOM 267 CA LEU A 19 -0.994 9.011 6.228 1.00 40.20 C ATOM 268 C LEU A 19 -1.554 8.440 7.490 1.00 73.43 C ATOM 269 O LEU A 19 -1.854 9.185 8.420 1.00 0.12 O ATOM 270 CB LEU A 19 -0.229 7.912 5.388 1.00 4.54 C ATOM 271 CG LEU A 19 1.103 7.345 5.995 1.00 52.01 C ATOM 272 CD1 LEU A 19 1.484 5.993 5.359 1.00 22.44 C ATOM 273 CD2 LEU A 19 2.286 8.338 5.926 1.00 23.34 C ATOM 0 H LEU A 19 0.547 9.830 7.326 1.00 42.45 H new ATOM 0 HA LEU A 19 -1.743 9.362 5.519 1.00 40.20 H new ATOM 0 HB2 LEU A 19 -0.909 7.076 5.226 1.00 4.54 H new ATOM 0 HB3 LEU A 19 -0.002 8.333 4.408 1.00 4.54 H new ATOM 0 HG LEU A 19 0.898 7.186 7.054 1.00 52.01 H new ATOM 0 HD11 LEU A 19 2.411 5.630 5.803 1.00 22.44 H new ATOM 0 HD12 LEU A 19 0.689 5.270 5.538 1.00 22.44 H new ATOM 0 HD13 LEU A 19 1.622 6.122 4.286 1.00 22.44 H new ATOM 0 HD21 LEU A 19 3.173 7.879 6.363 1.00 23.34 H new ATOM 0 HD22 LEU A 19 2.486 8.594 4.886 1.00 23.34 H new ATOM 0 HD23 LEU A 19 2.035 9.242 6.480 1.00 23.34 H new ATOM 285 N GLY A 20 -1.702 7.130 7.570 1.00 11.15 N ATOM 286 CA GLY A 20 -2.237 6.537 8.772 1.00 24.42 C ATOM 287 C GLY A 20 -3.060 5.402 8.341 1.00 11.13 C ATOM 288 O GLY A 20 -4.190 5.235 8.772 1.00 14.30 O ATOM 0 H GLY A 20 -1.463 6.471 6.829 1.00 11.15 H new ATOM 0 HA2 GLY A 20 -1.435 6.207 9.433 1.00 24.42 H new ATOM 0 HA3 GLY A 20 -2.833 7.259 9.330 1.00 24.42 H new ATOM 292 N ILE A 21 -2.501 4.585 7.454 1.00 2.13 N ATOM 293 CA ILE A 21 -3.197 3.451 6.928 1.00 11.02 C ATOM 294 C ILE A 21 -2.816 2.332 7.881 1.00 34.42 C ATOM 295 O ILE A 21 -2.018 2.560 8.784 1.00 71.21 O ATOM 296 CB ILE A 21 -2.761 3.107 5.483 1.00 71.45 C ATOM 297 CG1 ILE A 21 -2.282 4.379 4.716 1.00 72.33 C ATOM 298 CG2 ILE A 21 -3.932 2.414 4.753 1.00 43.21 C ATOM 299 CD1 ILE A 21 -3.381 5.438 4.505 1.00 72.04 C ATOM 0 H ILE A 21 -1.555 4.703 7.090 1.00 2.13 H new ATOM 0 HA ILE A 21 -4.271 3.627 6.863 1.00 11.02 H new ATOM 0 HB ILE A 21 -1.911 2.425 5.519 1.00 71.45 H new ATOM 0 HG12 ILE A 21 -1.457 4.832 5.265 1.00 72.33 H new ATOM 0 HG13 ILE A 21 -1.891 4.078 3.744 1.00 72.33 H new ATOM 0 HG21 ILE A 21 -3.632 2.169 3.734 1.00 43.21 H new ATOM 0 HG22 ILE A 21 -4.201 1.500 5.282 1.00 43.21 H new ATOM 0 HG23 ILE A 21 -4.792 3.084 4.727 1.00 43.21 H new ATOM 0 HD11 ILE A 21 -2.967 6.289 3.965 1.00 72.04 H new ATOM 0 HD12 ILE A 21 -4.198 5.005 3.928 1.00 72.04 H new ATOM 0 HD13 ILE A 21 -3.757 5.770 5.473 1.00 72.04 H new ATOM 311 N CYS A 22 -3.351 1.120 7.710 1.00 72.30 N ATOM 312 CA CYS A 22 -2.843 0.028 8.537 1.00 35.13 C ATOM 313 C CYS A 22 -2.628 -1.067 7.575 1.00 74.11 C ATOM 314 O CYS A 22 -3.108 -1.019 6.447 1.00 33.02 O ATOM 315 CB CYS A 22 -3.890 -0.511 9.565 1.00 13.24 C ATOM 316 SG CYS A 22 -4.517 0.758 10.723 1.00 42.42 S ATOM 0 H CYS A 22 -4.090 0.879 7.049 1.00 72.30 H new ATOM 0 HA CYS A 22 -1.972 0.368 9.098 1.00 35.13 H new ATOM 0 HB2 CYS A 22 -4.732 -0.939 9.020 1.00 13.24 H new ATOM 0 HB3 CYS A 22 -3.437 -1.320 10.139 1.00 13.24 H new ATOM 0 HG CYS A 22 -5.379 0.218 11.533 1.00 42.42 H new ATOM 321 N VAL A 23 -1.762 -2.005 7.946 1.00 65.11 N ATOM 322 CA VAL A 23 -1.305 -2.972 7.009 1.00 24.23 C ATOM 323 C VAL A 23 -1.048 -4.228 7.782 1.00 2.22 C ATOM 324 O VAL A 23 -1.121 -4.240 9.013 1.00 0.33 O ATOM 325 CB VAL A 23 -0.025 -2.556 6.276 1.00 31.43 C ATOM 326 CG1 VAL A 23 -0.383 -1.500 5.203 1.00 53.24 C ATOM 327 CG2 VAL A 23 1.027 -2.052 7.299 1.00 21.01 C ATOM 0 H VAL A 23 -1.377 -2.099 8.886 1.00 65.11 H new ATOM 0 HA VAL A 23 -2.064 -3.097 6.237 1.00 24.23 H new ATOM 0 HB VAL A 23 0.424 -3.406 5.763 1.00 31.43 H new ATOM 0 HG11 VAL A 23 0.521 -1.197 4.675 1.00 53.24 H new ATOM 0 HG12 VAL A 23 -1.091 -1.928 4.494 1.00 53.24 H new ATOM 0 HG13 VAL A 23 -0.831 -0.630 5.684 1.00 53.24 H new ATOM 0 HG21 VAL A 23 1.935 -1.758 6.772 1.00 21.01 H new ATOM 0 HG22 VAL A 23 0.627 -1.194 7.840 1.00 21.01 H new ATOM 0 HG23 VAL A 23 1.259 -2.850 8.005 1.00 21.01 H new ATOM 337 N THR A 24 -0.778 -5.318 7.062 1.00 52.25 N ATOM 338 CA THR A 24 -0.560 -6.577 7.685 1.00 64.11 C ATOM 339 C THR A 24 0.065 -7.443 6.621 1.00 41.22 C ATOM 340 O THR A 24 0.086 -7.064 5.444 1.00 65.34 O ATOM 341 CB THR A 24 -1.865 -7.206 8.237 1.00 43.35 C ATOM 342 OG1 THR A 24 -1.652 -8.488 8.846 1.00 13.24 O ATOM 343 CG2 THR A 24 -2.933 -7.299 7.117 1.00 43.35 C ATOM 0 H THR A 24 -0.710 -5.330 6.044 1.00 52.25 H new ATOM 0 HA THR A 24 0.084 -6.472 8.558 1.00 64.11 H new ATOM 0 HB THR A 24 -2.228 -6.546 9.025 1.00 43.35 H new ATOM 0 HG1 THR A 24 -2.505 -8.838 9.178 1.00 13.24 H new ATOM 0 HG21 THR A 24 -3.844 -7.743 7.519 1.00 43.35 H new ATOM 0 HG22 THR A 24 -3.152 -6.300 6.739 1.00 43.35 H new ATOM 0 HG23 THR A 24 -2.555 -7.920 6.305 1.00 43.35 H new ATOM 351 N GLY A 25 0.596 -8.614 7.026 1.00 34.44 N ATOM 352 CA GLY A 25 1.226 -9.516 6.104 1.00 42.42 C ATOM 353 C GLY A 25 2.672 -9.175 6.053 1.00 54.13 C ATOM 354 O GLY A 25 3.261 -8.751 7.063 1.00 42.24 O ATOM 0 H GLY A 25 0.589 -8.937 7.993 1.00 34.44 H new ATOM 0 HA2 GLY A 25 1.088 -10.549 6.425 1.00 42.42 H new ATOM 0 HA3 GLY A 25 0.777 -9.427 5.115 1.00 42.42 H new ATOM 358 N GLY A 26 3.282 -9.323 4.859 1.00 11.43 N ATOM 359 CA GLY A 26 4.632 -8.880 4.656 1.00 64.54 C ATOM 360 C GLY A 26 5.527 -10.057 4.556 1.00 41.33 C ATOM 361 O GLY A 26 5.858 -10.508 3.479 1.00 71.15 O ATOM 0 H GLY A 26 2.845 -9.746 4.040 1.00 11.43 H new ATOM 0 HA2 GLY A 26 4.697 -8.282 3.747 1.00 64.54 H new ATOM 0 HA3 GLY A 26 4.945 -8.241 5.482 1.00 64.54 H new ATOM 365 N VAL A 27 5.987 -10.566 5.709 1.00 62.13 N ATOM 366 CA VAL A 27 7.089 -11.525 5.753 1.00 72.10 C ATOM 367 C VAL A 27 6.684 -12.925 5.287 1.00 33.31 C ATOM 368 O VAL A 27 7.360 -13.898 5.597 1.00 44.03 O ATOM 369 CB VAL A 27 7.817 -11.596 7.080 1.00 44.02 C ATOM 370 CG1 VAL A 27 9.325 -11.532 6.755 1.00 22.32 C ATOM 371 CG2 VAL A 27 7.329 -10.447 7.987 1.00 71.24 C ATOM 0 H VAL A 27 5.607 -10.325 6.624 1.00 62.13 H new ATOM 0 HA VAL A 27 7.803 -11.120 5.036 1.00 72.10 H new ATOM 0 HB VAL A 27 7.618 -12.516 7.630 1.00 44.02 H new ATOM 0 HG11 VAL A 27 9.899 -11.580 7.680 1.00 22.32 H new ATOM 0 HG12 VAL A 27 9.596 -12.373 6.116 1.00 22.32 H new ATOM 0 HG13 VAL A 27 9.547 -10.598 6.238 1.00 22.32 H new ATOM 0 HG21 VAL A 27 7.849 -10.493 8.944 1.00 71.24 H new ATOM 0 HG22 VAL A 27 7.536 -9.491 7.506 1.00 71.24 H new ATOM 0 HG23 VAL A 27 6.256 -10.545 8.152 1.00 71.24 H new ATOM 381 N ASN A 28 5.551 -13.030 4.568 1.00 5.21 N ATOM 382 CA ASN A 28 5.051 -14.299 3.977 1.00 64.14 C ATOM 383 C ASN A 28 4.235 -15.013 5.017 1.00 22.51 C ATOM 384 O ASN A 28 3.747 -16.122 4.801 1.00 13.33 O ATOM 385 CB ASN A 28 6.159 -15.245 3.405 1.00 43.43 C ATOM 386 CG ASN A 28 5.529 -16.270 2.468 1.00 44.42 C ATOM 387 OD1 ASN A 28 4.901 -15.910 1.463 1.00 51.04 O ATOM 388 ND2 ASN A 28 5.699 -17.568 2.775 1.00 12.24 N ATOM 0 H ASN A 28 4.946 -12.232 4.375 1.00 5.21 H new ATOM 0 HA ASN A 28 4.450 -14.028 3.109 1.00 64.14 H new ATOM 0 HB2 ASN A 28 6.908 -14.661 2.870 1.00 43.43 H new ATOM 0 HB3 ASN A 28 6.674 -15.752 4.221 1.00 43.43 H new ATOM 0 HD21 ASN A 28 5.305 -18.290 2.172 1.00 12.24 H new ATOM 0 HD22 ASN A 28 6.222 -17.830 3.611 1.00 12.24 H new ATOM 395 N THR A 29 4.036 -14.306 6.146 1.00 72.41 N ATOM 396 CA THR A 29 2.985 -14.529 7.138 1.00 14.35 C ATOM 397 C THR A 29 1.592 -14.744 6.465 1.00 65.24 C ATOM 398 O THR A 29 1.488 -14.988 5.287 1.00 65.13 O ATOM 399 CB THR A 29 2.919 -13.389 8.155 1.00 75.33 C ATOM 400 OG1 THR A 29 2.803 -12.130 7.484 1.00 42.23 O ATOM 401 CG2 THR A 29 4.232 -13.404 8.967 1.00 70.24 C ATOM 0 H THR A 29 4.640 -13.524 6.397 1.00 72.41 H new ATOM 0 HA THR A 29 3.245 -15.443 7.672 1.00 14.35 H new ATOM 0 HB THR A 29 2.053 -13.522 8.803 1.00 75.33 H new