USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 669 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 ASN : amide:sc= -0.529 K(o=-0.53,f=-1.1) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.416 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -137:sc= 0.633 (180deg=-0.367) USER MOD Set 3.1: A 22 ASN : amide:sc= 1.01 K(o=2.2,f=-3.3) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -177:sc= 1.2 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 162:sc= 1.21 (180deg=0.704) USER MOD Single : A 2 ASN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.92) USER MOD Single : A 23 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.4) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.78) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.984 F(o=-1.9,f=-0.98) USER MOD Single : A 58 MET CE :methyl 167:sc= -0.264 (180deg=-0.911) USER MOD Single : A 64 GLN : amide:sc= 0.0301 K(o=0.03,f=-3.1!) USER MOD Single : A 65 HIS : no HD1:sc= 0.0233 K(o=0.023,f=-6!) USER MOD Single : A 67 THR OG1 : rot -79:sc= 0.916 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= 0.21 (180deg=0.15) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.926 8.663 5.454 1.00 13.12 N ATOM 2 CA GLY A 1 -15.099 8.705 4.572 1.00 52.52 C ATOM 3 C GLY A 1 -14.947 7.648 3.499 1.00 0.32 C ATOM 4 O GLY A 1 -14.285 6.642 3.737 1.00 41.54 O ATOM 0 H1 GLY A 1 -13.863 9.552 5.991 1.00 13.12 H new ATOM 0 H2 GLY A 1 -14.017 7.865 6.115 1.00 13.12 H new ATOM 0 H3 GLY A 1 -13.066 8.543 4.882 1.00 13.12 H new ATOM 0 HA2 GLY A 1 -16.009 8.530 5.147 1.00 52.52 H new ATOM 0 HA3 GLY A 1 -15.194 9.691 4.118 1.00 52.52 H new ATOM 8 N ASN A 2 -15.489 7.859 2.294 1.00 73.22 N ATOM 9 CA ASN A 2 -15.379 6.862 1.219 1.00 14.24 C ATOM 10 C ASN A 2 -13.962 6.644 0.682 1.00 54.41 C ATOM 11 O ASN A 2 -13.798 5.867 -0.253 1.00 24.53 O ATOM 12 CB ASN A 2 -16.299 7.176 0.024 1.00 65.23 C ATOM 13 CG ASN A 2 -15.676 8.202 -0.928 1.00 13.03 C ATOM 14 OD1 ASN A 2 -15.663 9.396 -0.632 1.00 44.00 O ATOM 15 ND2 ASN A 2 -15.145 7.803 -2.068 1.00 53.25 N ATOM 0 H ASN A 2 -16.004 8.702 2.039 1.00 73.22 H new ATOM 0 HA ASN A 2 -15.694 5.942 1.711 1.00 14.24 H new ATOM 0 HB2 ASN A 2 -16.510 6.257 -0.522 1.00 65.23 H new ATOM 0 HB3 ASN A 2 -17.253 7.555 0.391 1.00 65.23 H new ATOM 0 HD21 ASN A 2 -14.725 8.484 -2.701 1.00 53.25 H new ATOM 0 HD22 ASN A 2 -15.154 6.814 -2.316 1.00 53.25 H new ATOM 22 N ARG A 3 -12.947 7.321 1.213 1.00 11.55 N ATOM 23 CA ARG A 3 -11.584 7.177 0.727 1.00 43.42 C ATOM 24 C ARG A 3 -10.586 7.032 1.864 1.00 34.24 C ATOM 25 O ARG A 3 -10.326 7.987 2.602 1.00 41.44 O ATOM 26 CB ARG A 3 -11.277 8.335 -0.239 1.00 52.23 C ATOM 27 CG ARG A 3 -10.665 7.845 -1.552 1.00 43.04 C ATOM 28 CD ARG A 3 -9.167 7.575 -1.410 1.00 65.53 C ATOM 29 NE ARG A 3 -8.400 8.834 -1.388 1.00 71.54 N ATOM 30 CZ ARG A 3 -8.023 9.528 -2.470 1.00 12.43 C ATOM 31 NH1 ARG A 3 -8.317 9.109 -3.694 1.00 53.44 N ATOM 32 NH2 ARG A 3 -7.344 10.651 -2.297 1.00 11.24 N ATOM 0 H ARG A 3 -13.048 7.979 1.986 1.00 11.55 H new ATOM 0 HA ARG A 3 -11.484 6.247 0.168 1.00 43.42 H new ATOM 0 HB2 ARG A 3 -12.195 8.883 -0.450 1.00 52.23 H new ATOM 0 HB3 ARG A 3 -10.592 9.034 0.241 1.00 52.23 H new ATOM 0 HG2 ARG A 3 -11.171 6.934 -1.872 1.00 43.04 H new ATOM 0 HG3 ARG A 3 -10.829 8.590 -2.330 1.00 43.04 H new ATOM 0 HD2 ARG A 3 -8.981 7.016 -0.493 1.00 65.53 H new ATOM 0 HD3 ARG A 3 -8.827 6.953 -2.238 1.00 65.53 H new ATOM 0 HE ARG A 3 -8.135 9.206 -0.476 1.00 71.54 H new ATOM 0 HH11 ARG A 3 -8.840 8.243 -3.825 1.00 53.44 H new ATOM 0 HH12 ARG A 3 -8.020 9.653 -4.504 1.00 53.44 H new ATOM 0 HH21 ARG A 3 -7.119 10.971 -1.355 1.00 11.24 H new ATOM 0 HH22 ARG A 3 -7.046 11.197 -3.106 1.00 11.24 H new ATOM 46 N PHE A 4 -10.078 5.817 2.005 1.00 13.01 N ATOM 47 CA PHE A 4 -9.091 5.362 2.969 1.00 15.51 C ATOM 48 C PHE A 4 -7.740 5.317 2.245 1.00 74.41 C ATOM 49 O PHE A 4 -7.684 5.293 1.008 1.00 42.34 O ATOM 50 CB PHE A 4 -9.447 3.960 3.484 1.00 21.40 C ATOM 51 CG PHE A 4 -10.700 3.834 4.335 1.00 50.11 C ATOM 52 CD1 PHE A 4 -11.979 3.991 3.769 1.00 54.25 C ATOM 53 CD2 PHE A 4 -10.594 3.489 5.695 1.00 22.23 C ATOM 54 CE1 PHE A 4 -13.133 3.806 4.542 1.00 62.31 C ATOM 55 CE2 PHE A 4 -11.747 3.320 6.477 1.00 71.25 C ATOM 56 CZ PHE A 4 -13.018 3.457 5.895 1.00 31.42 C ATOM 0 H PHE A 4 -10.374 5.057 1.392 1.00 13.01 H new ATOM 0 HA PHE A 4 -9.059 6.035 3.825 1.00 15.51 H new ATOM 0 HB2 PHE A 4 -9.555 3.300 2.623 1.00 21.40 H new ATOM 0 HB3 PHE A 4 -8.604 3.589 4.066 1.00 21.40 H new ATOM 0 HD1 PHE A 4 -12.072 4.257 2.726 1.00 54.25 H new ATOM 0 HD2 PHE A 4 -9.619 3.353 6.140 1.00 22.23 H new ATOM 0 HE1 PHE A 4 -14.109 3.932 4.097 1.00 62.31 H new ATOM 0 HE2 PHE A 4 -11.657 3.084 7.527 1.00 71.25 H new ATOM 0 HZ PHE A 4 -13.905 3.294 6.489 1.00 31.42 H new ATOM 66 N ILE A 5 -6.653 5.385 3.015 1.00 34.10 N ATOM 67 CA ILE A 5 -5.281 5.361 2.519 1.00 43.40 C ATOM 68 C ILE A 5 -4.474 4.413 3.403 1.00 0.43 C ATOM 69 O ILE A 5 -4.748 4.288 4.603 1.00 44.43 O ATOM 70 CB ILE A 5 -4.653 6.782 2.501 1.00 15.53 C ATOM 71 CG1 ILE A 5 -5.526 7.837 1.781 1.00 74.14 C ATOM 72 CG2 ILE A 5 -3.258 6.830 1.841 1.00 61.31 C ATOM 73 CD1 ILE A 5 -5.523 9.143 2.557 1.00 62.32 C ATOM 0 H ILE A 5 -6.707 5.460 4.031 1.00 34.10 H new ATOM 0 HA ILE A 5 -5.272 5.008 1.488 1.00 43.40 H new ATOM 0 HB ILE A 5 -4.575 7.024 3.561 1.00 15.53 H new ATOM 0 HG12 ILE A 5 -5.148 8.005 0.772 1.00 74.14 H new ATOM 0 HG13 ILE A 5 -6.547 7.468 1.682 1.00 74.14 H new ATOM 0 HG21 ILE A 5 -2.880 7.852 1.863 1.00 61.31 H new ATOM 0 HG22 ILE A 5 -2.575 6.178 2.386 1.00 61.31 H new ATOM 0 HG23 ILE A 5 -3.333 6.493 0.807 1.00 61.31 H new ATOM 0 HD11 ILE A 5 -6.141 9.876 2.038 1.00 62.32 H new ATOM 0 HD12 ILE A 5 -5.923 8.973 3.557 1.00 62.32 H new ATOM 0 HD13 ILE A 5 -4.503 9.518 2.633 1.00 62.32 H new ATOM 85 N VAL A 6 -3.471 3.776 2.810 1.00 71.30 N ATOM 86 CA VAL A 6 -2.544 2.859 3.441 1.00 64.40 C ATOM 87 C VAL A 6 -1.167 3.514 3.324 1.00 45.23 C ATOM 88 O VAL A 6 -0.776 3.985 2.246 1.00 14.45 O ATOM 89 CB VAL A 6 -2.599 1.475 2.769 1.00 71.34 C ATOM 90 CG1 VAL A 6 -1.609 0.496 3.403 1.00 73.24 C ATOM 91 CG2 VAL A 6 -3.999 0.862 2.870 1.00 14.11 C ATOM 0 H VAL A 6 -3.276 3.897 1.816 1.00 71.30 H new ATOM 0 HA VAL A 6 -2.792 2.680 4.487 1.00 64.40 H new ATOM 0 HB VAL A 6 -2.335 1.636 1.724 1.00 71.34 H new ATOM 0 HG11 VAL A 6 -1.679 -0.469 2.901 1.00 73.24 H new ATOM 0 HG12 VAL A 6 -0.596 0.886 3.301 1.00 73.24 H new ATOM 0 HG13 VAL A 6 -1.846 0.373 4.460 1.00 73.24 H new ATOM 0 HG21 VAL A 6 -4.004 -0.115 2.386 1.00 14.11 H new ATOM 0 HG22 VAL A 6 -4.272 0.749 3.919 1.00 14.11 H new ATOM 0 HG23 VAL A 6 -4.719 1.515 2.377 1.00 14.11 H new ATOM 101 N PHE A 7 -0.485 3.629 4.458 1.00 21.22 N ATOM 102 CA PHE A 7 0.844 4.190 4.592 1.00 21.42 C ATOM 103 C PHE A 7 1.810 3.020 4.537 1.00 12.01 C ATOM 104 O PHE A 7 1.515 1.975 5.122 1.00 50.13 O ATOM 105 CB PHE A 7 1.015 4.817 5.982 1.00 23.25 C ATOM 106 CG PHE A 7 2.393 5.411 6.208 1.00 60.33 C ATOM 107 CD1 PHE A 7 2.732 6.634 5.609 1.00 42.24 C ATOM 108 CD2 PHE A 7 3.363 4.722 6.961 1.00 72.43 C ATOM 109 CE1 PHE A 7 4.018 7.170 5.764 1.00 40.44 C ATOM 110 CE2 PHE A 7 4.642 5.264 7.138 1.00 63.02 C ATOM 111 CZ PHE A 7 4.962 6.493 6.549 1.00 63.20 C ATOM 0 H PHE A 7 -0.868 3.316 5.350 1.00 21.22 H new ATOM 0 HA PHE A 7 1.013 4.937 3.817 1.00 21.42 H new ATOM 0 HB2 PHE A 7 0.265 5.596 6.116 1.00 23.25 H new ATOM 0 HB3 PHE A 7 0.825 4.058 6.741 1.00 23.25 H new ATOM 0 HD1 PHE A 7 1.996 7.166 5.024 1.00 42.24 H new ATOM 0 HD2 PHE A 7 3.119 3.768 7.405 1.00 72.43 H new ATOM 0 HE1 PHE A 7 4.280 8.100 5.281 1.00 40.44 H new ATOM 0 HE2 PHE A 7 5.378 4.736 7.726 1.00 63.02 H new ATOM 0 HZ PHE A 7 5.942 6.922 6.700 1.00 63.20 H new ATOM 121 N VAL A 8 2.938 3.169 3.851 1.00 40.31 N ATOM 122 CA VAL A 8 3.947 2.129 3.772 1.00 41.13 C ATOM 123 C VAL A 8 5.298 2.832 3.886 1.00 61.23 C ATOM 124 O VAL A 8 5.481 3.846 3.210 1.00 60.24 O ATOM 125 CB VAL A 8 3.815 1.301 2.477 1.00 22.01 C ATOM 126 CG1 VAL A 8 4.629 0.004 2.592 1.00 0.32 C ATOM 127 CG2 VAL A 8 2.370 0.903 2.130 1.00 52.44 C ATOM 0 H VAL A 8 3.175 4.016 3.335 1.00 40.31 H new ATOM 0 HA VAL A 8 3.829 1.403 4.577 1.00 41.13 H new ATOM 0 HB VAL A 8 4.187 1.952 1.686 1.00 22.01 H new ATOM 0 HG11 VAL A 8 4.528 -0.572 1.672 1.00 0.32 H new ATOM 0 HG12 VAL A 8 5.679 0.247 2.755 1.00 0.32 H new ATOM 0 HG13 VAL A 8 4.259 -0.585 3.431 1.00 0.32 H new ATOM 0 HG21 VAL A 8 2.364 0.324 1.207 1.00 52.44 H new ATOM 0 HG22 VAL A 8 1.954 0.302 2.938 1.00 52.44 H new ATOM 0 HG23 VAL A 8 1.767 1.801 1.999 1.00 52.44 H new ATOM 137 N GLY A 9 6.231 2.362 4.724 1.00 44.35 N ATOM 138 CA GLY A 9 7.552 2.986 4.847 1.00 52.40 C ATOM 139 C GLY A 9 8.652 1.944 5.020 1.00 13.55 C ATOM 140 O GLY A 9 8.368 0.747 5.016 1.00 31.23 O ATOM 0 H GLY A 9 6.094 1.551 5.327 1.00 44.35 H new ATOM 0 HA2 GLY A 9 7.755 3.586 3.960 1.00 52.40 H new ATOM 0 HA3 GLY A 9 7.556 3.665 5.700 1.00 52.40 H new ATOM 144 N SER A 10 9.899 2.402 5.180 1.00 44.35 N ATOM 145 CA SER A 10 11.127 1.618 5.323 1.00 60.54 C ATOM 146 C SER A 10 11.558 1.000 3.978 1.00 32.41 C ATOM 147 O SER A 10 12.471 0.171 3.940 1.00 1.03 O ATOM 148 CB SER A 10 10.985 0.581 6.445 1.00 65.51 C ATOM 149 OG SER A 10 11.553 1.036 7.662 1.00 0.32 O ATOM 0 H SER A 10 10.088 3.404 5.215 1.00 44.35 H new ATOM 0 HA SER A 10 11.934 2.288 5.619 1.00 60.54 H new ATOM 0 HB2 SER A 10 9.930 0.355 6.599 1.00 65.51 H new ATOM 0 HB3 SER A 10 11.469 -0.348 6.144 1.00 65.51 H new ATOM 0 HG SER A 10 11.441 0.349 8.352 1.00 0.32 H new ATOM 155 N LEU A 11 10.928 1.419 2.875 1.00 55.03 N ATOM 156 CA LEU A 11 11.176 0.934 1.523 1.00 14.11 C ATOM 157 C LEU A 11 12.647 1.037 1.120 1.00 12.21 C ATOM 158 O LEU A 11 13.313 2.012 1.491 1.00 43.23 O ATOM 159 CB LEU A 11 10.307 1.685 0.495 1.00 35.23 C ATOM 160 CG LEU A 11 8.867 1.154 0.377 1.00 25.13 C ATOM 161 CD1 LEU A 11 8.094 1.218 1.697 1.00 44.02 C ATOM 162 CD2 LEU A 11 8.082 2.005 -0.615 1.00 3.41 C ATOM 0 H LEU A 11 10.202 2.135 2.907 1.00 55.03 H new ATOM 0 HA LEU A 11 10.904 -0.122 1.527 1.00 14.11 H new ATOM 0 HB2 LEU A 11 10.272 2.740 0.767 1.00 35.23 H new ATOM 0 HB3 LEU A 11 10.786 1.624 -0.482 1.00 35.23 H new ATOM 0 HG LEU A 11 8.960 0.115 0.060 1.00 25.13 H new ATOM 0 HD11 LEU A 11 7.086 0.830 1.548 1.00 44.02 H new ATOM 0 HD12 LEU A 11 8.607 0.618 2.448 1.00 44.02 H new ATOM 0 HD13 LEU A 11 8.038 2.252 2.036 1.00 44.02 H new ATOM 0 HD21 LEU A 11 7.064 1.625 -0.695 1.00 3.41 H new ATOM 0 HD22 LEU A 11 8.057 3.038 -0.268 1.00 3.41 H new ATOM 0 HD23 LEU A 11 8.563 1.961 -1.592 1.00 3.41 H new ATOM 174 N PRO A 12 13.138 0.066 0.328 1.00 20.34 N ATOM 175 CA PRO A 12 14.511 0.065 -0.138 1.00 2.11 C ATOM 176 C PRO A 12 14.740 1.219 -1.110 1.00 70.33 C ATOM 177 O PRO A 12 13.814 1.713 -1.751 1.00 74.42 O ATOM 178 CB PRO A 12 14.711 -1.272 -0.871 1.00 54.52 C ATOM 179 CG PRO A 12 13.305 -1.760 -1.209 1.00 63.53 C ATOM 180 CD PRO A 12 12.422 -1.111 -0.149 1.00 61.44 C ATOM 0 HA PRO A 12 15.209 0.183 0.691 1.00 2.11 H new ATOM 0 HB2 PRO A 12 15.309 -1.141 -1.773 1.00 54.52 H new ATOM 0 HB3 PRO A 12 15.236 -1.991 -0.242 1.00 54.52 H new ATOM 0 HG2 PRO A 12 13.009 -1.458 -2.214 1.00 63.53 H new ATOM 0 HG3 PRO A 12 13.240 -2.847 -1.171 1.00 63.53 H new ATOM 0 HD2 PRO A 12 11.455 -0.833 -0.568 1.00 61.44 H new ATOM 0 HD3 PRO A 12 12.227 -1.804 0.670 1.00 61.44 H new ATOM 188 N ARG A 13 15.994 1.627 -1.264 1.00 45.12 N ATOM 189 CA ARG A 13 16.380 2.685 -2.191 1.00 15.13 C ATOM 190 C ARG A 13 16.107 2.192 -3.603 1.00 62.24 C ATOM 191 O ARG A 13 15.514 2.897 -4.413 1.00 73.53 O ATOM 192 CB ARG A 13 17.867 2.977 -2.022 1.00 0.42 C ATOM 193 CG ARG A 13 18.125 3.775 -0.737 1.00 65.35 C ATOM 194 CD ARG A 13 19.112 4.902 -1.013 1.00 73.44 C ATOM 195 NE ARG A 13 20.514 4.441 -1.078 1.00 11.55 N ATOM 196 CZ ARG A 13 21.532 4.992 -0.399 1.00 33.51 C ATOM 197 NH1 ARG A 13 21.301 5.855 0.590 1.00 21.02 N ATOM 198 NH2 ARG A 13 22.785 4.687 -0.702 1.00 12.31 N ATOM 0 H ARG A 13 16.778 1.230 -0.745 1.00 45.12 H new ATOM 0 HA ARG A 13 15.816 3.597 -1.997 1.00 15.13 H new ATOM 0 HB2 ARG A 13 18.425 2.041 -1.992 1.00 0.42 H new ATOM 0 HB3 ARG A 13 18.232 3.538 -2.883 1.00 0.42 H new ATOM 0 HG2 ARG A 13 17.188 4.185 -0.360 1.00 65.35 H new ATOM 0 HG3 ARG A 13 18.519 3.116 0.037 1.00 65.35 H new ATOM 0 HD2 ARG A 13 18.850 5.384 -1.955 1.00 73.44 H new ATOM 0 HD3 ARG A 13 19.020 5.657 -0.232 1.00 