ATOM 0 HG1 THR A 29 2.760 -11.409 8.146 1.00 42.23 H new ATOM 0 HG21 THR A 29 4.214 -12.600 9.702 1.00 70.24 H new ATOM 0 HG22 THR A 29 4.333 -14.361 9.478 1.00 70.24 H new ATOM 0 HG23 THR A 29 5.078 -13.262 8.294 1.00 70.24 H new ATOM 409 N SER A 30 0.513 -14.728 7.297 1.00 4.24 N ATOM 410 CA SER A 30 -0.878 -15.064 6.914 1.00 62.12 C ATOM 411 C SER A 30 -1.265 -14.674 5.475 1.00 55.32 C ATOM 412 O SER A 30 -1.994 -15.418 4.817 1.00 64.31 O ATOM 413 CB SER A 30 -1.889 -14.414 7.870 1.00 31.45 C ATOM 414 OG SER A 30 -1.594 -14.800 9.222 1.00 63.34 O ATOM 0 H SER A 30 0.596 -14.473 8.281 1.00 4.24 H new ATOM 0 HA SER A 30 -0.913 -16.152 6.978 1.00 62.12 H new ATOM 0 HB2 SER A 30 -1.849 -13.329 7.774 1.00 31.45 H new ATOM 0 HB3 SER A 30 -2.902 -14.720 7.607 1.00 31.45 H new ATOM 0 HG SER A 30 -2.240 -14.382 9.830 1.00 63.34 H new ATOM 420 N VAL A 31 -0.825 -13.503 4.971 1.00 15.21 N ATOM 421 CA VAL A 31 -1.268 -13.076 3.656 1.00 54.30 C ATOM 422 C VAL A 31 -0.495 -13.861 2.592 1.00 52.33 C ATOM 423 O VAL A 31 0.690 -14.151 2.743 1.00 44.21 O ATOM 424 CB VAL A 31 -1.137 -11.598 3.416 1.00 63.11 C ATOM 425 CG1 VAL A 31 -1.925 -10.858 4.526 1.00 62.41 C ATOM 426 CG2 VAL A 31 0.352 -11.211 3.359 1.00 2.32 C ATOM 0 H VAL A 31 -0.186 -12.865 5.445 1.00 15.21 H new ATOM 0 HA VAL A 31 -2.336 -13.286 3.595 1.00 54.30 H new ATOM 0 HB VAL A 31 -1.562 -11.307 2.456 1.00 63.11 H new ATOM 0 HG11 VAL A 31 -1.845 -9.782 4.373 1.00 62.41 H new ATOM 0 HG12 VAL A 31 -2.974 -11.153 4.486 1.00 62.41 H new ATOM 0 HG13 VAL A 31 -1.512 -11.118 5.501 1.00 62.41 H new ATOM 0 HG21 VAL A 31 0.443 -10.139 3.185 1.00 2.32 H new ATOM 0 HG22 VAL A 31 0.831 -11.467 4.304 1.00 2.32 H new ATOM 0 HG23 VAL A 31 0.838 -11.753 2.548 1.00 2.32 H new ATOM 436 N ARG A 32 -1.196 -14.266 1.522 1.00 4.21 N ATOM 437 CA ARG A 32 -0.660 -15.198 0.550 1.00 52.31 C ATOM 438 C ARG A 32 0.448 -14.583 -0.265 1.00 62.14 C ATOM 439 O ARG A 32 1.503 -15.177 -0.412 1.00 4.02 O ATOM 440 CB ARG A 32 -1.741 -15.674 -0.433 1.00 61.25 C ATOM 441 CG ARG A 32 -2.890 -16.397 0.266 1.00 31.52 C ATOM 442 CD ARG A 32 -3.959 -16.892 -0.702 1.00 22.13 C ATOM 443 NE ARG A 32 -4.946 -17.707 0.086 1.00 31.04 N ATOM 444 CZ ARG A 32 -5.463 -18.886 -0.407 1.00 4.23 C ATOM 445 NH1 ARG A 32 -5.123 -19.320 -1.658 1.00 74.31 N ATOM 446 NH2 ARG A 32 -6.317 -19.628 0.363 1.00 12.01 N ATOM 0 H ARG A 32 -2.145 -13.952 1.317 1.00 4.21 H new ATOM 0 HA ARG A 32 -0.277 -16.039 1.128 1.00 52.31 H new ATOM 0 HB2 ARG A 32 -2.134 -14.816 -0.979 1.00 61.25 H new ATOM 0 HB3 ARG A 32 -1.291 -16.341 -1.168 1.00 61.25 H new ATOM 0 HG2 ARG A 32 -2.493 -17.245 0.824 1.00 31.52 H new ATOM 0 HG3 ARG A 32 -3.348 -15.724 0.991 1.00 31.52 H new ATOM 0 HD2 ARG A 32 -4.457 -16.051 -1.185 1.00 22.13 H new ATOM 0 HD3 ARG A 32 -3.510 -17.494 -1.492 1.00 22.13 H new ATOM 0 HE ARG A 32 -5.240 -17.380 1.006 1.00 31.04 H new ATOM 0 HH11 ARG A 32 -4.483 -18.771 -2.232 1.00 74.31 H new ATOM 0 HH12 ARG A 32 -5.509 -20.193 -2.017 1.00 74.31 H new ATOM 0 HH21 ARG A 32 -6.569 -19.308 1.298 1.00 12.01 H new ATOM 0 HH22 ARG A 32 -6.702 -20.501 0.002 1.00 12.01 H new ATOM 460 N HIS A 33 0.209 -13.400 -0.875 1.00 61.41 N ATOM 461 CA HIS A 33 1.158 -12.860 -1.870 1.00 51.05 C ATOM 462 C HIS A 33 2.350 -12.239 -1.181 1.00 24.23 C ATOM 463 O HIS A 33 3.210 -11.672 -1.835 1.00 75.33 O ATOM 464 CB HIS A 33 0.538 -11.789 -2.822 1.00 64.55 C ATOM 465 CG HIS A 33 -0.304 -12.399 -3.916 1.00 2.23 C ATOM 466 ND1 HIS A 33 -0.948 -11.651 -4.871 1.00 3.21 N ATOM 467 CD2 HIS A 33 -0.510 -13.694 -4.229 1.00 15.01 C ATOM 468 CE1 HIS A 33 -1.524 -12.473 -5.729 1.00 54.02 C ATOM 469 NE2 HIS A 33 -1.266 -13.721 -5.359 1.00 50.04 N ATOM 0 H HIS A 33 -0.609 -12.816 -0.702 1.00 61.41 H new ATOM 0 HA HIS A 33 1.451 -13.716 -2.478 1.00 51.05 H new ATOM 0 HB2 HIS A 33 -0.074 -11.101 -2.239 1.00 64.55 H new ATOM 0 HB3 HIS A 33 1.339 -11.201 -3.271 1.00 64.55 H new ATOM 0 HD1 HIS A 33 -0.977 -10.632 -4.911 1.00 3.21 H new ATOM 0 HD2 HIS A 33 -0.143 -14.551 -3.684 1.00 15.01 H new ATOM 0 HE1 HIS A 33 -2.108 -12.179 -6.589 1.00 54.02 H new ATOM 478 N GLY A 34 2.436 -12.351 0.157 1.00 13.11 N ATOM 479 CA GLY A 34 3.597 -11.837 0.910 1.00 64.11 C ATOM 480 C GLY A 34 3.724 -10.330 0.764 1.00 51.14 C ATOM 481 O GLY A 34 4.695 -9.744 1.187 1.00 51.04 O ATOM 0 H GLY A 34 1.721 -12.790 0.737 1.00 13.11 H new ATOM 0 HA2 GLY A 34 3.493 -12.095 1.964 1.00 64.11 H new ATOM 0 HA3 GLY A 34 4.507 -12.318 0.552 1.00 64.11 H new ATOM 485 N GLY A 35 2.744 -9.677 0.144 1.00 23.33 N ATOM 486 CA GLY A 35 2.736 -8.247 0.064 1.00 12.21 C ATOM 487 C GLY A 35 2.111 -7.772 1.310 1.00 1.14 C ATOM 488 O GLY A 35 1.689 -8.572 2.145 1.00 74.11 O ATOM 0 H GLY A 35 1.950 -10.131 -0.307 1.00 23.33 H new ATOM 0 HA2 GLY A 35 3.749 -7.857 -0.038 1.00 12.21 H new ATOM 0 HA3 GLY A 35 2.175 -7.908 -0.807 1.00 12.21 H new ATOM 492 N ILE A 36 2.018 -6.455 1.462 1.00 14.43 N ATOM 493 CA ILE A 36 1.342 -5.914 2.525 1.00 64.11 C ATOM 494 C ILE A 36 -0.040 -5.789 2.061 1.00 43.20 C ATOM 495 O ILE A 36 -0.286 -5.431 0.910 1.00 42.22 O ATOM 496 CB ILE A 36 1.920 -4.598 2.961 1.00 64.43 C ATOM 497 CG1 ILE A 36 2.257 -4.687 4.398 1.00 52.24 C ATOM 498 CG2 ILE A 36 1.012 -3.386 2.616 1.00 70.24 C ATOM 499 CD1 ILE A 36 3.245 -5.780 4.742 1.00 5.12 C ATOM 0 H ILE A 36 2.427 -5.772 0.824 1.00 14.43 H new ATOM 0 HA ILE A 36 1.416 -6.542 3.413 1.00 64.11 H new ATOM 0 HB ILE A 36 2.832 -4.406 2.396 1.00 64.43 H new ATOM 0 HG12 ILE A 36 2.665 -3.730 4.723 1.00 52.24 H new ATOM 0 HG13 ILE A 36 1.340 -4.851 4.964 1.00 52.24 H new ATOM 0 HG21 ILE A 36 1.487 -2.466 2.958 1.00 70.24 H new ATOM 0 HG22 ILE A 36 0.863 -3.338 1.537 1.00 70.24 H new ATOM 0 HG23 ILE A 36 0.048 -3.501 3.111 1.00 70.24 H new ATOM 0 HD11 ILE A 36 3.435 -5.774 5.815 1.00 5.12 H new ATOM 0 HD12 ILE A 36 2.834 -6.747 4.452 1.00 5.12 H new ATOM 0 HD13 ILE A 36 4.179 -5.608 4.207 1.00 5.12 H new ATOM 511 N TYR A 37 -0.980 -6.148 2.900 1.00 21.15 N ATOM 512 CA TYR A 37 -2.361 -6.088 2.507 1.00 52.41 C ATOM 513 C TYR A 37 -2.886 -4.973 3.312 1.00 52.20 C ATOM 514 O TYR A 37 -2.406 -4.734 4.428 1.00 40.24 O ATOM 515 CB TYR A 37 -3.199 -7.368 2.852 1.00 51.31 C ATOM 516 CG TYR A 37 -2.928 -8.486 1.834 1.00 45.33 C ATOM 517 CD1 TYR A 37 -1.610 -8.792 1.369 1.00 0.44 C ATOM 518 CD2 TYR A 37 -4.004 -9.269 1.344 1.00 52.22 C ATOM 519 CE1 TYR A 37 -1.394 -9.824 0.441 1.00 5.23 C ATOM 520 CE2 TYR A 37 -3.775 -10.313 0.426 1.00 72.34 C ATOM 521 CZ TYR A 37 -2.468 -10.590 -0.025 1.00 34.13 C ATOM 522 OH TYR A 37 -2.233 -11.653 -0.927 1.00 33.14 O ATOM 0 H TYR A 37 -0.814 -6.481 3.850 1.00 21.15 H new ATOM 0 HA TYR A 37 -2.434 -5.983 1.424 1.00 52.41 H new ATOM 0 HB2 TYR A 37 -2.948 -7.714 3.855 1.00 51.31 H new ATOM 0 HB3 TYR A 37 -4.261 -7.123 2.856 1.00 51.31 H new ATOM 0 HD1 TYR A 37 -0.770 -8.222 1.737 1.00 0.44 H new ATOM 0 HD2 TYR A 37 -5.010 -9.063 1.678 1.00 52.22 H new ATOM 0 HE1 TYR A 37 -0.395 -10.027 0.086 1.00 5.23 H new ATOM 0 HE2 TYR A 37 -4.604 -10.904 0.066 1.00 72.34 H new ATOM 0 HH TYR A 37 -3.083 -12.085 -1.152 1.00 33.14 H new ATOM 532 N VAL A 38 -3.845 -4.219 2.771 1.00 12.22 N ATOM 533 CA VAL A 38 -4.335 -3.075 3.464 1.00 54.34 C ATOM 534 C VAL A 38 -5.350 -3.566 4.469 1.00 54.43 C ATOM 535 O VAL A 38 -6.478 -3.940 4.131 1.00 4.54 O ATOM 536 CB VAL A 38 -4.960 -2.055 2.541 1.00 53.13 C ATOM 537 CG1 VAL A 38 -5.444 -0.851 3.368 1.00 64.52 C ATOM 538 CG2 VAL A 38 -3.897 -1.663 1.484 1.00 53.34 C ATOM 0 H VAL A 38 -4.279 -4.395 1.865 1.00 12.22 H new ATOM 0 HA VAL A 38 -3.502 -2.566 3.949 1.00 54.34 H new ATOM 0 HB VAL A 38 -5.832 -2.455 2.023 1.00 53.13 H new ATOM 0 HG11 VAL A 38 -5.896 -0.113 