73.44 H new ATOM 0 HE ARG A 13 20.723 3.647 -1.683 1.00 11.55 H new ATOM 0 HH11 ARG A 13 20.343 6.103 0.837 1.00 21.02 H new ATOM 0 HH12 ARG A 13 22.082 6.268 1.100 1.00 21.02 H new ATOM 0 HH21 ARG A 13 22.982 4.029 -1.456 1.00 12.31 H new ATOM 0 HH22 ARG A 13 23.553 5.110 -0.181 1.00 12.31 H new ATOM 212 N ASP A 14 16.469 0.938 -3.855 1.00 4.10 N ATOM 213 CA ASP A 14 16.338 0.217 -5.112 1.00 63.45 C ATOM 214 C ASP A 14 14.891 -0.209 -5.408 1.00 20.10 C ATOM 215 O ASP A 14 14.653 -1.084 -6.249 1.00 31.51 O ATOM 216 CB ASP A 14 17.357 -0.914 -5.149 1.00 14.22 C ATOM 217 CG ASP A 14 18.783 -0.358 -5.049 1.00 33.31 C ATOM 218 OD1 ASP A 14 19.214 -0.010 -3.925 1.00 31.24 O ATOM 219 OD2 ASP A 14 19.421 -0.140 -6.103 1.00 4.01 O ATOM 0 H ASP A 14 16.893 0.358 -3.131 1.00 4.10 H new ATOM 0 HA ASP A 14 16.571 0.887 -5.939 1.00 63.45 H new ATOM 0 HB2 ASP A 14 17.172 -1.605 -4.327 1.00 14.22 H new ATOM 0 HB3 ASP A 14 17.246 -1.481 -6.073 1.00 14.22 H new ATOM 224 N ILE A 15 13.905 0.331 -4.680 1.00 40.51 N ATOM 225 CA ILE A 15 12.493 0.042 -4.895 1.00 12.13 C ATOM 226 C ILE A 15 12.125 0.398 -6.343 1.00 53.31 C ATOM 227 O ILE A 15 12.647 1.360 -6.920 1.00 74.45 O ATOM 228 CB ILE A 15 11.622 0.783 -3.858 1.00 11.44 C ATOM 229 CG1 ILE A 15 10.135 0.378 -3.909 1.00 74.31 C ATOM 230 CG2 ILE A 15 11.741 2.310 -3.991 1.00 71.32 C ATOM 231 CD1 ILE A 15 9.876 -1.070 -3.499 1.00 32.23 C ATOM 0 H ILE A 15 14.074 0.988 -3.918 1.00 40.51 H new ATOM 0 HA ILE A 15 12.300 -1.021 -4.751 1.00 12.13 H new ATOM 0 HB ILE A 15 12.017 0.476 -2.889 1.00 11.44 H new ATOM 0 HG12 ILE A 15 9.566 1.038 -3.255 1.00 74.31 H new ATOM 0 HG13 ILE A 15 9.761 0.532 -4.921 1.00 74.31 H new ATOM 0 HG21 ILE A 15 11.112 2.791 -3.242 1.00 71.32 H new ATOM 0 HG22 ILE A 15 12.778 2.609 -3.839 1.00 71.32 H new ATOM 0 HG23 ILE A 15 11.418 2.615 -4.986 1.00 71.32 H new ATOM 0 HD11 ILE A 15 8.808 -1.280 -3.560 1.00 32.23 H new ATOM 0 HD12 ILE A 15 10.416 -1.740 -4.168 1.00 32.23 H new ATOM 0 HD13 ILE A 15 10.218 -1.225 -2.476 1.00 32.23 H new ATOM 243 N THR A 16 11.228 -0.384 -6.931 1.00 4.25 N ATOM 244 CA THR A 16 10.743 -0.207 -8.285 1.00 43.30 C ATOM 245 C THR A 16 9.224 -0.209 -8.229 1.00 44.12 C ATOM 246 O THR A 16 8.639 -0.916 -7.401 1.00 72.42 O ATOM 247 CB THR A 16 11.288 -1.337 -9.184 1.00 62.04 C ATOM 248 OG1 THR A 16 11.513 -2.539 -8.451 1.00 60.43 O ATOM 249 CG2 THR A 16 12.602 -0.906 -9.832 1.00 2.34 C ATOM 0 H THR A 16 10.807 -1.184 -6.459 1.00 4.25 H new ATOM 0 HA THR A 16 11.086 0.735 -8.713 1.00 43.30 H new ATOM 0 HB THR A 16 10.534 -1.531 -9.946 1.00 62.04 H new ATOM 0 HG1 THR A 16 11.856 -3.231 -9.054 1.00 60.43 H new ATOM 0 HG21 THR A 16 12.977 -1.711 -10.464 1.00 2.34 H new ATOM 0 HG22 THR A 16 12.434 -0.016 -10.439 1.00 2.34 H new ATOM 0 HG23 THR A 16 13.334 -0.683 -9.056 1.00 2.34 H new ATOM 257 N ALA A 17 8.586 0.553 -9.119 1.00 14.15 N ATOM 258 CA ALA A 17 7.132 0.610 -9.179 1.00 0.24 C ATOM 259 C ALA A 17 6.586 -0.779 -9.520 1.00 35.14 C ATOM 260 O ALA A 17 5.527 -1.163 -9.036 1.00 20.23 O ATOM 261 CB ALA A 17 6.722 1.641 -10.227 1.00 2.21 C ATOM 0 H ALA A 17 9.058 1.139 -9.808 1.00 14.15 H new ATOM 0 HA ALA A 17 6.718 0.910 -8.216 1.00 0.24 H new ATOM 0 HB1 ALA A 17 5.635 1.692 -10.281 1.00 2.21 H new ATOM 0 HB2 ALA A 17 7.118 2.618 -9.951 1.00 2.21 H new ATOM 0 HB3 ALA A 17 7.120 1.350 -11.199 1.00 2.21 H new ATOM 267 N VAL A 18 7.345 -1.567 -10.284 1.00 73.12 N ATOM 268 CA VAL A 18 6.974 -2.912 -10.685 1.00 44.52 C ATOM 269 C VAL A 18 6.751 -3.795 -9.456 1.00 55.32 C ATOM 270 O VAL A 18 5.781 -4.555 -9.437 1.00 62.42 O ATOM 271 CB VAL A 18 8.062 -3.504 -11.613 1.00 4.33 C ATOM 272 CG1 VAL A 18 7.601 -4.829 -12.236 1.00 35.35 C ATOM 273 CG2 VAL A 18 8.479 -2.533 -12.731 1.00 34.40 C ATOM 0 H VAL A 18 8.253 -1.275 -10.645 1.00 73.12 H new ATOM 0 HA VAL A 18 6.036 -2.874 -11.239 1.00 44.52 H new ATOM 0 HB VAL A 18 8.931 -3.683 -10.980 1.00 4.33 H new ATOM 0 HG11 VAL A 18 8.387 -5.220 -12.883 1.00 35.35 H new ATOM 0 HG12 VAL A 18 7.390 -5.549 -11.445 1.00 35.35 H new ATOM 0 HG13 VAL A 18 6.698 -4.660 -12.823 1.00 35.35 H new ATOM 0 HG21 VAL A 18 9.244 -3.000 -13.352 1.00 34.40 H new ATOM 0 HG22 VAL A 18 7.612 -2.291 -13.345 1.00 34.40 H new ATOM 0 HG23 VAL A 18 8.877 -1.619 -12.290 1.00 34.40 H new ATOM 283 N GLU A 19 7.639 -3.721 -8.458 1.00 10.04 N ATOM 284 CA GLU A 19 7.533 -4.517 -7.241 1.00 4.31 C ATOM 285 C GLU A 19 6.353 -4.022 -6.410 1.00 64.11 C ATOM 286 O GLU A 19 5.626 -4.832 -5.835 1.00 20.20 O ATOM 287 CB GLU A 19 8.866 -4.458 -6.472 1.00 32.22 C ATOM 288 CG GLU A 19 9.865 -5.496 -7.011 1.00 2.34 C ATOM 289 CD GLU A 19 9.613 -6.912 -6.467 1.00 71.21 C ATOM 290 OE1 GLU A 19 8.687 -7.585 -6.986 1.00 13.32 O ATOM 291 OE2 GLU A 19 10.385 -7.385 -5.603 1.00 74.54 O ATOM 0 H GLU A 19 8.451 -3.104 -8.477 1.00 10.04 H new ATOM 0 HA GLU A 19 7.343 -5.563 -7.482 1.00 4.31 H new ATOM 0 HB2 GLU A 19 9.294 -3.459 -6.557 1.00 32.22 H new ATOM 0 HB3 GLU A 19 8.686 -4.639 -5.412 1.00 32.22 H new ATOM 0 HG2 GLU A 19 9.808 -5.516 -8.099 1.00 2.34 H new ATOM 0 HG3 GLU A 19 10.877 -5.187 -6.750 1.00 2.34 H new ATOM 298 N LEU A 20 6.133 -2.705 -6.362 1.00 25.12 N ATOM 299 CA LEU A 20 5.024 -2.127 -5.610 1.00 41.40 C ATOM 300 C LEU A 20 3.705 -2.619 -6.176 1.00 11.52 C ATOM 301 O LEU A 20 2.818 -3.034 -5.425 1.00 10.30 O ATOM 302 CB LEU A 20 5.095 -0.594 -5.623 1.00 73.03 C ATOM 303 CG LEU A 20 6.206 -0.028 -4.732 1.00 1.13 C ATOM 304 CD1 LEU A 20 6.176 1.494 -4.816 1.00 64.40 C ATOM 305 CD2 LEU A 20 6.049 -0.419 -3.261 1.00 13.11 C ATOM 0 H LEU A 20 6.715 -2.017 -6.840 1.00 25.12 H new ATOM 0 HA LEU A 20 5.097 -2.450 -4.571 1.00 41.40 H new ATOM 0 HB2 LEU A 20 5.252 -0.254 -6.647 1.00 73.03 H new ATOM 0 HB3 LEU A 20 4.137 -0.191 -5.296 1.00 73.03 H new ATOM 0 HG LEU A 20 7.147 -0.443 -5.093 1.00 1.13 H new ATOM 0 HD11 LEU A 20 6.963 1.909 -4.186 1.00 64.40 H new ATOM 0 HD12 LEU A 20 6.337 1.805 -5.848 1.00 64.40 H new ATOM 0 HD13 LEU A 20 5.207 1.858 -4.474 1.00 64.40 H new ATOM 0 HD21 LEU A 20 6.865 0.011 -2.681 1.00 13.11 H new ATOM 0 HD22 LEU A 20 5.098 -0.043 -2.884 1.00 13.11 H new ATOM 0 HD23 LEU A 20 6.072 -1.505 -3.169 1.00 13.11 H new ATOM 317 N GLN A 21 3.566 -2.572 -7.498 1.00 21.55 N ATOM 318 CA GLN A 21 2.369 -3.019 -8.180 1.00 13.11 C ATOM 319 C GLN A 21 2.162 -4.504 -7.884 1.00 55.30 C ATOM 320 O GLN A 21 1.079 -4.907 -7.479 1.00 44.13 O ATOM 321 CB GLN A 21 2.557 -2.767 -9.681 1.00 42.13 C ATOM 322 CG GLN A 21 2.525 -1.270 -10.034 1.00 12.52 C ATOM 323 CD GLN A 21 1.125 -0.712 -10.254 1.00 42.04 C ATOM 324 OE1 GLN A 21 0.118 -1.395 -10.102 1.00 55.04 O ATOM 325 NE2 GLN A 21 1.041 0.554 -10.611 1.00 60.24 N ATOM 0 H GLN A 21 4.289 -2.219 -8.125 1.00 21.55 H new ATOM 0 HA GLN A 21 1.486 -2.478 -7.839 1.00 13.11 H new ATOM 0 HB2 GLN A 21 3.508 -3.193 -10.002 1.00 42.13 H new ATOM 0 HB3 GLN A 21 1.773 -3.285 -10.234 1.00 42.13 H new ATOM 0 HG2 GLN A 21 3.006 -0.709 -9.233 1.00 12.52 H new ATOM 0 HG3 GLN A 21 3.115 -1.108 -10.936 1.00 12.52 H new ATOM 0 HE21 GLN A 21 1.889 1.107 -10.733 1.00 60.24 H new ATOM 0 HE22 GLN A 21 0.128 0.981 -10.765 1.00 60.24 H new ATOM 334 N ASN A 22 3.225 -5.301 -8.018 1.00 61.12 N ATOM 335 CA ASN A 22 3.222 -6.746 -7.813 1.00 61.00 C ATOM 336 C ASN A 22 2.779 -7.207 -6.423 1.00 61.24 C ATOM 337 O ASN A 22 2.137 -8.253 -6.290 1.00 22.53 O ATOM 338 CB ASN A 22 4.635 -7.274 -8.096 1.00 55.31 C ATOM 339 CG ASN A 22 4.681 -8.786 -8.068 1.00 64.05 C ATOM 340 OD1 ASN A 22 3.851 -9.437 -8.701 1.00 35.35 O ATOM 341 ND2 ASN A 22 5.680 -9.363 -7.429 1.00 3.31 N ATOM 0 H ASN A 22 4.143 -4.942 -8.282 1.00 61.12 H new ATOM 0 HA ASN A 22 2.478 -7.151 -8.499 1.00 61.00 H new ATOM 0 HB2 ASN A 22 4.969 -6.917 -9.070 1.00 55.31 H new ATOM 0 HB3 ASN A 22 5.328 -6.875 -7.356 1.00 55.31 H new ATOM 0 HD21 ASN A 22 5.781 -10.378 -7.451 1.00 3.31 H new ATOM 0 HD22 ASN A 22 6.352 -8.795 -6.913 1.00 3.31 H new ATOM 348 N HIS A 23 3.120 -6.464 -5.377 1.00 11.12 N ATOM 349 CA HIS A 23 2.751 -6.819 -4.010 1.00 51.44 C ATOM 350 C HIS A 23 1.274 -6.505 -3.751 1.00 45.33 C ATOM 351 O HIS A 23 0.504 -7.383 -3.357 1.00 61.51 O ATOM 352 CB HIS A 23 3.717 -6.139 -3.032 1.00 33.44 C ATOM 353 CG HIS A 23 4.787 -7.090 -2.563 1.00 15.44 C ATOM 354 ND1 HIS A 23 5.871 -7.502 -3.334 1.00 51.03 N ATOM 355 CD2 HIS A 23 4.859 -7.677 -1.334 1.00 12.15 C ATOM 356 CE1 HIS A 23 6.590 -8.314 -2.544 1.00 54.51 C ATOM 357 NE2 HIS A 23 6.009 -8.436 -1.337 1.00 54.22 N ATOM 0 H HIS A 23 3.658 -5.601 -5.451 1.00 11.12 H new ATOM 0 HA HIS A 23 2.849 -7.893 -3.854 1.00 51.44 H new ATOM 0 HB2 HIS A 23 4.180 -5.278 -3.515 1.00 33.44 H new ATOM 0 HB3 HIS A 23 3.162 -5.762 -2.173 1.00 33.44 H new ATOM 0 HD2 HIS A 23 4.156 -7.569 -0.522 1.00 12.15 H new ATOM 0 HE1 HIS A 23 7.508 -8.802 -2.837 1.00 54.51 H new ATOM 0 HE2 HIS A 23 6.359 -8.994 -0.558 1.00 54.22 H new ATOM 365 N PHE A 24 0.831 -5.281 -4.043 1.00 52.23 N ATOM 366 CA PHE A 24 -0.558 -4.858 -3.831 1.00 20.54 C ATOM 367 C PHE A 24 -1.519 -5.297 -4.945 1.00 31.24 C ATOM 368 O PHE A 24 -2.708 -4.986 -4.893 1.00 42.12 O ATOM 369 CB PHE A 24 -0.587 -3.367 -3.490 1.00 55.14 C ATOM 370 CG PHE A 24 0.249 -3.040 -2.259 1.00 24.32 C ATOM 371 CD1 PHE A 24 -0.138 -3.490 -0.979 1.00 4.42 C ATOM 372 CD2 PHE A 24 1.463 -2.344 -2.397 1.00 70.11 C ATOM 373 CE1 PHE A 24 0.648 -3.187 0.149 1.00 20.10 C ATOM 374 CE2 PHE A 24 2.261 -2.062 -1.277 1.00 73.53 C ATOM 375 CZ PHE A 24 1.850 -2.475 0.001 1.00 14.11 C ATOM 0 H PHE A 24 1.426 -4.551 -4.435 1.00 52.23 H new ATOM 0 HA PHE A 24 -0.960 -5.391 -2.969 1.00 20.54 H new ATOM 0 HB2 PHE A 24 -0.217 -2.795 -4.341 1.00 55.14 H new ATOM 0 HB3 PHE A 24 -1.618 -3.055 -3.320 1.00 55.14 H new ATOM 0 HD1 PHE A 24 -1.042 -4.070 -0.864 1.00 4.42 H new ATOM 0 HD2 PHE A 24 1.785 -2.023 -3.376 1.00 70.11 H new ATOM 0 HE1 PHE A 24 0.326 -3.503 1.130 1.00 20.10 H new ATOM 0 HE2 PHE A 24 3.191 -1.527 -1.398 1.00 73.53 H new ATOM 0 HZ PHE A 24 2.455 -2.246 0.866 1.00 14.11 H new ATOM 385 N LYS A 25 -1.073 -6.121 -5.897 1.00 72.45 N ATOM 386 CA LYS A 25 -1.878 -6.625 -7.007 1.00 3.33 C ATOM 387 C LYS A 25 -3.135 -7.370 -6.562 1.00 11.32 C ATOM 388 O LYS A 25 -4.100 -7.447 -7.321 1.00 53.02 O ATOM 389 CB LYS A 25 -0.968 -7.450 -7.930 1.00 55.53 C ATOM 390 CG LYS A 25 -0.806 -8.955 -7.674 1.00 30.44 C ATOM 391 CD LYS A 25 0.195 -9.499 -8.708 1.00 52.25 C ATOM 392 CE LYS A 25 0.654 -10.939 -8.453 1.00 51.33 C ATOM 393 NZ LYS A 25 1.795 -11.279 -9.328 1.00 32.04 N ATOM 0 H LYS A 25 -0.113 -6.465 -5.915 1.00 72.45 H new ATOM 0 HA LYS A 25 -2.277 -5.779 -7.567 1.00 3.33 H new ATOM 0 HB2 LYS A 25 -1.337 -7.329 -8.948 1.00 55.53 H new ATOM 0 HB3 LYS A 25 0.025 -7.003 -7.896 1.00 55.53 H new ATOM 0 HG2 LYS A 25 -0.445 -9.134 -6.661 1.00 30.44 H new ATOM 0 HG3 LYS A 25 -1.765 -9.464 -7.765 1.00 30.44 H new ATOM 0 HD2 LYS A 25 -0.259 -9.446 -9.697 1.00 52.25 H new ATOM 0 HD3 LYS A 25 1.070 -8.850 -8.724 1.00 52.25 H new ATOM 0 HE2 LYS A 25 0.941 -11.056 -7.408 1.00 51.33 H new ATOM 0 HE3 LYS A 25 -0.171 -11.628 -8.636 1.00 51.33 H new ATOM 0 HZ1 LYS A 25 2.062 -12.273 -9.180 1.00 32.04 H new ATOM 0 HZ2 LYS A 25 1.524 -11.138 -10.322 1.00 32.04 H new ATOM 0 HZ3 LYS A 25 2.603 -10.666 -9.099 1.00 32.04 H new ATOM 407 N ASN A 26 -3.122 -7.967 -5.364 1.00 41.30 N ATOM 408 CA ASN A 26 -4.270 -8.689 -4.811 1.00 61.24 C ATOM 409 C ASN A 26 -5.218 -7.762 -4.049 1.00 74.11 C ATOM 410 O ASN A 26 -6.349 -8.158 -3.764 1.00 74.33 O ATOM 411 CB ASN A 26 -3.818 -9.848 -3.905 1.00 14.14 C ATOM 412 CG ASN A 26 -4.024 -11.169 -4.615 1.00 72.03 C ATOM 413 OD1 ASN A 26 -3.280 -11.516 -5.528 1.00 31.43 O ATOM 414 ND2 ASN A 26 -5.017 -11.957 -4.256 1.00 61.41 N ATOM 0 H ASN A 26 -2.309 -7.962 -4.749 1.00 41.30 H new ATOM 0 HA ASN A 26 -4.817 -9.102 -5.659 1.00 61.24 H new ATOM 0 HB2 ASN A 26 -2.767 -9.727 -3.642 1.00 14.14 H new ATOM 0 HB3 ASN A 26 -4.383 -9.834 -2.973 1.00 14.14 H new ATOM 0 HD21 ASN A 26 -5.162 -12.846 -4.735 1.00 61.41 H new ATOM 0 HD22 ASN A 26 -5.641 -11.678 -3.499 1.00 61.41 H new ATOM 421 N SER A 27 -4.770 -6.560 -3.681 1.00 35.01 N ATOM 422 CA SER A 27 -5.566 -5.577 -2.944 1.00 65.25 C ATOM 423 C SER A 27 -6.128 -4.491 -3.872 1.00 73.25 C ATOM 424 O SER A 27 -7.061 -3.796 -3.483 1.00 65.45 O ATOM 425 CB SER A 27 -4.768 -5.018 -1.755 1.00 43.24 C ATOM 426 OG SER A 27 -3.360 -5.127 -1.900 1.00 35.44 O ATOM 0 H SER A 27 -3.826 -6.237 -3.891 1.00 35.01 H new ATOM 0 HA SER A 27 -6.439 -6.078 -2.525 1.00 65.25 H new ATOM 0 HB2 SER A 27 -5.028 -3.968 -1.618 1.00 43.24 H new ATOM 0 HB3 SER A 27 -5.071 -5.543 -0.849 1.00 43.24 H new ATOM 0 HG SER A 27 -2.920 -4.751 -1.109 1.00 35.44 H new ATOM 432 N SER A 28 -5.624 -4.391 -5.105 1.00 4.34 N ATOM 433 CA SER A 28 -6.050 -3.443 -6.130 1.00 75.34 C ATOM 434 C SER A 28 -6.142 -1.981 -5.652 1.00 42.34 C ATOM 435 O SER A 28 -7.246 -1.451 -5.468 1.00 33.10 O ATOM 436 CB SER A 28 -7.379 -3.918 -6.728 1.00 54.24 C ATOM 437 OG SER A 28 -7.376 -5.298 -7.064 1.00 55.11 O ATOM 0 H SER A 28 -4.872 -5.000 -5.428 1.00 4.34 H new ATOM 0 HA SER A 28 -5.272 -3.430 -6.893 1.00 75.34 H new ATOM 0 HB2 SER A 28 -8.181 -3.725 -6.015 1.00 54.24 H new ATOM 0 HB3 SER A 28 -7.599 -3.333 -7.621 1.00 54.24 H new ATOM 0 HG SER A 28 -8.247 -5.545 -7.438 1.00 55.11 H new ATOM 443 N PRO A 29 -5.000 -1.303 -5.444 1.00 63.01 N ATOM 444 CA PRO A 29 -4.998 0.092 -5.022 1.00 1.34 C ATOM 445 C PRO A 29 -5.583 0.989 -6.123 1.00 52.21 C ATOM 446 O PRO A 29 -5.673 0.620 -7.299 1.00 13.15 O ATOM 447 CB PRO A 29 -3.536 0.429 -4.727 1.00 12.31 C ATOM 448 CG PRO A 29 -2.774 -0.544 -5.627 1.00 74.43 C ATOM 449 CD PRO A 29 -3.641 -1.799 -5.616 1.00 64.11 C ATOM 0 HA PRO A 29 -5.619 0.257 -4.142 1.00 1.34 H new ATOM 0 HB2 PRO A 29 -3.304 1.467 -4.966 1.00 12.31 H new ATOM 0 HB3 PRO A 29 -3.292 0.282 -3.675 1.00 12.31 H new ATOM 0 HG2 PRO A 29 -2.655 -0.148 -6.635 1.00 74.43 H new ATOM 0 HG3 PRO A 29 -1.774 -0.745 -5.244 1.00 74.43 H new ATOM 0 HD2 PRO A 29 -3.538 -2.360 -6.545 1.00 64.11 H new ATOM 0 HD3 PRO A 29 -3.358 -2.470 -4.805 1.00 64.11 H new ATOM 457 N ASP A 30 -6.049 2.171 -5.730 1.00 2.43 N ATOM 458 CA ASP A 30 -6.627 3.153 -6.633 1.00 42.24 C ATOM 459 C ASP A 30 -5.523 4.057 -7.154 1.00 54.50 C ATOM 460 O ASP A 30 -5.458 4.347 -8.351 1.00 73.03 O ATOM 461 CB ASP A 30 -7.664 4.009 -5.904 1.00 1.22 C ATOM 462 CG ASP A 30 -8.446 4.801 -6.936 1.00 75.42 C ATOM 463 OD1 ASP A 30 -9.168 4.148 -7.729 1.00 0.30 O ATOM 464 OD2 ASP A 30 -8.299 6.040 -6.980 1.00 72.41 O ATOM 0 H ASP A 30 -6.034 2.476 -4.757 1.00 2.43 H new ATOM 0 HA ASP A 30 -7.114 2.630 -7.456 1.00 42.24 H new ATOM 0 HB2 ASP A 30 -8.336 3.377 -5.323 1.00 1.22 H new ATOM 0 HB3 ASP A 30 -7.173 4.683 -5.202 1.00 1.22 H new ATOM 469 N GLN A 31 -4.612 4.442 -6.256 1.00 51.02 N ATOM 470 CA GLN A 31 -3.489 5.311 -6.541 1.00 25.34 C ATOM 471 C GLN A 31 -2.233 4.776 -5.855 1.00 21.44 C ATOM 472 O GLN A 31 -2.343 4.101 -4.831 1.00 23.51 O ATOM 473 CB GLN A 31 -3.838 6.704 -6.016 1.00 13.20 C ATOM 474 CG GLN A 31 -3.117 7.844 -6.735 1.00 15.53 C ATOM 475 CD GLN A 31 -3.640 8.112 -8.137 1.00 3.35 C ATOM 476 OE1 GLN A 31 -4.763 7.780 -8.489 1.00 45.02 O ATOM 477 NE2 GLN A 31 -2.815 8.680 -9.002 1.00 12.20 N ATOM 0 H GLN A 31 -4.646 4.142 -5.282 1.00 51.02 H new ATOM 0 HA GLN A 31 -3.292 5.353 -7.612 1.00 25.34 H new ATOM 0 HB2 GLN A 31 -4.914 6.855 -6.107 1.00 13.20 H new ATOM 0 HB3 GLN A 31 -3.598 6.750 -4.954 1.00 13.20 H new ATOM 0 HG2 GLN A 31 -3.212 8.753 -6.142 1.00 15.53 H new ATOM 0 HG3 GLN A 31 -2.054 7.610 -6.792 1.00 15.53 H new ATOM 0 HE21 GLN A 31 -1.878 8.957 -8.707 1.00 12.20 H new ATOM 0 HE22 GLN A 31 -3.116 8.841 -9.963 1.00 12.20 H new ATOM 486 N ILE A 32 -1.049 5.082 -6.397 1.00 14.10 N ATOM 487 CA ILE A 32 0.249 4.649 -5.890 1.00 23.31 C ATOM 488 C ILE A 32 1.253 5.790 -6.105 1.00 12.12 C ATOM 489 O ILE A 32 1.473 6.214 -7.249 1.00 31.53 O ATOM 490 CB ILE A 32 0.715 3.366 -6.637 1.00 42.51 C ATOM 491 CG1 ILE A 32 -0.294 2.197 -6.552 1.00 43.25 C ATOM 492 CG2 ILE A 32 2.070 2.848 -6.113 1.00 0.11 C ATOM 493 CD1 ILE A 32 -0.074 1.149 -7.648 1.00 35.02 C ATOM 0 H ILE A 32 -0.970 5.661 -7.233 1.00 14.10 H new ATOM 0 HA ILE A 32 0.179 4.412 -4.828 1.00 23.31 H new ATOM 0 HB ILE A 32 0.802 3.683 -7.676 1.00 42.51 H new ATOM 0 HG12 ILE A 32 -0.210 1.720 -5.576 1.00 43.25 H new ATOM 0 HG13 ILE A 32 -1.308 2.590 -6.629 1.00 43.25 H new ATOM 0 HG21 ILE A 32 2.355 1.952 -6.664 1.00 0.11 H new ATOM 0 HG22 ILE A 32 2.831 3.616 -6.251 1.00 0.11 H new ATOM 0 HG23 ILE A 32 1.983 2.610 -5.053 1.00 0.11 H new ATOM 0 HD11 ILE A 32 -0.809 0.351 -7.541 1.00 35.02 H new ATOM 0 HD12 ILE A 32 -0.185 1.617 -8.626 1.00 35.02 H new ATOM 0 HD13 ILE A 32 0.929 0.732 -7.557 1.00 35.02 H new ATOM 505 N ARG A 33 1.871 6.291 -5.032 1.00 73.11 N ATOM 506 CA ARG A 33 2.872 7.350 -5.049 1.00 41.42 C ATOM 507 C ARG A 33 4.049 6.903 -4.189 1.00 4.24 C ATOM 508 O ARG A 33 3.963 6.960 -2.964 1.00 44.33 O ATOM 509 CB ARG A 33 2.288 8.684 -4.539 1.00 72.31 C ATOM 510 CG ARG A 33 2.693 9.906 -5.362 1.00 60.34 C ATOM 511 CD ARG A 33 4.197 10.085 -5.627 1.00 55.51 C ATOM 512 NE ARG A 33 4.572 9.494 -6.922 1.00 23.41 N ATOM 513 CZ ARG A 33 5.772 9.544 -7.509 1.00 13.13 C ATOM 514 NH1 ARG A 33 6.830 10.063 -6.903 1.00 72.13 N ATOM 515 NH2 ARG A 33 5.909 9.068 -8.735 1.00 1.11 N ATOM 0 H ARG A 33 1.676 5.952 -4.090 1.00 73.11 H new ATOM 0 HA ARG A 33 3.203 7.525 -6.072 1.00 41.42 H new ATOM 0 HB2 ARG A 33 1.200 8.611 -4.531 1.00 72.31 H new ATOM 0 HB3 ARG A 33 2.605 8.835 -3.507 1.00 72.31 H new ATOM 0 HG2 ARG A 33 2.181 9.856 -6.323 1.00 60.34 H new ATOM 0 HG3 ARG A 33 2.328 10.797 -4.852 1.00 60.34 H new ATOM 0 HD2 ARG A 33 4.449 11.145 -5.619 1.00 55.51 H new ATOM 0 HD3 ARG A 33 4.770 9.615 -4.828 1.00 55.51 H new ATOM 0 HE ARG A 33 3.839 8.994 -7.424 1.00 23.41 H new ATOM 0 HH11 ARG A 33 6.743 10.440 -5.959 1.00 72.13 H new ATOM 0 HH12 ARG A 33 7.731 10.085 -7.380 1.00 72.13 H new ATOM 0 HH21 ARG A 33 5.105 8.669 -9.220 1.00 1.11 H new ATOM 0 HH22 ARG A 33 6.819 9.099 -9.196 1.00 1.11 H new ATOM 529 N LEU A 34 5.148 6.496 -4.819 1.00 53.44 N ATOM 530 CA LEU A 34 6.373 6.052 -4.165 1.00 74.23 C ATOM 531 C LEU A 34 7.270 7.269 -3.973 1.00 14.40 C ATOM 532 O LEU A 34 7.664 7.885 -4.967 1.00 34.21 O ATOM 533 CB LEU A 34 7.021 4.942 -5.024 1.00 60.12 C ATOM 534 CG LEU A 34 8.390 4.374 -4.572 1.00 3.44 C ATOM 535 CD1 LEU A 34 9.559 5.204 -5.109 1.00 51.04 C ATOM 536 CD2 LEU A 34 8.499 4.265 -3.052 1.00 11.01 C ATOM 0 H LEU A 34 5.211 6.466 -5.837 1.00 53.44 H new ATOM 0 HA LEU A 34 6.185 5.621 -3.182 1.00 74.23 H new ATOM 0 HB2 LEU A 34 6.318 4.111 -5.081 1.00 60.12 H new ATOM 