2.706 1.00 64.52 H new ATOM 0 HG12 VAL A 38 -6.182 -1.184 4.097 1.00 64.52 H new ATOM 0 HG13 VAL A 38 -4.597 -0.402 3.888 1.00 64.52 H new ATOM 0 HG21 VAL A 38 -4.318 -0.926 0.800 1.00 53.34 H new ATOM 0 HG22 VAL A 38 -3.026 -1.239 1.984 1.00 53.34 H new ATOM 0 HG23 VAL A 38 -3.598 -2.548 0.923 1.00 53.34 H new ATOM 548 N LYS A 39 -4.902 -3.603 5.731 1.00 11.42 N ATOM 549 CA LYS A 39 -5.682 -4.122 6.830 1.00 14.12 C ATOM 550 C LYS A 39 -6.811 -3.173 7.147 1.00 71.20 C ATOM 551 O LYS A 39 -7.897 -3.601 7.517 1.00 13.11 O ATOM 552 CB LYS A 39 -4.814 -4.259 8.110 1.00 61.13 C ATOM 553 CG LYS A 39 -5.427 -5.150 9.190 1.00 55.00 C ATOM 554 CD LYS A 39 -4.618 -5.156 10.490 1.00 21.32 C ATOM 555 CE LYS A 39 -5.223 -6.061 11.572 1.00 12.54 C ATOM 556 NZ LYS A 39 -4.353 -6.115 12.763 1.00 71.10 N ATOM 0 H LYS A 39 -3.979 -3.268 6.006 1.00 11.42 H new ATOM 0 HA LYS A 39 -6.063 -5.099 6.533 1.00 14.12 H new ATOM 0 HB2 LYS A 39 -3.839 -4.661 7.833 1.00 61.13 H new ATOM 0 HB3 LYS A 39 -4.643 -3.267 8.527 1.00 61.13 H new ATOM 0 HG2 LYS A 39 -6.441 -4.811 9.401 1.00 55.00 H new ATOM 0 HG3 LYS A 39 -5.504 -6.169 8.812 1.00 55.00 H new ATOM 0 HD2 LYS A 39 -3.601 -5.485 10.276 1.00 21.32 H new ATOM 0 HD3 LYS A 39 -4.550 -4.138 10.873 1.00 21.32 H new ATOM 0 HE2 LYS A 39 -6.208 -5.689 11.853 1.00 12.54 H new ATOM 0 HE3 LYS A 39 -5.364 -7.066 11.174 1.00 12.54 H new ATOM 0 HZ1 LYS A 39 -4.784 -6.733 13.480 1.00 71.10 H new ATOM 0 HZ2 LYS A 39 -3.421 -6.492 12.496 1.00 71.10 H new ATOM 0 HZ3 LYS A 39 -4.240 -5.158 13.154 1.00 71.10 H new ATOM 570 N ALA A 40 -6.582 -1.871 7.010 1.00 23.01 N ATOM 571 CA ALA A 40 -7.616 -0.929 7.347 1.00 63.13 C ATOM 572 C ALA A 40 -7.208 0.346 6.752 1.00 44.32 C ATOM 573 O ALA A 40 -6.021 0.579 6.545 1.00 72.12 O ATOM 574 CB ALA A 40 -7.803 -0.693 8.865 1.00 55.14 C ATOM 0 H ALA A 40 -5.709 -1.462 6.676 1.00 23.01 H new ATOM 0 HA ALA A 40 -8.562 -1.326 6.979 1.00 63.13 H new ATOM 0 HB1 ALA A 40 -8.602 0.031 9.025 1.00 55.14 H new ATOM 0 HB2 ALA A 40 -8.063 -1.634 9.350 1.00 55.14 H new ATOM 0 HB3 ALA A 40 -6.876 -0.309 9.291 1.00 55.14 H new ATOM 580 N VAL A 41 -8.185 1.207 6.453 1.00 4.42 N ATOM 581 CA VAL A 41 -7.905 2.516 5.975 1.00 45.21 C ATOM 582 C VAL A 41 -8.766 3.387 6.832 1.00 64.14 C ATOM 583 O VAL A 41 -9.904 3.021 7.122 1.00 31.33 O ATOM 584 CB VAL A 41 -8.322 2.734 4.510 1.00 24.23 C ATOM 585 CG1 VAL A 41 -7.745 4.075 4.013 1.00 32.14 C ATOM 586 CG2 VAL A 41 -7.830 1.546 3.669 1.00 50.02 C ATOM 0 H VAL A 41 -9.179 0.995 6.543 1.00 4.42 H new ATOM 0 HA VAL A 41 -6.835 2.718 6.019 1.00 45.21 H new ATOM 0 HB VAL A 41 -9.407 2.785 4.417 1.00 24.23 H new ATOM 0 HG11 VAL A 41 -8.037 4.235 2.975 1.00 32.14 H new ATOM 0 HG12 VAL A 41 -8.132 4.888 4.628 1.00 32.14 H new ATOM 0 HG13 VAL A 41 -6.658 4.052 4.084 1.00 32.14 H new ATOM 0 HG21 VAL A 41 -8.121 1.691 2.629 1.00 50.02 H new ATOM 0 HG22 VAL A 41 -6.744 1.478 3.736 1.00 50.02 H new ATOM 0 HG23 VAL A 41 -8.275 0.625 4.045 1.00 50.02 H new ATOM 596 N ILE A 42 -8.249 4.543 7.265 1.00 3.21 N ATOM 597 CA ILE A 42 -9.057 5.499 8.000 1.00 54.11 C ATOM 598 C ILE A 42 -9.945 6.183 6.975 1.00 10.04 C ATOM 599 O ILE A 42 -9.590 6.271 5.799 1.00 50.03 O ATOM 600 CB ILE A 42 -8.248 6.546 8.812 1.00 14.24 C ATOM 601 CG1 ILE A 42 -7.514 7.604 7.928 1.00 41.52 C ATOM 602 CG2 ILE A 42 -7.309 5.781 9.758 1.00 72.22 C ATOM 603 CD1 ILE A 42 -6.540 7.018 6.931 1.00 73.12 C ATOM 0 H ILE A 42 -7.281 4.830 7.116 1.00 3.21 H new ATOM 0 HA ILE A 42 -9.626 4.961 8.759 1.00 54.11 H new ATOM 0 HB ILE A 42 -8.938 7.156 9.395 1.00 14.24 H new ATOM 0 HG12 ILE A 42 -8.259 8.189 7.389 1.00 41.52 H new ATOM 0 HG13 ILE A 42 -6.977 8.294 8.579 1.00 41.52 H new ATOM 0 HG21 ILE A 42 -6.725 6.491 10.344 1.00 72.22 H new ATOM 0 HG22 ILE A 42 -7.898 5.155 10.428 1.00 72.22 H new ATOM 0 HG23 ILE A 42 -6.636 5.153 9.174 1.00 72.22 H new ATOM 0 HD11 ILE A 42 -6.076 7.822 6.360 1.00 73.12 H new ATOM 0 HD12 ILE A 42 -5.770 6.458 7.461 1.00 73.12 H new ATOM 0 HD13 ILE A 42 -7.071 6.351 6.252 1.00 73.12 H new ATOM 615 N PRO A 43 -11.134 6.653 7.391 1.00 20.41 N ATOM 616 CA PRO A 43 -12.014 7.375 6.499 1.00 33.22 C ATOM 617 C PRO A 43 -11.425 8.713 6.367 1.00 45.23 C ATOM 618 O PRO A 43 -10.505 9.028 7.134 1.00 42.24 O ATOM 619 CB PRO A 43 -13.310 7.513 7.295 1.00 12.21 C ATOM 620 CG PRO A 43 -12.792 7.657 8.723 1.00 34.45 C ATOM 621 CD PRO A 43 -11.661 6.601 8.762 1.00 61.42 C ATOM 0 HA PRO A 43 -12.164 6.908 5.525 1.00 33.22 H new ATOM 0 HB2 PRO A 43 -13.890 8.381 6.982 1.00 12.21 H new ATOM 0 HB3 PRO A 43 -13.954 6.641 7.181 1.00 12.21 H new ATOM 0 HG2 PRO A 43 -12.419 8.662 8.923 1.00 34.45 H new ATOM 0 HG3 PRO A 43 -13.567 7.452 9.461 1.00 34.45 H new ATOM 0 HD2 PRO A 43 -10.898 6.849 9.500 1.00 61.42 H new ATOM 0 HD3 PRO A 43 -12.039 5.610 9.015 1.00 61.42 H new ATOM 629 N GLN A 44 -11.988 9.555 5.494 1.00 20.32 N ATOM 630 CA GLN A 44 -11.673 10.964 5.493 1.00 1.42 C ATOM 631 C GLN A 44 -10.168 11.160 5.510 1.00 5.32 C ATOM 632 O GLN A 44 -9.613 11.869 6.360 1.00 54.33 O ATOM 633 CB GLN A 44 -12.338 11.681 6.693 1.00 53.43 C ATOM 634 CG GLN A 44 -13.867 11.787 6.543 1.00 31.44 C ATOM 635 CD GLN A 44 -14.165 12.541 5.247 1.00 34.11 C ATOM 636 OE1 GLN A 44 -13.550 13.582 4.964 1.00 43.13 O ATOM 637 NE2 GLN A 44 -15.094 12.030 4.441 1.00 12.23 N ATOM 0 H GLN A 44 -12.663 9.273 4.783 1.00 20.32 H new ATOM 0 HA GLN A 44 -12.071 11.408 4.581 1.00 1.42 H new ATOM 0 HB2 GLN A 44 -12.103 11.141 7.610 1.00 53.43 H new ATOM 0 HB3 GLN A 44 -11.916 12.681 6.794 1.00 53.43 H new ATOM 0 HG2 GLN A 44 -14.317 10.794 6.518 1.00 31.44 H new ATOM 0 HG3 GLN A 44 -14.298 12.311 7.396 1.00 31.44 H new ATOM 0 HE21 GLN A 44 -15.581 11.173 4.703 1.00 12.23 H new ATOM 0 HE22 GLN A 44 -15.318 12.496 3.562 1.00 12.23 H new ATOM 646 N GLY A 45 -9.498 10.500 4.577 1.00 2.31 N ATOM 647 CA GLY A 45 -8.067 10.525 4.513 1.00 23.10 C ATOM 648 C GLY A 45 -7.794 10.347 3.089 1.00 11.33 C ATOM 649 O GLY A 45 -8.705 10.070 2.338 1.00 1.33 O ATOM 0 H GLY A 45 -9.941 9.937 3.851 1.00 2.31 H new ATOM 0 HA2 GLY A 45 -7.664 11.466 4.886 1.00 23.10 H new ATOM 0 HA3 GLY A 45 -7.623 9.729 5.111 1.00 23.10 H new ATOM 653 N ALA A 46 -6.533 10.502 2.662 1.00 72.23 N ATOM 654 CA ALA A 46 -6.235 10.543 1.239 1.00 40.13 C ATOM 655 C ALA A 46 -6.542 9.200 0.640 1.00 5.24 C ATOM 656 O ALA A 46 -7.283 9.106 -0.311 1.00 11.24 O ATOM 657 CB ALA A 46 -4.780 10.892 0.927 1.00 25.33 C ATOM 0 H ALA A 46 -5.723 10.599 3.274 1.00 72.23 H new ATOM 0 HA ALA A 46 -6.853 11.333 0.812 1.00 40.13 H new ATOM 0 HB1 ALA A 46 -4.632 10.904 -0.153 1.00 25.33 H new ATOM 0 HB2 ALA A 46 -4.546 11.875 1.336 1.00 25.33 H new ATOM 0 HB3 ALA A 46 -4.123 10.147 1.375 1.00 25.33 H new ATOM 663 N ALA A 47 -5.971 8.123 1.227 1.00 51.42 N ATOM 664 CA ALA A 47 -6.131 6.769 0.680 1.00 43.11 C ATOM 665 C ALA A 47 -7.599 6.427 0.473 1.00 62.31 C ATOM 666 O ALA A 47 -7.987 6.012 -0.623 1.00 1.11 O ATOM 667 CB ALA A 47 -5.529 5.701 1.606 1.00 71.33 C ATOM 0 H ALA A 47 -5.401 8.171 2.072 1.00 51.42 H new ATOM 0 HA ALA A 47 -5.603 6.767 -0.274 1.00 43.11 H new ATOM 0 HB1 ALA A 47 -5.669 4.715 1.163 1.00 71.33 H new ATOM 0 HB2 ALA A 47 -4.464 5.892 1.737 1.00 71.33 H new ATOM 0 HB3 ALA A 47 -6.026 5.738 2.575 1.00 71.33 H new ATOM 673 N GLU A 48 -8.440 6.626 1.499 1.00 52.33 N ATOM 674 CA GLU A 48 -9.854 6.291 1.394 1.00 54.25 C ATOM 675 C GLU A 48 -10.546 7.253 0.443 1.00 70.21 C ATOM 676 O GLU A 48 -11.205 6.829 -0.501 1.00 34.53 O ATOM 677 CB GLU A 48 -10.568 6.350 2.766 1.00 41.35 C ATOM 678 CG GLU A 48 -12.070 6.054 2.717 1.00 54.41 C ATOM 679 CD GLU A 48 -12.288 4.685 2.091 1.00 31.53 C ATOM 680 OE1 GLU A 48 -11.668 3.701 