0 HB3 LEU A 34 7.139 5.330 -6.036 1.00 60.12 H new ATOM 0 HG LEU A 34 8.448 3.371 -4.994 1.00 3.44 H new ATOM 0 HD11 LEU A 34 10.499 4.771 -4.768 1.00 51.04 H new ATOM 0 HD12 LEU A 34 9.534 5.206 -6.199 1.00 51.04 H new ATOM 0 HD13 LEU A 34 9.477 6.227 -4.743 1.00 51.04 H new ATOM 0 HD21 LEU A 34 9.476 3.862 -2.785 1.00 11.01 H new ATOM 0 HD22 LEU A 34 8.380 5.253 -2.607 1.00 11.01 H new ATOM 0 HD23 LEU A 34 7.719 3.602 -2.678 1.00 11.01 H new ATOM 548 N ARG A 35 7.562 7.652 -2.724 1.00 1.22 N ATOM 549 CA ARG A 35 8.425 8.775 -2.377 1.00 32.03 C ATOM 550 C ARG A 35 9.705 8.189 -1.798 1.00 5.44 C ATOM 551 O ARG A 35 9.863 8.040 -0.580 1.00 55.14 O ATOM 552 CB ARG A 35 7.747 9.754 -1.412 1.00 11.12 C ATOM 553 CG ARG A 35 6.589 10.507 -2.085 1.00 24.24 C ATOM 554 CD ARG A 35 6.295 11.795 -1.316 1.00 71.13 C ATOM 555 NE ARG A 35 5.390 12.674 -2.076 1.00 43.01 N ATOM 556 CZ ARG A 35 5.708 13.795 -2.735 1.00 41.44 C ATOM 557 NH1 ARG A 35 6.894 14.376 -2.590 1.00 74.30 N ATOM 558 NH2 ARG A 35 4.818 14.323 -3.565 1.00 20.24 N ATOM 0 H ARG A 35 7.190 7.170 -1.906 1.00 1.22 H new ATOM 0 HA ARG A 35 8.647 9.368 -3.264 1.00 32.03 H new ATOM 0 HB2 ARG A 35 7.372 9.209 -0.545 1.00 11.12 H new ATOM 0 HB3 ARG A 35 8.482 10.470 -1.045 1.00 11.12 H new ATOM 0 HG2 ARG A 35 6.846 10.740 -3.118 1.00 24.24 H new ATOM 0 HG3 ARG A 35 5.700 9.877 -2.112 1.00 24.24 H new ATOM 0 HD2 ARG A 35 5.846 11.552 -0.353 1.00 71.13 H new ATOM 0 HD3 ARG A 35 7.228 12.320 -1.110 1.00 71.13 H new ATOM 0 HE ARG A 35 4.409 12.397 -2.103 1.00 43.01 H new ATOM 0 HH11 ARG A 35 7.589 13.968 -1.964 1.00 74.30 H new ATOM 0 HH12 ARG A 35 7.110 15.230 -3.105 1.00 74.30 H new ATOM 0 HH21 ARG A 35 3.910 13.875 -3.692 1.00 20.24 H new ATOM 0 HH22 ARG A 35 5.041 15.177 -4.076 1.00 20.24 H new ATOM 572 N ALA A 36 10.639 7.848 -2.687 1.00 43.23 N ATOM 573 CA ALA A 36 11.930 7.284 -2.302 1.00 22.34 C ATOM 574 C ALA A 36 12.707 8.234 -1.385 1.00 2.24 C ATOM 575 O ALA A 36 13.506 7.760 -0.585 1.00 71.43 O ATOM 576 CB ALA A 36 12.750 6.941 -3.540 1.00 43.51 C ATOM 0 H ALA A 36 10.520 7.956 -3.694 1.00 43.23 H new ATOM 0 HA ALA A 36 11.741 6.368 -1.742 1.00 22.34 H new ATOM 0 HB1 ALA A 36 13.709 6.522 -3.236 1.00 43.51 H new ATOM 0 HB2 ALA A 36 12.210 6.212 -4.144 1.00 43.51 H new ATOM 0 HB3 ALA A 36 12.918 7.844 -4.127 1.00 43.51 H new ATOM 582 N ASP A 37 12.392 9.537 -1.428 1.00 11.34 N ATOM 583 CA ASP A 37 12.986 10.628 -0.653 1.00 3.32 C ATOM 584 C ASP A 37 13.004 10.330 0.852 1.00 71.52 C ATOM 585 O ASP A 37 13.856 10.864 1.563 1.00 73.21 O ATOM 586 CB ASP A 37 12.178 11.922 -0.863 1.00 32.03 C ATOM 587 CG ASP A 37 12.298 12.580 -2.236 1.00 61.21 C ATOM 588 OD1 ASP A 37 13.081 12.127 -3.104 1.00 11.14 O ATOM 589 OD2 ASP A 37 11.557 13.555 -2.488 1.00 23.45 O ATOM 0 H ASP A 37 11.661 9.877 -2.053 1.00 11.34 H new ATOM 0 HA ASP A 37 14.012 10.739 -1.005 1.00 3.32 H new ATOM 0 HB2 ASP A 37 11.126 11.702 -0.680 1.00 32.03 H new ATOM 0 HB3 ASP A 37 12.488 12.645 -0.109 1.00 32.03 H new ATOM 594 N LYS A 38 12.048 9.551 1.350 1.00 31.14 N ATOM 595 CA LYS A 38 11.941 9.134 2.756 1.00 53.12 C ATOM 596 C LYS A 38 11.677 7.626 2.846 1.00 53.22 C ATOM 597 O LYS A 38 11.345 7.142 3.927 1.00 31.15 O ATOM 598 CB LYS A 38 10.882 9.976 3.506 1.00 2.13 C ATOM 599 CG LYS A 38 11.431 11.300 4.053 1.00 43.44 C ATOM 600 CD LYS A 38 10.403 11.988 4.968 1.00 13.22 C ATOM 601 CE LYS A 38 10.830 13.426 5.288 1.00 2.33 C ATOM 602 NZ LYS A 38 10.025 14.032 6.374 1.00 31.52 N ATOM 0 H LYS A 38 11.297 9.176 0.770 1.00 31.14 H new ATOM 0 HA LYS A 38 12.891 9.322 3.256 1.00 53.12 H new ATOM 0 HB2 LYS A 38 10.052 10.187 2.832 1.00 2.13 H new ATOM 0 HB3 LYS A 38 10.480 9.389 4.332 1.00 2.13 H new ATOM 0 HG2 LYS A 38 12.351 11.115 4.608 1.00 43.44 H new ATOM 0 HG3 LYS A 38 11.686 11.962 3.225 1.00 43.44 H new ATOM 0 HD2 LYS A 38 9.426 11.994 4.484 1.00 13.22 H new ATOM 0 HD3 LYS A 38 10.297 11.421 5.893 1.00 13.22 H new ATOM 0 HE2 LYS A 38 11.882 13.434 5.573 1.00 2.33 H new ATOM 0 HE3 LYS A 38 10.739 14.036 4.390 1.00 2.33 H new ATOM 0 HZ1 LYS A 38 10.354 15.003 6.550 1.00 31.52 H new ATOM 0 HZ2 LYS A 38 9.024 14.052 6.094 1.00 31.52 H new ATOM 0 HZ3 LYS A 38 10.131 13.468 7.241 1.00 31.52 H new ATOM 616 N GLY A 39 11.777 6.881 1.737 1.00 20.51 N ATOM 617 CA GLY A 39 11.539 5.441 1.689 1.00 42.45 C ATOM 618 C GLY A 39 10.113 5.120 2.127 1.00 20.22 C ATOM 619 O GLY A 39 9.916 4.239 2.964 1.00 32.34 O ATOM 0 H GLY A 39 12.031 7.276 0.831 1.00 20.51 H new ATOM 0 HA2 GLY A 39 11.707 5.072 0.677 1.00 42.45 H new ATOM 0 HA3 GLY A 39 12.249 4.927 2.337 1.00 42.45 H new ATOM 623 N ILE A 40 9.119 5.825 1.585 1.00 12.20 N ATOM 624 CA ILE A 40 7.702 5.669 1.901 1.00 53.24 C ATOM 625 C ILE A 40 6.860 5.698 0.631 1.00 45.55 C ATOM 626 O ILE A 40 7.364 6.033 -0.444 1.00 61.43 O ATOM 627 CB ILE A 40 7.245 6.776 2.888 1.00 1.14 C ATOM 628 CG1 ILE A 40 7.911 8.121 2.588 1.00 32.05 C ATOM 629 CG2 ILE A 40 7.563 6.372 4.334 1.00 63.23 C ATOM 630 CD1 ILE A 40 7.251 9.328 3.266 1.00 63.11 C ATOM 0 H ILE A 40 9.288 6.549 0.886 1.00 12.20 H new ATOM 0 HA ILE A 40 7.559 4.700 2.379 1.00 53.24 H new ATOM 0 HB ILE A 40 6.168 6.888 2.761 1.00 1.14 H new ATOM 0 HG12 ILE A 40 8.954 8.072 2.900 1.00 32.05 H new ATOM 0 HG13 ILE A 40 7.908 8.280 1.510 1.00 32.05 H new ATOM 0 HG21 ILE A 40 7.236 7.160 5.012 1.00 63.23 H new ATOM 0 HG22 ILE A 40 7.042 5.446 4.576 1.00 63.23 H new ATOM 0 HG23 ILE A 40 8.637 6.223 4.442 1.00 63.23 H new ATOM 0 HD11 ILE A 40 7.790 10.236 2.996 1.00 63.11 H new ATOM 0 HD12 ILE A 40 6.215 9.409 2.936 1.00 63.11 H new ATOM 0 HD13 ILE A 40 7.278 9.198 4.348 1.00 63.11 H new ATOM 642 N ALA A 41 5.592 5.309 0.755 1.00 50.23 N ATOM 643 CA ALA A 41 4.629 5.287 -0.328 1.00 15.24 C ATOM 644 C ALA A 41 3.212 5.473 0.239 1.00 42.24 C ATOM 645 O ALA A 41 2.969 5.169 1.414 1.00 2.31 O ATOM 646 CB ALA A 41 4.759 3.965 -1.085 1.00 42.34 C ATOM 0 H ALA A 41 5.201 4.992 1.642 1.00 50.23 H new ATOM 0 HA ALA A 41 4.822 6.103 -1.024 1.00 15.24 H new ATOM 0 HB1 ALA A 41 4.037 3.941 -1.902 1.00 42.34 H new ATOM 0 HB2 ALA A 41 5.767 3.875 -1.489 1.00 42.34 H new ATOM 0 HB3 ALA A 41 4.565 3.136 -0.405 1.00 42.34 H new ATOM 652 N PHE A 42 2.276 5.967 -0.577 1.00 24.44 N ATOM 653 CA PHE A 42 0.876 6.202 -0.208 1.00 44.41 C ATOM 654 C PHE A 42 -0.006 5.477 -1.209 1.00 73.42 C ATOM 655 O PHE A 42 0.156 5.670 -2.420 1.00 0.43 O ATOM 656 CB PHE A 42 0.535 7.701 -0.213 1.00 4.23 C ATOM 657 CG PHE A 42 1.177 8.498 0.903 1.00 14.34 C ATOM 658 CD1 PHE A 42 0.714 8.357 2.227 1.00 55.15 C ATOM 659 CD2 PHE A 42 2.234 9.384 0.624 1.00 52.33 C ATOM 660 CE1 PHE A 42 1.303 9.106 3.261 1.00 53.13 C ATOM 661 CE2 PHE A 42 2.842 10.105 1.669 1.00 32.33 C ATOM 662 CZ PHE A 42 2.360 9.988 2.984 1.00 40.20 C ATOM 0 H PHE A 42 2.478 6.223 -1.544 1.00 24.44 H new ATOM 0 HA PHE A 42 0.708 5.829 0.802 1.00 44.41 H new ATOM 0 HB2 PHE A 42 0.842 8.127 -1.168 1.00 4.23 H new ATOM 0 HB3 PHE A 42 -0.547 7.814 -0.146 1.00 4.23 H new ATOM 0 HD1 PHE A 42 -0.093 7.674 2.447 1.00 55.15 H new ATOM 0 HD2 PHE A 42 2.579 9.511 -0.392 1.00 52.33 H new ATOM 0 HE1 PHE A 42 0.941 9.002 4.273 1.00 53.13 H new ATOM 0 HE2 PHE A 42 3.682 10.751 1.459 1.00 32.33 H new ATOM 0 HZ PHE A 42 2.800 10.574 3.778 1.00 40.20 H new ATOM 672 N LEU A 43 -0.909 4.626 -0.725 1.00 55.04 N ATOM 673 CA LEU A 43 -1.818 3.854 -1.559 1.00 45.33 C ATOM 674 C LEU A 43 -3.240 4.199 -1.154 1.00 62.15 C ATOM 675 O LEU A 43 -3.622 3.958 -0.012 1.00 33.21 O ATOM 676 CB LEU A 43 -1.549 2.346 -1.456 1.00 53.02 C ATOM 677 CG LEU A 43 -0.206 1.915 -2.072 1.00 61.35 C ATOM 678 CD1 LEU A 43 0.934 1.900 -1.045 1.00 30.12 C ATOM 679 CD2 LEU A 43 -0.313 0.515 -2.671 1.00 2.43 C ATOM 0 H LEU A 43 -1.029 4.453 0.273 1.00 55.04 H new ATOM 0 HA LEU A 43 -1.660 4.113 -2.606 1.00 45.33 H new ATOM 0 HB2 LEU A 43 -1.568 2.053 -0.406 1.00 53.02 H new ATOM 0 HB3 LEU A 43 -2.356 1.807 -1.952 1.00 53.02 H new ATOM 0 HG LEU A 43 0.021 2.651 -2.843 1.00 61.35 H new ATOM 0 HD11 LEU A 43 1.858 1.589 -1.532 1.00 30.12 H new ATOM 0 HD12 LEU A 43 1.062 2.899 -0.628 1.00 30.12 H new ATOM 0 HD13 LEU A 43 0.693 1.201 -0.244 1.00 30.12 H new ATOM 0 HD21 LEU A 43 0.647 0.229 -3.101 1.00 2.43 H new ATOM 0 HD22 LEU A 43 -0.587 -0.195 -1.890 1.00 2.43 H new ATOM 0 HD23 LEU A 43 -1.076 0.510 -3.450 1.00 2.43 H new ATOM 691 N GLU A 44 -3.971 4.867 -2.040 1.00 3.41 N ATOM 692 CA GLU A 44 -5.359 5.273 -1.830 1.00 25.35 C ATOM 693 C GLU A 44 -6.235 4.148 -2.370 1.00 12.34 C ATOM 694 O GLU A 44 -5.808 3.406 -3.260 1.00 33.30 O ATOM 695 CB GLU A 44 -5.659 6.522 -2.661 1.00 12.22 C ATOM 696 CG GLU A 44 -4.918 7.772 -2.171 1.00 15.11 C ATOM 697 CD GLU A 44 -4.428 8.617 -3.345 1.00 31.53 C ATOM 698 OE1 GLU A 44 -5.242 8.970 -4.233 1.00 72.11 O ATOM 699 OE2 GLU A 44 -3.205 8.884 -3.381 1.00 30.23 O ATOM 0 H GLU A 44 -3.606 5.149 -2.949 1.00 3.41 H new ATOM 0 HA GLU A 44 -5.541 5.475 -0.774 1.00 25.35 H new ATOM 0 HB2 GLU A 44 -5.388 6.332 -3.700 1.00 12.22 H new ATOM 0 HB3 GLU A 44 -6.732 6.714 -2.641 1.00 12.22 H new ATOM 0 HG2 GLU A 44 -5.580 8.367 -1.542 1.00 15.11 H new ATOM 0 HG3 GLU A 44 -4.070 7.477 -1.553 1.00 15.11 H new ATOM 706 N PHE A 45 -7.465 4.040 -1.880 1.00 32.44 N ATOM 707 CA PHE A 45 -8.428 3.033 -2.297 1.00 64.35 C ATOM 708 C PHE A 45 -9.808 3.691 -2.276 1.00 24.11 C ATOM 709 O PHE A 45 -10.035 4.556 -1.428 1.00 22.23 O ATOM 710 CB PHE A 45 -8.380 1.844 -1.320 1.00 54.45 C ATOM 711 CG PHE A 45 -7.093 1.028 -1.294 1.00 21.44 C ATOM 712 CD1 PHE A 45 -5.923 1.536 -0.690 1.00 74.41 C ATOM 713 CD2 PHE A 45 -7.089 -0.295 -1.777 1.00 44.22 C ATOM 714 CE1 PHE A 45 -4.750 0.763 -0.639 1.00 32.35 C ATOM 715 CE2 PHE A 45 -5.930 -1.082 -1.675 1.00 62.33 C ATOM 716 CZ PHE A 45 -4.746 -0.549 -1.140 1.00 14.23 C ATOM 0 H PHE A 45 -7.827 4.668 -1.163 1.00 32.44 H new ATOM 0 HA PHE A 45 -8.204 2.659 -3.296 1.00 64.35 H new ATOM 0 HB2 PHE A 45 -8.562 2.223 -0.314 1.00 54.45 H new ATOM 0 HB3 PHE A 45 -9.204 1.172 -1.562 1.00 54.45 H new ATOM 0 HD1 PHE A 45 -5.929 2.528 -0.263 1.00 74.41 H new ATOM 0 HD2 PHE A 45 -7.980 -0.706 -2.227 1.00 44.22 H new ATOM 0 HE1 PHE A 45 -3.849 1.179 -0.213 1.00 32.35 H new ATOM 0 HE2 PHE A 45 -5.950 -2.108 -2.012 1.00 62.33 H new ATOM 0 HZ PHE A 45 -3.843 -1.141 -1.114 1.00 14.23 H new ATOM 726 N ASP A 46 -10.736 3.288 -3.147 1.00 21.51 N ATOM 727 CA ASP A 46 -12.098 3.852 -3.176 1.00 2.04 C ATOM 728 C ASP A 46 -13.092 2.910 -2.501 1.00 20.21 C ATOM 729 O ASP A 46 -13.351 1.811 -3.001 1.00 73.43 O ATOM 730 CB ASP A 46 -12.612 4.198 -4.577 1.00 24.54 C ATOM 731 CG ASP A 46 -14.040 4.766 -4.450 1.00 1.24 C ATOM 732 OD1 ASP A 46 -14.315 5.505 -3.473 1.00 2.41 O ATOM 733 OD2 ASP A 46 -14.911 4.402 -5.263 1.00 32.41 O ATOM 0 H ASP A 46 -10.572 2.567 -3.850 1.00 21.51 H new ATOM 0 HA ASP A 46 -12.022 4.790 -2.627 1.00 2.04 H new ATOM 0 HB2 ASP A 46 -11.955 4.927 -5.052 1.00 24.54 H new ATOM 0 HB3 ASP A 46 -12.613 3.310 -5.210 1.00 24.54 H new ATOM 738 N ALA A 47 -13.624 3.298 -1.342 1.00 44.52 N ATOM 739 CA ALA A 47 -14.590 2.508 -0.597 1.00 3.25 C ATOM 740 C ALA A 47 -15.939 2.483 -1.298 1.00 35.15 C ATOM 741 O ALA A 47 -16.726 1.568 -1.038 1.00 42.31 O ATOM 742 CB ALA A 47 -14.780 3.059 0.820 1.00 42.21 C ATOM 0 H ALA A 47 -13.389 4.183 -0.892 1.00 44.52 H new ATOM 0 HA ALA A 47 -14.194 1.494 -0.541 1.00 3.25 H new ATOM 0 HB1 ALA A 47 -15.508 2.448 1.353 1.00 42.21 H new ATOM 0 HB2 ALA A 47 -13.828 3.035 1.350 1.00 42.21 H new ATOM 0 HB3 ALA A 47 -15.139 4.087 0.766 1.00 42.21 H new ATOM 748 N ASP A 48 -16.255 3.479 -2.131 1.00 5.45 N ATOM 749 CA ASP A 48 -17.537 3.487 -2.823 1.00 72.04 C ATOM 750 C ASP A 48 -17.549 2.441 -3.938 1.00 51.01 C ATOM 751 O ASP A 48 -18.601 1.865 -4.232 1.00 45.13 O ATOM 752 CB ASP A 48 -17.885 4.879 -3.355 1.00 15.44 C ATOM 753 CG ASP A 48 -19.349 4.908 -3.787 1.00 60.45 C ATOM 754 OD1 ASP A 48 -20.237 4.762 -2.908 1.00 1.44 O ATOM 755 OD2 ASP A 48 -19.629 5.056 -4.999 1.00 50.41 O ATOM 0 H ASP A 48 -15.650 4.274 -2.337 1.00 5.45 H new ATOM 0 HA ASP A 48 -18.310 3.223 -2.101 1.00 72.04 H new ATOM 0 HB2 ASP A 48 -17.707 5.629 -2.585 1.00 15.44 H new ATOM 0 HB3 ASP A 48 -17.241 5.129 -4.198 1.00 15.44 H new ATOM 760 N LYS A 49 -16.382 2.123 -4.513 1.00 1.22 N ATOM 761 CA LYS A 49 -16.224 1.145 -5.582 1.00 51.31 C ATOM 762 C LYS A 49 -16.589 -0.262 -5.134 1.00 74.12 C ATOM 763 O LYS A 49 -16.985 -1.052 -5.989 1.00 51.35 O ATOM 764 CB LYS A 49 -14.774 