2.543 1.00 73.44 O ATOM 681 OE2 GLU A 48 -13.078 4.581 1.132 1.00 70.14 O ATOM 0 H GLU A 48 -8.162 7.014 2.400 1.00 52.33 H new ATOM 0 HA GLU A 48 -9.915 5.270 1.017 1.00 54.25 H new ATOM 0 HB2 GLU A 48 -10.092 5.637 3.439 1.00 41.35 H new ATOM 0 HB3 GLU A 48 -10.420 7.341 3.195 1.00 41.35 H new ATOM 0 HG2 GLU A 48 -12.491 6.079 3.722 1.00 54.41 H new ATOM 0 HG3 GLU A 48 -12.585 6.819 2.136 1.00 54.41 H new ATOM 688 N SER A 49 -10.419 8.569 0.689 1.00 45.12 N ATOM 689 CA SER A 49 -11.164 9.579 -0.063 1.00 44.14 C ATOM 690 C SER A 49 -10.804 9.527 -1.538 1.00 0.34 C ATOM 691 O SER A 49 -11.643 9.812 -2.396 1.00 70.11 O ATOM 692 CB SER A 49 -10.895 11.009 0.452 1.00 44.34 C ATOM 693 OG SER A 49 -11.321 11.116 1.821 1.00 22.51 O ATOM 0 H SER A 49 -9.804 8.953 1.406 1.00 45.12 H new ATOM 0 HA SER A 49 -12.220 9.347 0.078 1.00 44.14 H new ATOM 0 HB2 SER A 49 -9.833 11.242 0.372 1.00 44.34 H new ATOM 0 HB3 SER A 49 -11.428 11.734 -0.163 1.00 44.34 H new ATOM 0 HG SER A 49 -10.557 10.962 2.414 1.00 22.51 H new ATOM 699 N ASP A 50 -9.563 9.136 -1.864 1.00 52.35 N ATOM 700 CA ASP A 50 -9.132 9.095 -3.259 1.00 44.14 C ATOM 701 C ASP A 50 -9.658 7.795 -3.828 1.00 12.22 C ATOM 702 O ASP A 50 -10.109 7.718 -4.971 1.00 25.21 O ATOM 703 CB ASP A 50 -7.591 9.123 -3.428 1.00 60.32 C ATOM 704 CG ASP A 50 -7.235 9.643 -4.822 1.00 42.14 C ATOM 705 OD1 ASP A 50 -7.919 9.303 -5.801 1.00 21.52 O ATOM 706 OD2 ASP A 50 -6.271 10.421 -4.935 1.00 65.33 O ATOM 0 H ASP A 50 -8.854 8.849 -1.189 1.00 52.35 H new ATOM 0 HA ASP A 50 -9.514 9.979 -3.770 1.00 44.14 H new ATOM 0 HB2 ASP A 50 -7.143 9.761 -2.666 1.00 60.32 H new ATOM 0 HB3 ASP A 50 -7.182 8.123 -3.287 1.00 60.32 H new ATOM 711 N GLY A 51 -9.675 6.739 -2.986 1.00 5.42 N ATOM 712 CA GLY A 51 -10.266 5.472 -3.374 1.00 65.42 C ATOM 713 C GLY A 51 -9.310 4.707 -4.219 1.00 44.20 C ATOM 714 O GLY A 51 -9.715 3.834 -4.985 1.00 52.33 O ATOM 0 H GLY A 51 -9.285 6.753 -2.043 1.00 5.42 H new ATOM 0 HA2 GLY A 51 -10.524 4.894 -2.487 1.00 65.42 H new ATOM 0 HA3 GLY A 51 -11.192 5.645 -3.922 1.00 65.42 H new ATOM 718 N ARG A 52 -8.000 5.011 -4.111 1.00 24.42 N ATOM 719 CA ARG A 52 -7.003 4.304 -4.892 1.00 30.32 C ATOM 720 C ARG A 52 -6.500 3.168 -4.050 1.00 33.13 C ATOM 721 O ARG A 52 -5.603 2.454 -4.443 1.00 22.03 O ATOM 722 CB ARG A 52 -5.784 5.199 -5.162 1.00 51.12 C ATOM 723 CG ARG A 52 -6.116 6.538 -5.822 1.00 32.11 C ATOM 724 CD ARG A 52 -6.544 6.426 -7.285 1.00 64.24 C ATOM 725 NE ARG A 52 -6.890 7.810 -7.757 1.00 43.13 N ATOM 726 CZ ARG A 52 -6.841 8.150 -9.086 1.00 10.20 C ATOM 727 NH1 ARG A 52 -6.579 7.199 -10.022 1.00 63.32 N ATOM 728 NH2 ARG A 52 -7.057 9.439 -9.461 1.00 53.25 N ATOM 0 H ARG A 52 -7.626 5.733 -3.495 1.00 24.42 H new ATOM 0 HA ARG A 52 -7.452 3.985 -5.833 1.00 30.32 H new ATOM 0 HB2 ARG A 52 -5.273 5.390 -4.218 1.00 51.12 H new ATOM 0 HB3 ARG A 52 -5.085 4.657 -5.799 1.00 51.12 H new ATOM 0 HG2 ARG A 52 -6.914 7.021 -5.258 1.00 32.11 H new ATOM 0 HG3 ARG A 52 -5.243 7.188 -5.759 1.00 32.11 H new ATOM 0 HD2 ARG A 52 -5.741 6.004 -7.889 1.00 64.24 H new ATOM 0 HD3 ARG A 52 -7.402 5.761 -7.385 1.00 64.24 H new ATOM 0 HE ARG A 52 -7.168 8.514 -7.073 1.00 43.13 H new ATOM 0 HH11 ARG A 52 -6.419 6.233 -9.737 1.00 63.32 H new ATOM 0 HH12 ARG A 52 -6.543 7.452 -11.010 1.00 63.32 H new ATOM 0 HH21 ARG A 52 -7.255 10.149 -8.756 1.00 53.25 H new ATOM 0 HH22 ARG A 52 -7.021 9.696 -10.447 1.00 53.25 H new ATOM 742 N ILE A 53 -7.056 3.036 -2.851 1.00 11.55 N ATOM 743 CA ILE A 53 -6.584 2.102 -1.892 1.00 71.02 C ATOM 744 C ILE A 53 -7.821 1.658 -1.218 1.00 23.13 C ATOM 745 O ILE A 53 -8.732 2.465 -0.979 1.00 73.03 O ATOM 746 CB ILE A 53 -5.624 2.739 -0.869 1.00 24.34 C ATOM 747 CG1 ILE A 53 -4.247 2.944 -1.517 1.00 61.15 C ATOM 748 CG2 ILE A 53 -5.515 1.871 0.402 1.00 32.44 C ATOM 749 CD1 ILE A 53 -3.340 3.895 -0.753 1.00 35.12 C ATOM 0 H ILE A 53 -7.853 3.589 -2.535 1.00 11.55 H new ATOM 0 HA ILE A 53 -6.013 1.298 -2.356 1.00 71.02 H new ATOM 0 HB ILE A 53 -6.020 3.709 -0.567 1.00 24.34 H new ATOM 0 HG12 ILE A 53 -3.751 1.977 -1.606 1.00 61.15 H new ATOM 0 HG13 ILE A 53 -4.386 3.325 -2.529 1.00 61.15 H new ATOM 0 HG21 ILE A 53 -4.831 2.343 1.108 1.00 32.44 H new ATOM 0 HG22 ILE A 53 -6.499 1.772 0.861 1.00 32.44 H new ATOM 0 HG23 ILE A 53 -5.138 0.883 0.137 1.00 32.44 H new ATOM 0 HD11 ILE A 53 -2.387 3.987 -1.274 1.00 35.12 H new ATOM 0 HD12 ILE A 53 -3.813 4.875 -0.687 1.00 35.12 H new ATOM 0 HD13 ILE A 53 -3.168 3.506 0.251 1.00 35.12 H new ATOM 761 N HIS A 54 -7.895 0.366 -0.935 1.00 41.24 N ATOM 762 CA HIS A 54 -9.048 -0.192 -0.319 1.00 22.24 C ATOM 763 C HIS A 54 -8.561 -1.229 0.584 1.00 14.13 C ATOM 764 O HIS A 54 -7.440 -1.696 0.443 1.00 72.13 O ATOM 765 CB HIS A 54 -9.988 -0.898 -1.298 1.00 2.40 C ATOM 766 CG HIS A 54 -10.374 -0.059 -2.469 1.00 23.34 C ATOM 767 ND1 HIS A 54 -11.086 1.103 -2.353 1.00 61.14 N ATOM 768 CD2 HIS A 54 -10.119 -0.245 -3.770 1.00 13.41 C ATOM 769 CE1 HIS A 54 -11.255 1.602 -3.571 1.00 21.34 C ATOM 770 NE2 HIS A 54 -10.674 0.790 -4.443 1.00 63.15 N ATOM 0 H HIS A 54 -7.153 -0.306 -1.132 1.00 41.24 H new ATOM 0 HA HIS A 54 -9.600 0.620 0.154 1.00 22.24 H new ATOM 0 HB2 HIS A 54 -9.508 -1.808 -1.657 1.00 2.40 H new ATOM 0 HB3 HIS A 54 -10.890 -1.202 -0.767 1.00 2.40 H new ATOM 0 HD2 HIS A 54 -9.571 -1.069 -4.203 1.00 13.41 H new ATOM 0 HE1 HIS A 54 -11.778 2.516 -3.811 1.00 21.34 H new ATOM 0 HE2 HIS A 54 -10.649 0.923 -5.454 1.00 63.15 H new ATOM 779 N LYS A 55 -9.415 -1.645 1.535 1.00 1.32 N ATOM 780 CA LYS A 55 -9.126 -2.784 2.351 1.00 2.12 C ATOM 781 C LYS A 55 -9.153 -3.987 1.458 1.00 61.22 C ATOM 782 O LYS A 55 -10.027 -4.114 0.608 1.00 32.34 O ATOM 783 CB LYS A 55 -10.172 -3.015 3.452 1.00 35.35 C ATOM 784 CG LYS A 55 -10.229 -1.881 4.481 1.00 12.03 C ATOM 785 CD LYS A 55 -11.394 -2.016 5.469 1.00 31.34 C ATOM 786 CE LYS A 55 -11.442 -3.377 6.195 1.00 4.01 C ATOM 787 NZ LYS A 55 -12.589 -3.432 7.123 1.00 62.31 N ATOM 0 H LYS A 55 -10.306 -1.193 1.740 1.00 1.32 H new ATOM 0 HA LYS A 55 -8.162 -2.616 2.832 1.00 2.12 H new ATOM 0 HB2 LYS A 55 -11.154 -3.129 2.993 1.00 35.35 H new ATOM 0 HB3 LYS A 55 -9.949 -3.951 3.965 1.00 35.35 H new ATOM 0 HG2 LYS A 55 -9.292 -1.857 5.037 1.00 12.03 H new ATOM 0 HG3 LYS A 55 -10.314 -0.929 3.958 1.00 12.03 H new ATOM 0 HD2 LYS A 55 -11.322 -1.221 6.212 1.00 31.34 H new ATOM 0 HD3 LYS A 55 -12.331 -1.868 4.933 1.00 31.34 H new ATOM 0 HE2 LYS A 55 -11.520 -4.182 5.464 1.00 4.01 H new ATOM 0 HE3 LYS A 55 -10.514 -3.534 6.745 1.00 4.01 H new ATOM 0 HZ1 LYS A 55 -12.604 -4.355 7.602 1.00 62.31 H new ATOM 0 HZ2 LYS A 55 -12.499 -2.676 7.831 1.00 62.31 H new ATOM 0 HZ3 LYS A 55 -13.473 -3.304 6.590 1.00 62.31 H new ATOM 801 N GLY A 56 -8.195 -4.886 1.637 1.00 1.31 N ATOM 802 CA GLY A 56 -8.195 -6.131 0.906 1.00 73.51 C ATOM 803 C GLY A 56 -7.235 -6.006 -0.221 1.00 23.24 C ATOM 804 O GLY A 56 -6.578 -6.992 -0.594 1.00 74.31 O ATOM 0 H GLY A 56 -7.413 -4.771 2.282 1.00 1.31 H new ATOM 0 HA2 GLY A 56 -7.910 -6.956 1.559 1.00 73.51 H new ATOM 0 HA3 GLY A 56 -9.194 -6.352 0.532 1.00 73.51 H new ATOM 808 N ASP A 57 -7.099 -4.776 -0.795 1.00 14.20 N ATOM 809 CA ASP A 57 -6.099 -4.530 -1.829 1.00 32.33 C ATOM 810 C ASP A 57 -4.768 -4.670 -1.172 1.00 53.51 C ATOM 811 O ASP A 57 -4.647 -4.545 0.054 1.00 10.53 O ATOM 812 CB ASP A 57 -6.150 -3.107 -2.474 1.00 72.31 C ATOM 813 CG ASP A 57 -7.430 -2.928 -3.286 1.00 33.32 C ATOM 814 OD1 ASP A 57 -8.063 -3.947 -3.672 1.00 32.12 O ATOM 815 OD2 ASP A 57 -7.807 -1.772 -3.537 1.00 24.43 O ATOM 0 H ASP A 57 -7.667 -3.965 -0.552 1.00 14.20 H new ATOM 0 HA ASP A 57 -6.290 -5.239 -2.635 1.00 32.33 H new ATOM 0 HB2 ASP A 57 -6.099 -2.347 -1.694 1.00 72.31 H new ATOM 0 HB3 ASP A 57 -5.282 -2.963 -3.117 1.00 72.31 H new ATOM 820 N ARG A 58 -3.752 -4.995 -1.957 1.00 72.34 N ATOM 821 CA ARG A 58 -2.477 -5.279 -1.414 1.00 15.15 C ATOM 822 C ARG A 58 -1.484 -4.456 -2.159 1.00 3.13 C ATOM 823 O ARG A 58 -1.674 -4.142 -3.325 1.00 21.33 O ATOM 824 CB ARG A 58 -2.072 -6.792 -1.463 1.00 15.21 C ATOM 825 CG ARG A 58 -2.125 -7.480 -2.844 1.00 65.54 C ATOM 826 CD ARG A 58 -3.545 -7.724 -3.427 1.00 51.22 C ATOM 827 NE ARG A 58 -4.271 -8.796 -2.651 1.00 52.21 N ATOM 828 CZ ARG A 58 -4.611 -10.006 -3.258 1.00 61.24 C ATOM 829 NH1 ARG A 58 -4.034 -10.380 -4.445 1.00 72.43 N ATOM 830 NH2 ARG A 58 -5.525 -10.817 -2.677 1.00 60.04 N ATOM 0 H ARG A 58 -3.809 -5.063 -2.973 1.00 72.34 H new ATOM 0 HA ARG A 58 -2.505 -5.033 -0.353 1.00 15.15 H new ATOM 0 HB2 ARG A 58 -1.058 -6.885 -1.075 1.00 15.21 H new ATOM 0 HB3 ARG A 58 -2.725 -7.341 -0.784 1.00 15.21 H new ATOM 0 HG2 ARG A 58 -1.562 -6.873 -3.553 1.00 65.54 H new ATOM 0 HG3 ARG A 58 -1.614 -8.440 -2.770 1.00 65.54 H new ATOM 0 HD2 ARG A 58 -4.118 -6.797 -3.398 1.00 51.22 H new ATOM 0 HD3 ARG A 58 -3.467 -8.018 -4.474 1.00 51.22 H new ATOM 0 HE ARG A 58 -4.515 -8.635 -1.674 1.00 52.21 H new ATOM 0 HH11 ARG A 58 -3.349 -9.772 -4.893 1.00 72.43 H new ATOM 0 HH12 ARG A 58 -4.290 -11.267 -4.880 1.00 72.43 H new ATOM 0 HH21 ARG A 58 -5.964 -10.544 -1.798 1.00 60.04 H new ATOM 0 HH22 ARG A 58 -5.775 -11.702 -3.118 1.00 60.04 H new ATOM 844 N VAL A 59 -0.414 -4.057 -1.462 1.00 32.52 N ATOM 845 CA VAL A 59 0.587 -3.205 -2.026 1.00 71.32 C ATOM 846 C VAL A 59 1.656 -4.113 -2.532 1.00 62.41 C ATOM 847 O VAL A 59 2.109 -5.020 -1.823 1.00 30.33 O ATOM 848 CB VAL A 59 1.185 -2.223 -1.023 1.00 73.11 C ATOM 849 CG1 VAL A 59 2.179 -1.296 -1.753 1.00 12.24 C ATOM 850 CG2 VAL A 59 0.017 -1.444 -0.365 1.00 21.00 C ATOM 0 H VAL A 59 -0.236 -4.326 -0.494 1.00 32.52 H new ATOM 0 HA VAL A 59 0.139 -2.590 -2.807 1.00 71.32 H new ATOM 0 HB VAL A 59 1.742 -2.734 -0.238 1.00 73.11 H new ATOM 0 HG11 VAL A 59 2.610 -0.592 -1.041 1.00 12.24 H new ATOM 0 HG12 VAL A 59 2.974 -1.894 -2.198 1.00 12.24 H new ATOM 0 HG13 VAL A 59 1.656 -0.747 -2.536 1.00 12.24 H new ATOM 0 HG21 VAL A 59 0.416 -0.733 0.358 1.00 21.00 H new ATOM 0 HG22 VAL A 59 -0.540 -0.907 -1.133 1.00 21.00 H new ATOM 0 HG23 VAL A 59 -0.647 -2.144 0.142 1.00 21.00 H new ATOM 860 N LEU A 60 2.054 -3.910 -3.790 1.00 51.22 N ATOM 861 CA LEU A 60 3.055 -4.747 -4.399 1.00 1.35 C ATOM 862 C LEU A 60 4.358 -4.075 -4.200 1.00 14.22 C ATOM 863 O LEU A 60 5.271 -4.648 -3.628 1.00 33.41 O ATOM 864 CB LEU A 60 2.875 -4.888 -5.914 1.00 15.31 C ATOM 865 CG LEU A 60 1.584 -5.588 -6.335 1.00 42.51 C ATOM 866 CD1 LEU A 60 1.271 -5.276 -7.760 1.00 70.12 C ATOM 867 CD2 LEU A 60 1.589 -7.103 -6.087 1.00 31.42 C ATOM 0 H LEU A 60 1.692 -3.172 -4.394 1.00 51.22 H new ATOM 0 HA LEU A 60 2.984 -5.736 -3.947 1.00 1.35 H new ATOM 0 HB2 LEU A 60 2.899 -3.896 -6.364 1.00 15.31 H new ATOM 0 HB3 LEU A 60 3.722 -5.442 -6.318 1.00 15.31 H new ATOM 0 HG LEU A 60 0.795 -5.193 -5.695 1.00 42.51 H new ATOM 0 HD11 LEU A 60 0.349 -5.780 -8.049 1.00 70.12 H new ATOM 0 HD12 LEU A 60 1.148 -4.199 -7.878 1.00 70.12 H new ATOM 0 HD13 LEU A 60 2.087 -5.620 -8.395 1.00 70.12 H new ATOM 0 HD21 LEU A 60 0.639 -7.528 -6.411 1.00 31.42 H new ATOM 0 HD22 LEU A 60 2.402 -7.561 -6.650 1.00 31.42 H new ATOM 0 HD23 LEU A 60 1.729 -7.297 -5.024 1.00 31.42 H new ATOM 879 N ALA A 61 4.492 -2.834 -4.701 1.00 63.52 N ATOM 880 CA ALA A 61 5.740 -2.132 -4.583 1.00 15.43 C ATOM 881 C ALA A 61 5.410 -0.765 -4.138 1.00 64.12 C ATOM 882 O ALA A 61 4.341 -0.264 -4.445 1.00 42.12 O ATOM 883 CB ALA A 61 6.493 -2.002 -5.924 1.00 72.12 C ATOM 0 H ALA A 61 3.753 -2.320 -5.181 1.00 63.52 H new ATOM 0 HA ALA A 61 6.380 -2.685 -3.896 1.00 15.43 H new ATOM 0 HB1 ALA A 61 7.427 -1.462 -5.766 1.00 72.12 H new ATOM 0 HB2 ALA A 61 6.710 -2.995 -6.317 1.00 72.12 H new ATOM 0 HB3 ALA A 61 5.875 -1.457 -6.637 1.00 72.12 H new ATOM 889 N VAL A 62 6.335 -0.128 -3.397 1.00 22.43 N ATOM 890 CA VAL A 62 6.160 1.234 -2.979 1.00 3.20 C ATOM 891 C VAL A 62 7.329 1.957 -3.534 1.00 12.52 C ATOM 892 O VAL A 62 8.462 1.610 -3.251 1.00 24.32 O ATOM 893 CB VAL A 62 6.168 1.425 -1.466 1.00 25.42 C ATOM 894 CG1 VAL A 62 6.038 2.937 -1.134 1.00 1.11 C ATOM 895 CG2 VAL A 62 5.030 0.584 -0.873 1.00 35.23 C ATOM 0 H VAL A 62 7.207 -0.555 -3.085 1.00 22.43 H new ATOM 0 HA VAL A 62 5.190 1.590 -3.325 1.00 3.20 H new ATOM 0 HB VAL A 62 7.105 1.087 -1.024 1.00 25.42 H new ATOM 0 HG11 VAL A 62 6.044 3.074 -0.053 1.00 1.11 H new ATOM 0 HG12 VAL A 62 6.876 3.479 -1.573 1.00 1.11 H new ATOM 0 HG13 VAL A 62 5.103 3.320 -1.543 1.00 1.11 H new ATOM 0 HG21 VAL A 62 5.015 0.704 0.210 1.00 35.23 H new ATOM 0 HG22 VAL A 62 4.078 0.916 -1.288 1.00 35.23 H new ATOM 0 HG23 VAL A 62 5.187 -0.466 -1.119 1.00 35.23 H new ATOM 905 N ASN A 63 7.057 2.990 -4.348 1.00 55.01 N ATOM 906 CA ASN A 63 8.100 3.841 -4.936 1.00 3.20 C ATOM 907 C ASN A 63 9.084 2.955 -5.714 1.00 33.54 C ATOM 908 O ASN A 63 10.282 3.230 -5.800 1.00 21.52 O ATOM 909 CB ASN A 63 8.843 4.710 -3.856 1.00 51.21 C ATOM 910 CG ASN A 63 9.891 5.632 -4.490 1.00 13.13 C ATOM 911 OD1 ASN A 63 11.053 5.624 -4.073 1.00 43.34 O ATOM 912 ND2 ASN A 63 9.497 6.442 -5.495 1.00 5.22 N ATOM 0 H ASN A 63 6.110 3.257 -4.615 1.00 55.01 H new ATOM 0 HA ASN A 63 7.627 4.549 -5.617 1.00 3.20 H new ATOM 0 HB2 ASN A 63 8.116 5.309 -3.308 1.00 51.21 H new ATOM 0 HB3 ASN A 63 9.326 4.054 -3.132 1.00 51.21 H new ATOM 0 HD21 ASN A 63 10.167 7.073 -5.934 1.00 5.22 H new ATOM 0 HD22 ASN A 63 8.529 6.423 -5.815 1.00 5.22 H new ATOM 919 N GLY A 64 8.557 1.868 -6.312 1.00 42.35 N ATOM 920 CA GLY A 64 9.326 1.039 -7.211 1.00 1.21 C ATOM 921 C GLY A 64 9.895 -0.084 -6.430 1.00 12.33 C ATOM 922 O GLY A 64 10.271 -1.124 -6.989 1.00 24.32 O ATOM 0 H GLY A 64 7.595 1.557 -6.176 1.00 42.35 H new ATOM 0 HA2 GLY A 64 8.694 0.662 -8.015 1.00 1.21 H new ATOM 0 HA3 GLY A 64 10.122 1.620 -7.677 1.00 1.21 H new ATOM 926 N VAL A 65 10.005 0.089 -5.108 1.00 32.32 N ATOM 927 CA VAL A 65 10.666 -0.826 -4.286 1.00 13.11 C ATOM 928 C VAL A 65 9.731 -1.967 -4.023 1.00 42.43 C ATOM 929 O VAL A 65 8.657 -1.778 -3.449 1.00 51.32 O ATOM 930 CB VAL A 65 11.016 -0.176 -2.959 1.00 11.11 C ATOM 931 CG1 VAL A 65 11.745 -1.173 -2.106 1.00 55.14 C ATOM 932 CG2 VAL A 65 11.836 1.103 -3.238 1.00 24.01 C ATOM 0 H VAL A 65 9.619 0.891 -4.610 1.00 32.32 H new ATOM 0 HA VAL A 65 11.581 -1.166 -4.772 1.00 13.11 H new ATOM 0 HB VAL A 65 10.125 0.124 -2.408 1.00 11.11 H new ATOM 0 HG11 VAL A 65 12.001 -0.716 -1.150 1.00 55.14 H new ATOM 0 HG12 VAL A 65 11.107 -2.040 -1.934 1.00 55.14 H new ATOM 0 HG13 VAL A 65 12.657 -1.488 -2.613 1.00 55.14 H new ATOM 0 HG21 VAL A 65 12.095 1.582 -2.294 1.00 24.01 H new ATOM 0 HG22 VAL A 65 12.748 0.841 -3.775 1.00 24.01 H new ATOM 0 HG23 VAL A 65 11.244 1.790 -3.843 1.00 24.01 H new ATOM 942 N SER A 66 10.148 -3.181 -4.455 1.00 74.43 N ATOM 943 CA SER A 66 9.437 -4.423 -4.174 1.00 65.01 C ATOM 944 C SER A 66 9.130 -4.485 -2.696 1.00 32.13 C ATOM 945 O SER A 66 10.032 -4.452 -1.864 1.00 21.02 O ATOM 946 CB SER A 66 10.253 -5.680 -4.537 1.00 42.14 C ATOM 947 OG SER A 66 10.780 -5.565 -5.865 1.00 14.12 O ATOM 0 H SER A 66 10.993 -3.313 -5.010 1.00 74.43 H new ATOM 0 HA SER A 66 8.534 -4.418 -4.785 1.00 65.01 H new ATOM 0 HB2 SER A 66 11.068 -5.811 -3.825 1.00 42.14 H new ATOM 0 HB3 SER A 66 9.621 -6.565 -4.465 1.00 42.14 H new ATOM 0 HG SER A 66 11.297 -6.368 -6.082 1.00 14.12 H new ATOM 953 N LEU A 67 7.837 -4.497 -2.353 1.00 51.21 N ATOM 954 CA LEU A 67 7.417 -4.416 -0.985 1.00 61.43 C ATOM 955 C LEU A 67 7.124 -5.819 -0.562 1.00 14.52 C ATOM 956 O LEU A 67 7.089 -6.133 0.592 1.00 73.10 O ATOM 957 CB LEU A 67 6.105 -3.596 -0.894 1.00 12.01 C ATOM 958 CG LEU A 67 5.831 -2.878 0.422 1.00 54.31 C ATOM 959 CD1 LEU A 67 5.282 -3.797 1.509 1.00 74.11 C ATOM 960 CD2 LEU A 67 7.000 -1.991 0.878 1.00 71.30 C ATOM 0 H LEU A 67 7.072 -4.563 -3.024 1.00 51.21 H new ATOM 0 HA LEU A 67 8.177 -3.943 -0.364 1.00 61.43 H new ATOM 0 HB2 LEU A 67 6.114 -2.852 -1.691 1.00 12.01 H new ATOM 0 HB3 LEU A 67 5.270 -4.268 -1.094 1.00 12.01 H new ATOM 0 HG LEU A 67 5.017 -2.182 0.218 1.00 54.31 H new ATOM 0 HD11 LEU A 67 5.109 -3.222 2.419 1.00 74.11 H new ATOM 0 HD12 LEU A 67 4.342 -4.236 1.174 1.00 74.11 H new ATOM 0 HD13 LEU A 67 6.001 -4.590 1.712 1.00 74.11 H new ATOM 0 HD21 LEU A 67 6.744 -1.507 1.820 1.00 71.30 H new ATOM 0 HD22 LEU A 67 7.890 -2.605 1.016 1.00 71.30 H new ATOM 0 HD23 LEU A 67 7.197 -1.231 0.122 1.00 71.30 H new ATOM 972 N GLU A 68 6.908 -6.699 -1.543 1.00 52.30 N ATOM 973 CA GLU A 68 6.609 -8.087 -1.273 1.00 42.01 C ATOM 974 C GLU A 68 7.788 -8.704 -0.520 1.00 54.41 C ATOM 975 O GLU A 68 8.935 -8.614 -0.962 1.00 63.32 O ATOM 976 CB GLU A 68 6.366 -8.888 -2.572 1.00 32.41 C ATOM 977 CG GLU A 68 5.155 -8.376 -3.390 1.00 13.41 C ATOM 978 CD GLU A 68 5.181 -9.042 -4.755 1.00 2.22 C ATOM 979 OE1 GLU A 68 5.068 -10.283 -4.819 1.00 1.04 O ATOM 980 OE2 GLU A 68 5.334 -8.321 -5.778 1.00 71.24 O ATOM 0 H GLU A 68 6.937 -6.462 -2.535 1.00 52.30 H new ATOM 0 HA GLU A 68 5.697 -8.130 -0.678 1.00 42.01 H new ATOM 0 HB2 GLU A 68 7.261 -8.841 -3.193 1.00 32.41 H new ATOM 0 HB3 GLU A 68 6.208 -9.937 -2.320 1.00 32.41 H new ATOM 0 HG2 GLU A 68 4.224 -8.607 -2.873 1.00 13.41 H new ATOM 0 HG3 GLU A 68 5.200 -7.292 -3.496 1.00 13.41 H new ATOM 987 N GLY A 69 7.506 -9.295 0.670 1.00 4.45 N ATOM 988 CA GLY A 69 8.543 -9.903 1.484 1.00 12.21 C ATOM 989 C GLY A 69 8.991 -8.903 2.507 1.00 42.32 C ATOM 990 O GLY A 69 9.632 -9.268 3.493 1.00 4.22 O ATOM 0 H GLY A 69 6.569 -9.353 1.069 1.00 4.45 H new ATOM 0 HA2 GLY A 69 8.164 -10.801 1.972 1.00 12.21 H new ATOM 0 HA3 GLY A 69 9.383 -10.210 0.861 1.00 12.21 H new ATOM 994 N ALA A 70 8.669 -7.602 2.305 1.00 73.33 N ATOM 995 CA ALA A 70 9.042 -6.582 3.266 1.00 64.14 C ATOM 996 C ALA A 70 8.106 -6.731 4.414 1.00 24.12 C ATOM 997 O ALA A 70 6.975 -7.153 4.243 1.00 42.01 O ATOM 998 CB ALA A 70 8.933 -5.127 2.729 1.00 2.03 C ATOM 0 H ALA A 70 8.159 -7.256 1.492 1.00 73.33 H new ATOM 0 HA ALA A 70 10.091 -6.727 3.526 1.00 64.14 H new ATOM 0 HB1 ALA A 70 9.230 -4.428 3.510 1.00 2.03 H new ATOM 0 HB2 ALA A 70 9.589 -5.007 1.867 1.00 2.03 H new ATOM 0 HB3 ALA A 70 7.904 -4.925 2.433 1.00 2.03 H new ATOM 1004 N THR A 71 8.585 -6.443 5.629 1.00 21.21 N ATOM 1005 CA THR A 71 7.799 -6.703 6.800 1.00 21.33 C ATOM 1006 C THR A 71 6.744 -5.613 6.914 1.00 51.44 C ATOM 1007 O THR A 71 6.697 -4.701 6.102 1.00 32.44 O ATOM 1008 CB THR A 71 8.639 -6.749 8.077 1.00 22.54 C ATOM 1009 OG1 THR A 71 9.193 -5.454 8.367 1.00 21.51 O ATOM 1010 CG2 THR A 71 9.799 -7.740 7.855 1.00 15.51 C ATOM 0 H THR A 71 9.503 -6.036 5.808 1.00 21.21 H new ATOM 0 HA THR A 71 7.341 -7.687 6.694 1.00 21.33 H new ATOM 0 HB THR A 71 8.008 -7.058 8.911 1.00 22.54 H new ATOM 0 HG1 THR A 71 9.726 -5.503 9.188 1.00 21.51 H new ATOM 0 HG21 THR A 71 10.413 -7.789 8.754 1.00 15.51 H new ATOM 0 HG22 THR A 71 9.396 -8.729 7.636 1.00 15.51 H new ATOM 0 HG23 THR A 71 10.410 -7.404 7.017 1.00 15.51 H new ATOM 1018 N HIS A 72 5.879 -5.700 7.946 1.00 33.43 N ATOM 1019 CA HIS A 72 4.854 -4.712 8.131 1.00 11.40 C ATOM 1020 C HIS A 72 5.504 -3.410 8.520 1.00 41.14 C ATOM 1021 O HIS A 72 5.207 -2.393 7.948 1.00 14.22 O ATOM 1022 CB HIS A 72 3.714 -5.102 9.119 1.00 62.51 C ATOM 1023 CG HIS A 72 4.083 -5.144 10.581 1.00 5.31 C ATOM 1024 ND1 HIS A 72 4.052 -4.033 11.373 1.00 61.54 N ATOM 1025 CD2 HIS A 72 4.396 -6.184 11.371 1.00 61.23 C ATOM 1026 CE1 HIS A 72 4.353 -4.385 12.611 1.00 25.54 C ATOM 1027 NE2 HIS A 72 4.558 -5.692 12.637 1.00 45.03 N ATOM 0 H HIS A 72 5.888 -6.444 8.644 1.00 33.43 H new ATOM 0 HA HIS A 72 4.336 -4.619 7.176 1.00 11.40 H new ATOM 0 HB2 HIS A 72 2.895 -4.394 8.993 1.00 62.51 H new ATOM 0 HB3 HIS A 72 3.334 -6.083 8.833 1.00 62.51 H new ATOM 0 HD2 HIS A 72 4.500 -7.214 11.065 1.00 61.23 H new ATOM 0 HE1 HIS A 72 4.420 -3.718 13.458 1.00 25.54 H new ATOM 0 HE2 HIS A 72 4.797 -6.241 13.463 1.00 45.03 H new ATOM 1036 N LYS A 73 6.457 -3.424 9.491 1.00 13.32 N ATOM 1037 CA LYS A 73 7.163 -2.192 9.870 1.00 1.01 C ATOM 1038 C LYS A 73 7.825 -1.565 8.659 1.00 23.13 C ATOM 1039 O LYS A 73 7.592 -0.401 8.372 1.00 22.13 O ATOM 1040 CB LYS A 73 8.234 -2.412 10.951 1.00 32.24 C ATOM 1041 CG LYS A 73 7.631 -2.846 12.287 1.00 42.24 C ATOM 1042 CD LYS A 73 8.669 -3.016 13.388 1.00 3.33 C ATOM 1043 CE LYS A 73 8.045 -3.304 14.766 1.00 74.31 C ATOM 1044 NZ LYS A 73 9.081 -3.352 15.808 1.00 30.30 N ATOM 0 H LYS A 73 6.741 -4.256 10.007 1.00 13.32 H new ATOM 0 HA LYS A 73 6.402 -1.530 10.282 1.00 1.01 H new ATOM 0 HB2 LYS A 73 8.940 -3.170 10.611 1.00 32.24 H new ATOM 0 HB3 LYS A 73 8.799 -1.490 11.092 1.00 32.24 H new ATOM 0 HG2 LYS A 73 6.894 -2.107 12.602 1.00 42.24 H new ATOM 0 HG3 LYS A 73 7.100 -3.788 12.149 1.00 42.24 H new ATOM 0 HD2 LYS A 73 9.341 -3.832 13.123 1.00 3.33 H new ATOM 0 HD3 LYS A 73 9.274 -2.112 13.452 1.00 3.33 H new ATOM 0 HE2 LYS A 73 7.315 -2.532 15.008 1.00 74.31 H new ATOM 0 HE3 LYS A 73 7.508 -4.252 14.736 1.00 74.31 H new ATOM 0 HZ1 LYS A 73 8.639 -3.547 16.729 1.00 30.30 H new ATOM 0 HZ2 LYS A 73 9.763 -4.105 15.585 1.00 30.30 H new ATOM 0 HZ3 LYS A 73 9.575 -2.438 15.848 1.00 30.30 H new ATOM 1058 N GLN A 74 8.666 -2.341 7.928 1.00 72.24 N ATOM 1059 CA GLN A 74 9.349 -1.824 6.748 1.00 64.11 C ATOM 1060 C GLN A 74 8.337 -1.320 5.738 1.00 1.45 C ATOM 1061 O GLN A 74 8.538 -0.280 5.132 1.00 23.22 O ATOM 1062 CB GLN A 74 10.216 -2.885 6.083 1.00 74.54 C ATOM 1063 CG GLN A 74 11.269 -3.443 7.042 1.00 63.55 C ATOM 1064 CD GLN A 74 12.270 -2.346 7.379 1.00 34.12 C ATOM 1065 OE1 GLN A 74 12.375 -1.932 8.529 1.00 14.12 O ATOM 1066 NE2 GLN A 74 13.013 -1.857 6.372 1.00 14.52 N ATOM 0 H GLN A 74 8.876 -3.315 8.144 1.00 72.24 H new ATOM 0 HA GLN A 74 9.992 -1.009 7.081 1.00 64.11 H new ATOM 0 HB2 GLN A 74 9.584 -3.698 5.724 1.00 74.54 H new ATOM 0 HB3 GLN A 74 10.710 -2.456 5.211 1.00 74.54 H new ATOM 0 HG2 GLN A 74 10.792 -3.809 7.951 1.00 63.55 H new ATOM 0 HG3 GLN A 74 11.780 -4.291 6.586 1.00 63.55 H new ATOM 0 HE21 GLN A 74 12.898 -2.226 5.428 1.00 14.52 H new ATOM 0 HE22 GLN A 74 13.692 -1.117 6.552 1.00 14.52 H new ATOM 1075 N ALA A 75 7.225 -2.059 5.563 1.00 2.31 N ATOM 1076 CA ALA A 75 6.154 -1.668 4.643 1.00 61.23 C ATOM 1077 C ALA A 75 5.716 -0.257 4.917 1.00 20.44 C ATOM 1078 O ALA A 75 5.671 0.578 4.008 1.00 75.01 O ATOM 1079 CB ALA A 75 4.905 -2.545 4.743 1.00 42.30 C ATOM 0 H ALA A 75 7.050 -2.936 6.054 1.00 2.31 H new ATOM 0 HA ALA A 75 6.583 -1.780 3.647 1.00 61.23 H new ATOM 0 HB1 ALA A 75 4.157 -2.195 4.032 1.00 42.30 H new ATOM 0 HB2 ALA A 75 5.167 -3.578 4.515 1.00 42.30 H new ATOM 0 HB3 ALA A 75 4.500 -2.488 5.754 1.00 42.30 H new ATOM 1085 N VAL A 76 5.386 0.047 6.189 1.00 71.45 N ATOM 1086 CA VAL A 76 4.846 1.344 6.512 1.00 50.31 C ATOM 1087 C VAL A 76 5.981 2.343 6.443 1.00 43.22 C ATOM 1088 O VAL A 76 5.796 3.447 5.964 1.00 34.42 O ATOM 1089 CB VAL A 76 4.178 1.417 7.882 1.00 12.12 C ATOM 1090 CG1 VAL A 76 3.439 2.760 8.002 1.00 72.43 C ATOM 1091 CG2 VAL A 76 3.202 0.247 8.000 1.00 20.12 C ATOM 0 H VAL A 76 5.488 -0.587 6.981 1.00 71.45 H new ATOM 0 HA VAL A 76 4.058 1.564 5.791 1.00 50.31 H new ATOM 0 HB VAL A 76 4.914 1.352 8.684 1.00 12.12 H new ATOM 0 HG11 VAL A 76 2.957 2.824 8.978 1.00 72.43 H new ATOM 0 HG12 VAL A 76 4.151 3.578 7.895 1.00 72.43 H new ATOM 0 HG13 VAL A 76 2.684 2.831 7.219 1.00 72.43 H new ATOM 0 HG21 VAL A 76 2.712 0.279 8.973 1.00 20.12 H new ATOM 0 HG22 VAL A 76 2.451 0.319 7.213 1.00 20.12 H new ATOM 0 HG23 VAL A 76 3.746 -0.692 7.898 1.00 20.12 H new ATOM 1101 N CYS A 77 7.207 1.949 6.935 1.00 11.55 N ATOM 1102 CA CYS A 77 8.353 2.934 6.961 1.00 2.13 C ATOM 1103 C CYS A 77 8.549 3.417 5.501 1.00 64.44 C ATOM 1104 O CYS A 77 9.057 4.466 5.224 1.00 34.05 O ATOM 1105 CB CYS A 77 9.686 2.262 7.427 1.00 3.14 C ATOM 1106 SG CYS A 77 11.118 3.410 7.435 1.00 32.31 S ATOM 0 H CYS A 77 7.421 1.020 7.297 1.00 11.55 H new ATOM 0 HA CYS A 77 8.121 3.742 7.655 1.00 2.13 H new ATOM 0 HB2 CYS A 77 9.549 1.857 8.430 1.00 3.14 H new ATOM 0 HB3 CYS A 77 9.908 1.420 6.771 1.00 3.14 H new ATOM 0 HG CYS A 77 10.921 4.356 6.565 1.00 32.31 H new ATOM 1111 N THR A 78 8.333 2.483 4.539 1.00 40.42 N ATOM 1112 CA THR A 78 8.598 2.767 3.145 1.00 71.43 C ATOM 1113 C THR A 78 7.538 3.726 2.659 1.00 31.22 C ATOM 1114 O THR A 78 7.849 4.693 1.981 1.00 1.42 O ATOM 1115 CB THR A 78 8.592 1.509 2.273 1.00 52.43 C ATOM 1116 OG1 THR A 78 9.492 0.536 2.815 1.00 31.44 O ATOM 1117 CG2 THR A 78 9.065 1.876 0.845 1.00 45.52 C ATOM 0 H THR A 78 7.980 1.544 4.722 1.00 40.42 H new ATOM 0 HA THR A 78 9.596 3.197 3.064 1.00 71.43 H new ATOM 0 HB THR A 78 7.582 1.100 2.245 1.00 52.43 H new ATOM 0 HG1 THR A 78 9.013 -0.033 3.453 1.00 31.44 H new ATOM 0 HG21 THR A 78 9.062 0.983 0.220 1.00 45.52 H new ATOM 0 HG22 THR A 78 8.392 2.619 0.418 1.00 45.52 H new ATOM 0 HG23 THR A 78 10.075 2.284 0.890 1.00 45.52 H new ATOM 1125 N LEU A 79 6.256 3.463 3.034 1.00 35.12 N ATOM 1126 CA LEU A 79 5.131 4.322 2.651 1.00 22.24 C ATOM 1127 C LEU A 79 5.325 5.684 3.256 1.00 22.51 C ATOM 1128 O LEU A 79 5.035 6.690 2.627 1.00 62.31 O ATOM 1129 CB LEU A 79 3.762 3.793 3.155 1.00 12.31 C ATOM 1130 CG LEU A 79 3.268 2.531 2.416 1.00 70.53 C ATOM 1131 CD1 LEU A 79 2.087 1.852 3.141 1.00 33.11 C ATOM 1132 CD2 LEU A 79 2.953 2.810 0.931 1.00 72.04 C ATOM 0 H LEU A 79 5.989 2.659 3.602 1.00 35.12 H new ATOM 0 HA LEU A 79 5.115 4.345 1.561 1.00 22.24 H new ATOM 0 HB2 LEU A 79 3.839 3.572 4.220 1.00 12.31 H new ATOM 0 HB3 LEU A 79 3.017 4.581 3.046 1.00 12.31 H new ATOM 0 HG LEU A 79 4.094 1.820 2.433 1.00 70.53 H new ATOM 0 HD11 LEU A 79 1.776 0.969 2.582 1.00 33.11 H new ATOM 0 HD12 LEU A 79 2.397 1.556 4.143 1.00 33.11 H new ATOM 0 HD13 LEU A 79 1.253 2.550 3.210 1.00 33.11 H new ATOM 0 HD21 LEU A 79 2.609 1.893 0.453 1.00 72.04 H new ATOM 0 HD22 LEU A 79 2.174 3.569 0.861 1.00 72.04 H new ATOM 0 HD23 LEU A 79 3.853 3.165 0.429 1.00 72.04 H new ATOM 1144 N ARG A 80 5.815 5.740 4.501 1.00 74.02 N ATOM 1145 CA ARG A 80 5.982 7.007 5.176 1.00 71.34 C ATOM 1146 C ARG A 80 7.082 7.764 4.474 1.00 15.34 C ATOM 1147 O ARG A 80 6.845 8.867 3.966 1.00 51.15 O ATOM 1148 CB ARG A 80 6.325 6.868 6.687 1.00 54.44 C ATOM 1149 CG ARG A 80 6.006 8.128 7.536 1.00 53.43 C ATOM 1150 CD ARG A 80 6.889 9.357 7.263 1.00 1.41 C ATOM 1151 NE ARG A 80 8.324 8.979 7.500 1.00 3.23 N ATOM 1152 CZ ARG A 80 9.358 9.745 6.990 1.00 63.34 C ATOM 1153 NH1 ARG A 80 9.088 10.794 6.145 1.00 30.31 N ATOM 1154 NH2 ARG A 80 10.649 9.453 7.329 1.00 72.32 N ATOM 0 H ARG A 80 6.096 4.925 5.046 1.00 74.02 H new ATOM 0 HA ARG A 80 5.030 7.537 5.132 1.00 71.34 H new ATOM 0 HB2 ARG A 80 5.774 6.021 7.096 1.00 54.44 H new ATOM 0 HB3 ARG A 80 7.386 6.637 6.787 1.00 54.44 H new ATOM 0 HG2 ARG A 80 4.966 8.405 7.364 1.00 53.43 H new ATOM 0 HG3 ARG A 80 6.096 7.866 8.590 1.00 53.43 H new ATOM 0 HD2 ARG A 80 6.753 9.700 6.238 1.00 1.41 H new ATOM 0 HD3 ARG A 80 6.602 10.181 7.916 1.00 1.41 H new ATOM 0 HE ARG A 80 8.540 8.145 8.045 1.00 3.23 H new ATOM 0 HH11 ARG A 80 8.124 11.010 5.892 1.00 30.31 H new ATOM 0 HH12 ARG A 80 9.852 11.357 5.771 1.00 30.31 H new ATOM 0 HH21 ARG A 80 10.848 8.673 7.956 1.00 72.32 H new ATOM 0 HH22 ARG A 80 11.414 10.015 6.955 1.00 72.32 H new ATOM 1168 N ASN A 81 8.315 7.169 4.437 1.00 75.25 N ATOM 1169 CA ASN A 81 9.510 7.812 3.824 1.00 31.14 C ATOM 1170 C ASN A 81 9.393 7.829 2.299 1.00 1.50 C ATOM 1171 O ASN A 81 10.302 7.406 1.567 1.00 20.34 O ATOM 1172 CB ASN A 81 10.841 7.119 4.209 1.00 43.01 C ATOM 1173 CG ASN A 81 12.015 8.017 3.791 1.00 24.45 C ATOM 1174 OD1 ASN A 81 11.928 9.254 3.839 1.00 72.24 O ATOM 1175 ND2 ASN A 81 13.130 7.404 3.384 1.00 1.53 N ATOM 0 H ASN A 81 8.501 6.245 4.826 1.00 75.25 H new ATOM 0 HA ASN A 81 9.533 8.828 4.218 1.00 31.14 H new ATOM 0 HB2 ASN A 81 10.872 6.935 5.283 1.00 43.01 H new ATOM 0 HB3 ASN A 81 10.916 6.149 3.717 1.00 43.01 H new ATOM 0 HD21 ASN A 81 13.941 7.955 3.102 1.00 1.53 H new ATOM 0 HD22 ASN A 81 13.171 6.385 3.356 1.00 1.53 H new ATOM 1182 N THR A 82 8.290 8.356 1.835 1.00 10.14 N ATOM 1183 CA THR A 82 8.066 8.656 0.476 1.00 53.41 C ATOM 1184 C THR A 82 8.222 10.142 0.372 1.00 31.21 C ATOM 1185 O THR A 82 8.558 10.824 1.355 1.00 13.24 O ATOM 1186 CB THR A 82 6.667 8.281 0.022 1.00 32.52 C ATOM 1187 OG1 THR A 82 5.694 8.661 1.014 1.00 44.34 O ATOM 1188 CG2 THR A 82 6.625 6.770 -0.189 1.00 11.34 C ATOM 0 H THR A 82 7.499 8.592 2.434 1.00 10.14 H new ATOM 0 HA THR A 82 8.759 8.096 -0.151 1.00 53.41 H new ATOM 0 HB THR A 82 6.428 8.804 -0.904 1.00 32.52 H new ATOM 0 HG1 THR A 82 5.731 8.033 1.766 1.00 44.34 H new ATOM 0 HG21 THR A 82 5.628 6.476 -0.516 1.00 11.34 H new ATOM 0 HG22 THR A 82 7.354 6.488 -0.949 1.00 11.34 H new ATOM 0 HG23 THR A 82 6.863 6.265 0.747 1.00 11.34 H new ATOM 1196 N GLY A 83 7.972 10.671 -0.816 1.00 54.24 N ATOM 1197 CA GLY A 83 8.034 12.074 -1.030 1.00 23.13 C ATOM 1198 C GLY A 83 6.679 12.632 -0.712 1.00 43.12 C ATOM 1199 O GLY A 83 5.956 12.126 0.164 1.00 75.23 O ATOM 0 H GLY A 83 7.723 10.127 -1.643 1.00 54.24 H new ATOM 0 HA2 GLY A 83 8.795 12.527 -0.395 1.00 23.13 H new ATOM 0 HA3 GLY A 83 8.308 12.294 -2.062 1.00 23.13 H new ATOM 1203 N GLN A 84 6.324 13.711 -1.415 1.00 72.00 N ATOM 1204 CA GLN A 84 5.060 14.372 -1.213 1.00 74.41 C ATOM 1205 C GLN A 84 3.946 13.433 -1.656 1.00 3.05 C ATOM 1206 O GLN A 84 3.034 13.119 -0.878 1.00 15.30 O ATOM 1207 CB GLN A 84 4.973 15.678 -2.035 1.00 54.44 C ATOM 1208 CG GLN A 84 3.720 16.509 -1.762 1.00 50.21 C ATOM 1209 CD GLN A 84 3.834 17.781 -2.589 1.00 24.14 C ATOM 1210 OE1 GLN A 84 4.867 18.454 -2.561 1.00 3.54 O ATOM 1211 NE2 GLN A 84 2.791 18.118 -3.353 1.00 43.43 N ATOM 0 H GLN A 84 6.910 14.138 -2.132 1.00 72.00 H new ATOM 0 HA GLN A 84 4.962 14.625 -0.157 1.00 74.41 H new ATOM 0 HB2 GLN A 84 5.852 16.287 -1.823 1.00 54.44 H new ATOM 0 HB3 GLN A 84 5.006 15.429 -3.096 1.00 54.44 H new ATOM 0 HG2 GLN A 84 2.823 15.953 -2.034 1.00 50.21 H new ATOM 0 HG3 GLN A 84 3.639 16.746 -0.701 1.00 50.21 H new ATOM 0 HE21 GLN A 84 1.951 17.539 -3.353 1.00 43.43 H new ATOM 0 HE22 GLN A 84 2.835 18.954 -3.936 1.00 43.43 H new ATOM 1220 N VAL A 85 4.015 12.952 -2.909 1.00 71.21 N ATOM 1221 CA VAL A 85 3.032 12.036 -3.420 1.00 12.34 C ATOM 1222 C VAL A 85 3.627 10.663 -3.314 1.00 74.35 C ATOM 1223 O VAL A 85 4.844 10.481 -3.467 1.00 55.05 O ATOM 1224 CB VAL A 85 2.698 12.358 -4.878 1.00 22.33 C ATOM 1225 CG1 VAL A 85 1.754 11.306 -5.505 1.00 70.33 C ATOM 1226 CG2 VAL A 85 2.081 13.759 -4.883 1.00 21.22 C ATOM 0 H VAL A 85 4.750 13.195 -3.573 1.00 71.21 H new ATOM 0 HA VAL A 85 2.104 12.109 -2.853 1.00 12.34 H new ATOM 0 HB VAL A 85 3.597 12.330 -5.493 1.00 22.33 H new ATOM 0 HG11 VAL A 85 1.545 11.576 -6.540 1.00 70.33 H new ATOM 0 HG12 VAL A 85 2.230 10.326 -5.475 1.00 70.33 H new ATOM 0 HG13 VAL A 85 0.821 11.273 -4.943 1.00 70.33 H new ATOM 0 HG21 VAL A 85 1.823 14.039 -5.904 1.00 21.22 H new ATOM 0 HG22 VAL A 85 1.181 13.763 -4.267 1.00 21.22 H new ATOM 0 HG23 VAL A 85 2.799 14.474 -4.481 1.00 21.22 H new ATOM 1236 N VAL A 86 2.772 9.670 -3.017 1.00 20.44 N ATOM 1237 CA VAL A 86 3.178 8.302 -2.886 1.00 4.35 C ATOM 1238 C VAL A 86 2.800 7.654 -4.163 1.00 30.32 C ATOM 1239 O VAL A 86 1.654 7.764 -4.616 1.00 32.41 O ATOM 1240 CB VAL A 86 2.415 7.555 -1.796 1.00 61.54 C ATOM 1241 CG1 VAL A 86 2.941 6.098 -1.684 1.00 2.33 C ATOM 1242 CG2 VAL A 86 2.535 8.346 -0.496 1.00 24.42 C ATOM 0 H VAL A 86 1.775 9.819 -2.864 1.00 20.44 H new ATOM 0 HA VAL A 86 4.240 8.274 -2.641 1.00 4.35 H new ATOM 0 HB VAL A 86 1.355 7.475 -2.038 1.00 61.54 H new ATOM 0 HG11 VAL A 86 2.391 5.572 -0.904 1.00 2.33 H new ATOM 0 HG12 VAL A 86 2.800 5.586 -2.636 1.00 2.33 H new ATOM 0 HG13 VAL A 86 4.002 6.112 -1.434 1.00 2.33 H new ATOM 0 HG21 VAL A 86 1.995 7.828 0.296 1.00 24.42 H new ATOM 0 HG22 VAL A 86 3.586 8.436 -0.221 1.00 24.42 H new ATOM 0 HG23 VAL A 86 2.110 9.340 -0.634 1.00 24.42 H new ATOM 1252 N HIS A 87 3.736 6.959 -4.767 1.00 3.11 N ATOM 1253 CA HIS A 87 3.451 6.169 -5.911 1.00 44.12 C ATOM 1254 C HIS A 87 3.656 4.774 -5.465 1.00 21.22 C ATOM 1255 O HIS A 87 4.682 4.456 -4.862 1.00 54.21 O ATOM 1256 CB HIS A 87 4.402 6.431 -7.089 1.00 23.21 C ATOM 1257 CG HIS A 87 4.336 7.845 -7.593 1.00 44.23 C ATOM 1258 ND1 HIS A 87 4.948 8.896 -6.951 1.00 64.01 N ATOM 1259 CD2 HIS A 87 3.682 8.349 -8.650 1.00 25.05 C ATOM 1260 CE1 HIS A 87 4.659 10.010 -7.618 1.00 43.02 C ATOM 1261 NE2 HIS A 87 3.887 9.691 -8.652 1.00 45.13 N ATOM 0 H HIS A 87 4.711 6.935 -4.469 1.00 3.11 H new ATOM 0 HA HIS A 87 2.446 6.396 -6.268 1.00 44.12 H new ATOM 0 HB2 HIS A 87 5.423 6.208 -6.781 1.00 23.21 H new ATOM 0 HB3 HIS A 87 4.159 5.749 -7.904 1.00 23.21 H new ATOM 0 HD2 HIS A 87 3.100 7.790 -9.367 1.00 25.05 H new ATOM 0 HE1 HIS A 87 4.994 11.004 -7.363 1.00 43.02 H new ATOM 0 HE2 HIS A 87 3.510 10.348 -9.336 1.00 45.13 H new ATOM 1270 N LEU A 88 2.674 3.930 -5.697 1.00 31.34 N ATOM 1271 CA LEU A 88 2.765 2.579 -5.251 1.00 63.41 C ATOM 1272 C LEU A 88 1.843 1.782 -6.072 1.00 4.32 C ATOM 1273 O LEU A 88 0.744 2.224 -6.407 1.00 33.23 O ATOM 1274 CB LEU A 88 2.439 2.363 -3.733 1.00 53.42 C ATOM 1275 CG LEU A 88 0.958 2.570 -3.293 1.00 24.14 C ATOM 1276 CD1 LEU A 88 0.784 2.365 -1.785 1.00 31.42 C ATOM 1277 CD2 LEU A 88 0.336 3.893 -3.753 1.00 31.31 C ATOM 0 H LEU A 88 1.813 4.165 -6.190 1.00 31.34 H new ATOM 0 HA LEU A 88 3.804 2.270 -5.363 1.00 63.41 H new ATOM 0 HB2 LEU A 88 2.734 1.349 -3.464 1.00 53.42 H new ATOM 0 HB3 LEU A 88 3.063 3.042 -3.152 1.00 53.42 H new ATOM 0 HG LEU A 88 0.398 1.794 -3.816 1.00 24.14 H new ATOM 0 HD11 LEU A 88 -0.261 2.518 -1.515 1.00 31.42 H new ATOM 0 HD12 LEU A 88 1.083 1.351 -1.519 1.00 31.42 H new ATOM 0 HD13 LEU A 88 1.406 3.080 -1.246 1.00 31.42 H new ATOM 0 HD21 LEU A 88 -0.694 3.952 -3.402 1.00 31.31 H new ATOM 0 HD22 LEU A 88 0.907 4.726 -3.342 1.00 31.31 H new ATOM 0 HD23 LEU A 88 0.352 3.944 -4.842 1.00 31.31 H new ATOM 1289 N LEU A 89 2.285 0.598 -6.477 1.00 64.21 N ATOM 1290 CA LEU A 89 1.449 -0.293 -7.221 1.00 1.21 C ATOM 1291 C LEU A 89 0.590 -1.011 -6.256 1.00 3.34 C ATOM 1292 O LEU A 89 1.043 -1.452 -5.186 1.00 42.21 O ATOM 1293 CB LEU A 89 2.242 -1.374 -8.001 1.00 54.13 C ATOM 1294 CG LEU A 89 2.816 -0.895 -9.352 1.00 33.31 C ATOM 1295 CD1 LEU A 89 3.616 0.400 -9.242 1.00 64.21 C ATOM 1296 CD2 LEU A 89 3.593 -1.999 -10.079 1.00 45.14 C ATOM 0 H LEU A 89 3.224 0.245 -6.294 1.00 64.21 H new ATOM 0 HA LEU A 89 0.896 0.309 -7.942 1.00 1.21 H new ATOM 0 HB2 LEU A 89 3.063 -1.726 -7.376 1.00 54.13 H new ATOM 0 HB3 LEU A 89 1.588 -2.228 -8.180 1.00 54.13 H new ATOM 0 HG LEU A 89 1.952 -0.657 -9.972 1.00 33.31 H new ATOM 0 HD11 LEU A 89 3.991 0.681 -10.226 1.00 64.21 H new ATOM 0 HD12 LEU A 89 2.974 1.193 -8.859 1.00 64.21 H new ATOM 0 HD13 LEU A 89 4.455 0.252 -8.563 1.00 64.21 H new ATOM 0 HD21 LEU A 89 3.976 -1.613 -11.023 1.00 45.14 H new ATOM 0 HD22 LEU A 89 4.425 -2.328 -9.457 1.00 45.14 H new ATOM 0 HD23 LEU A 89 2.930 -2.842 -10.274 1.00 45.14 H new ATOM 1308 N LEU A 90 -0.653 -1.172 -6.653 1.00 3.21 N ATOM 1309 CA LEU A 90 -1.591 -1.931 -5.881 1.00 73.14 C ATOM 1310 C LEU A 90 -1.813 -3.149 -6.679 1.00 24.42 C ATOM 1311 O LEU A 90 -1.636 -3.134 -7.895 1.00 52.01 O ATOM 1312 CB LEU A 90 -3.015 -1.303 -5.696 1.00 62.13 C ATOM 1313 CG LEU A 90 -3.095 0.228 -5.510 1.00 63.54 C ATOM 1314 CD1 LEU A 90 -2.297 0.784 -4.329 1.00 3.25 C ATOM 1315 CD2 LEU A 90 -2.836 0.991 -6.798 1.00 42.14 C ATOM 0 H LEU A 90 -1.033 -0.781 -7.515 1.00 3.21 H new ATOM 0 HA LEU A 90 -1.171 -2.039 -4.881 1.00 73.14 H new ATOM 0 HB2 LEU A 90 -3.617 -1.569 -6.565 1.00 62.13 H new ATOM 0 HB3 LEU A 90 -3.481 -1.773 -4.830 1.00 62.13 H new ATOM 0 HG LEU A 90 -4.135 0.404 -5.236 1.00 63.54 H new ATOM 0 HD11 LEU A 90 -2.419 1.866 -4.285 1.00 3.25 H new ATOM 0 HD12 LEU A 90 -2.661 0.340 -3.403 1.00 3.25 H new ATOM 0 HD13 LEU A 90 -1.242 0.542 -4.457 1.00 3.25 H new ATOM 0 HD21 LEU A 90 -2.905 2.062 -6.607 1.00 42.14 H new ATOM 0 HD22 LEU A 90 -1.839 0.752 -7.168 1.00 42.14 H new ATOM 0 HD23 LEU A 90 -3.578 0.707 -7.545 1.00 42.14 H new ATOM 1327 N GLU A 91 -2.283 -4.198 -6.045 1.00 3.45 N ATOM 1328 CA GLU A 91 -2.894 -5.259 -6.751 1.00 33.54 C ATOM 1329 C GLU A 91 -4.227 -5.273 -6.117 1.00 33.21 C ATOM 1330 O GLU A 91 -4.337 -5.162 -4.896 1.00 54.31 O ATOM 1331 CB GLU A 91 -2.192 -6.636 -6.561 1.00 74.44 C ATOM 1332 CG GLU A 91 -2.910 -7.835 -7.214 1.00 3.21 C ATOM 1333 CD GLU A 91 -2.165 -9.111 -6.839 1.00 54.43 C ATOM 1334 OE1 GLU A 91 -1.904 -9.312 -5.630 1.00 21.11 O ATOM 1335 OE2 GLU A 91 -1.869 -9.932 -7.734 1.00 53.14 O ATOM 0 H GLU A 91 -2.245 -4.324 -5.033 1.00 3.45 H new ATOM 0 HA GLU A 91 -2.874 -5.112 -7.831 1.00 33.54 H new ATOM 0 HB2 GLU A 91 -1.183 -6.571 -6.969 1.00 74.44 H new ATOM 0 HB3 GLU A 91 -2.092 -6.831 -5.493 1.00 74.44 H new ATOM 0 HG2 GLU A 91 -3.944 -7.887 -6.874 1.00 3.21 H new ATOM 0 HG3 GLU A 91 -2.936 -7.716 -8.297 1.00 3.21 H new ATOM 1342 N LYS A 92 -5.276 -5.297 -6.934 1.00 11.03 N ATOM 1343 CA LYS A 92 -6.585 -5.207 -6.463 1.00 70.25 C ATOM 1344 C LYS A 92 -6.872 -6.519 -5.756 1.00 70.52 C ATOM 1345 O LYS A 92 -6.437 -7.586 -6.202 1.00 3.24 O ATOM 1346 CB LYS A 92 -7.539 -4.969 -7.668 1.00 64.33 C ATOM 1347 CG LYS A 92 -8.944 -5.443 -7.506 1.00 32.11 C ATOM 1348 CD LYS A 92 -9.779 -4.703 -6.441 1.00 73.45 C ATOM 1349 CE LYS A 92 -10.335 -3.334 -6.881 1.00 11.23 C ATOM 1350 NZ LYS A 92 -11.407 -3.503 -7.893 1.00 44.12 N ATOM 0 H LYS A 92 -5.202 -5.382 -7.948 1.00 11.03 H new ATOM 0 HA LYS A 92 -6.731 -4.377 -5.771 1.00 70.25 H new ATOM 0 HB2 LYS A 92 -7.561 -3.900 -7.880 1.00 64.33 H new ATOM 0 HB3 LYS A 92 -7.112 -5.459 -8.543 1.00 64.33 H new ATOM 0 HG2 LYS A 92 -9.452 -5.353 -8.466 1.00 32.11 H new ATOM 0 HG3 LYS A 92 -8.924 -6.503 -7.254 1.00 32.11 H new ATOM 0 HD2 LYS A 92 -10.614 -5.340 -6.149 1.00 73.45 H new ATOM 0 HD3 LYS A 92 -9.162 -4.559 -5.554 1.00 73.45 H new ATOM 0 HE2 LYS A 92 -10.726 -2.800 -6.015 1.00 11.23 H new ATOM 0 HE3 LYS A 92 -9.531 -2.725 -7.294 1.00 11.23 H new ATOM 0 HZ1 LYS A 92 -11.860 -2.585 -8.076 1.00 44.12 H new ATOM 0 HZ2 LYS A 92 -10.996 -3.868 -8.776 1.00 44.12 H new ATOM 0 HZ3 LYS A 92 -12.117 -4.174 -7.538 1.00 44.12 H new ATOM 1364 N GLY A 93 -7.571 -6.440 -4.622 1.00 11.04 N ATOM 1365 CA GLY A 93 -7.792 -7.596 -3.798 1.00 44.54 C ATOM 1366 C GLY A 93 -8.993 -7.325 -2.944 1.00 52.34 C ATOM 1367 O GLY A 93 -9.377 -8.160 -2.123 1.00 43.12 O ATOM 0 H GLY A 93 -7.988 -5.580 -4.266 1.00 11.04 H new ATOM 0 HA2 GLY A 93 -7.953 -8.480 -4.415 1.00 44.54 H new ATOM 0 HA3 GLY A 93 -6.919 -7.796 -3.177 1.00 44.54 H new