1.172 -6.101 1.00 34.55 C ATOM 765 CG LYS A 49 -14.682 0.759 -7.573 1.00 4.10 C ATOM 766 CD LYS A 49 -13.266 1.009 -8.112 1.00 74.24 C ATOM 767 CE LYS A 49 -13.195 0.789 -9.628 1.00 54.21 C ATOM 768 NZ LYS A 49 -11.829 1.019 -10.137 1.00 15.34 N ATOM 0 H LYS A 49 -15.501 2.555 -4.235 1.00 1.22 H new ATOM 0 HA LYS A 49 -16.911 1.419 -6.383 1.00 51.31 H new ATOM 0 HB2 LYS A 49 -14.365 2.175 -5.980 1.00 34.55 H new ATOM 0 HB3 LYS A 49 -14.161 0.502 -5.498 1.00 34.55 H new ATOM 0 HG2 LYS A 49 -14.937 -0.296 -7.678 1.00 4.10 H new ATOM 0 HG3 LYS A 49 -15.407 1.322 -8.161 1.00 4.10 H new ATOM 0 HD2 LYS A 49 -12.961 2.029 -7.877 1.00 74.24 H new ATOM 0 HD3 LYS A 49 -12.563 0.342 -7.613 1.00 74.24 H new ATOM 0 HE2 LYS A 49 -13.508 -0.228 -9.866 1.00 54.21 H new ATOM 0 HE3 LYS A 49 -13.891 1.462 -10.129 1.00 54.21 H new ATOM 0 HZ1 LYS A 49 -11.811 0.863 -11.165 1.00 15.34 H new ATOM 0 HZ2 LYS A 49 -11.541 1.997 -9.930 1.00 15.34 H new ATOM 0 HZ3 LYS A 49 -11.171 0.359 -9.675 1.00 15.34 H new ATOM 782 N ASP A 50 -16.426 -0.593 -3.852 1.00 62.21 N ATOM 783 CA ASP A 50 -16.747 -1.913 -3.316 1.00 42.32 C ATOM 784 C ASP A 50 -16.955 -1.776 -1.808 1.00 21.12 C ATOM 785 O ASP A 50 -16.021 -1.974 -1.026 1.00 72.14 O ATOM 786 CB ASP A 50 -15.626 -2.902 -3.669 1.00 73.43 C ATOM 787 CG ASP A 50 -15.994 -4.357 -3.394 1.00 75.32 C ATOM 788 OD1 ASP A 50 -17.019 -4.649 -2.723 1.00 43.33 O ATOM 789 OD2 ASP A 50 -15.230 -5.222 -3.868 1.00 4.42 O ATOM 0 H ASP A 50 -16.064 0.055 -3.152 1.00 62.21 H new ATOM 0 HA ASP A 50 -17.664 -2.307 -3.755 1.00 42.32 H new ATOM 0 HB2 ASP A 50 -15.373 -2.792 -4.723 1.00 73.43 H new ATOM 0 HB3 ASP A 50 -14.733 -2.647 -3.099 1.00 73.43 H new ATOM 794 N ARG A 51 -18.179 -1.434 -1.394 1.00 52.24 N ATOM 795 CA ARG A 51 -18.577 -1.216 0.004 1.00 63.13 C ATOM 796 C ARG A 51 -18.157 -2.295 0.985 1.00 62.34 C ATOM 797 O ARG A 51 -17.798 -1.940 2.110 1.00 54.51 O ATOM 798 CB ARG A 51 -20.084 -0.965 0.108 1.00 5.22 C ATOM 799 CG ARG A 51 -20.434 0.441 -0.400 1.00 33.33 C ATOM 800 CD ARG A 51 -21.671 0.435 -1.288 1.00 54.31 C ATOM 801 NE ARG A 51 -21.751 1.694 -2.040 1.00 72.44 N ATOM 802 CZ ARG A 51 -22.417 1.910 -3.175 1.00 31.12 C ATOM 803 NH1 ARG A 51 -23.182 0.957 -3.689 1.00 11.23 N ATOM 804 NH2 ARG A 51 -22.311 3.081 -3.782 1.00 33.12 N ATOM 0 H ARG A 51 -18.951 -1.296 -2.047 1.00 52.24 H new ATOM 0 HA ARG A 51 -18.020 -0.329 0.306 1.00 63.13 H new ATOM 0 HB2 ARG A 51 -20.624 -1.712 -0.474 1.00 5.22 H new ATOM 0 HB3 ARG A 51 -20.406 -1.074 1.144 1.00 5.22 H new ATOM 0 HG2 ARG A 51 -20.601 1.102 0.450 1.00 33.33 H new ATOM 0 HG3 ARG A 51 -19.589 0.846 -0.958 1.00 33.33 H new ATOM 0 HD2 ARG A 51 -21.631 -0.409 -1.977 1.00 54.31 H new ATOM 0 HD3 ARG A 51 -22.566 0.307 -0.679 1.00 54.31 H new ATOM 0 HE ARG A 51 -21.242 2.489 -1.652 1.00 72.44 H new ATOM 0 HH11 ARG A 51 -23.262 0.057 -3.216 1.00 11.23 H new ATOM 0 HH12 ARG A 51 -23.691 1.124 -4.557 1.00 11.23 H new ATOM 0 HH21 ARG A 51 -21.723 3.812 -3.381 1.00 33.12 H new ATOM 0 HH22 ARG A 51 -22.818 3.253 -4.650 1.00 33.12 H new ATOM 818 N THR A 52 -18.158 -3.571 0.601 1.00 1.12 N ATOM 819 CA THR A 52 -17.753 -4.642 1.514 1.00 13.52 C ATOM 820 C THR A 52 -16.371 -5.210 1.154 1.00 35.24 C ATOM 821 O THR A 52 -15.723 -5.851 1.986 1.00 60.42 O ATOM 822 CB THR A 52 -18.836 -5.730 1.625 1.00 20.54 C ATOM 823 OG1 THR A 52 -20.131 -5.322 1.204 1.00 14.44 O ATOM 824 CG2 THR A 52 -18.976 -6.147 3.088 1.00 61.31 C ATOM 0 H THR A 52 -18.432 -3.888 -0.329 1.00 1.12 H new ATOM 0 HA THR A 52 -17.651 -4.206 2.508 1.00 13.52 H new ATOM 0 HB THR A 52 -18.503 -6.533 0.968 1.00 20.54 H new ATOM 0 HG1 THR A 52 -20.758 -6.069 1.304 1.00 14.44 H new ATOM 0 HG21 THR A 52 -19.742 -6.918 3.175 1.00 61.31 H new ATOM 0 HG22 THR A 52 -18.024 -6.539 3.447 1.00 61.31 H new ATOM 0 HG23 THR A 52 -19.262 -5.282 3.687 1.00 61.31 H new ATOM 832 N GLY A 53 -15.878 -4.962 -0.062 1.00 74.02 N ATOM 833 CA GLY A 53 -14.579 -5.448 -0.492 1.00 11.34 C ATOM 834 C GLY A 53 -13.454 -4.536 -0.025 1.00 54.13 C ATOM 835 O GLY A 53 -12.353 -5.034 0.183 1.00 22.14 O ATOM 0 H GLY A 53 -16.373 -4.419 -0.770 1.00 74.02 H new ATOM 0 HA2 GLY A 53 -14.419 -6.453 -0.101 1.00 11.34 H new ATOM 0 HA3 GLY A 53 -14.560 -5.522 -1.579 1.00 11.34 H new ATOM 839 N ILE A 54 -13.711 -3.240 0.193 1.00 52.33 N ATOM 840 CA ILE A 54 -12.712 -2.271 0.650 1.00 54.10 C ATOM 841 C ILE A 54 -12.000 -2.780 1.912 1.00 72.25 C ATOM 842 O ILE A 54 -10.781 -2.649 2.029 1.00 1.21 O ATOM 843 CB ILE A 54 -13.360 -0.878 0.816 1.00 60.13 C ATOM 844 CG1 ILE A 54 -12.336 0.199 1.220 1.00 63.24 C ATOM 845 CG2 ILE A 54 -14.508 -0.864 1.829 1.00 42.31 C ATOM 846 CD1 ILE A 54 -11.429 0.618 0.066 1.00 10.53 C ATOM 0 H ILE A 54 -14.635 -2.831 0.054 1.00 52.33 H new ATOM 0 HA ILE A 54 -11.933 -2.159 -0.104 1.00 54.10 H new ATOM 0 HB ILE A 54 -13.764 -0.645 -0.169 1.00 60.13 H new ATOM 0 HG12 ILE A 54 -12.866 1.074 1.595 1.00 63.24 H new ATOM 0 HG13 ILE A 54 -11.723 -0.178 2.039 1.00 63.24 H new ATOM 0 HG21 ILE A 54 -14.920 0.143 1.899 1.00 42.31 H new ATOM 0 HG22 ILE A 54 -15.288 -1.553 1.505 1.00 42.31 H new ATOM 0 HG23 ILE A 54 -14.135 -1.172 2.806 1.00 42.31 H new ATOM 0 HD11 ILE A 54 -10.729 1.379 0.411 1.00 10.53 H new ATOM 0 HD12 ILE A 54 -10.875 -0.249 -0.294 1.00 10.53 H new ATOM 0 HD13 ILE A 54 -12.035 1.023 -0.744 1.00 10.53 H new ATOM 858 N GLN A 55 -12.749 -3.402 2.826 1.00 21.23 N ATOM 859 CA GLN A 55 -12.227 -3.964 4.060 1.00 2.15 C ATOM 860 C GLN A 55 -11.198 -5.042 3.695 1.00 61.11 C ATOM 861 O GLN A 55 -10.037 -4.922 4.068 1.00 1.15 O ATOM 862 CB GLN A 55 -13.416 -4.437 4.905 1.00 45.31 C ATOM 863 CG GLN A 55 -13.046 -5.093 6.229 1.00 24.43 C ATOM 864 CD GLN A 55 -12.662 -6.552 6.041 1.00 24.03 C ATOM 865 OE1 GLN A 55 -11.382 -6.844 6.138 1.00 2.24 O flip ATOM 866 NE2 GLN A 55 -13.504 -7.395 5.743 1.00 13.23 N flip ATOM 0 H GLN A 55 -13.756 -3.528 2.720 1.00 21.23 H new ATOM 0 HA GLN A 55 -11.692 -3.244 4.679 1.00 2.15 H new ATOM 0 HB2 GLN A 55 -14.061 -3.582 5.108 1.00 45.31 H new ATOM 0 HB3 GLN A 55 -14.001 -5.145 4.317 1.00 45.31 H new ATOM 0 HG2 GLN A 55 -12.216 -4.553 6.684 1.00 24.43 H new ATOM 0 HG3 GLN A 55 -13.887 -5.023 6.918 1.00 24.43 H new ATOM 0 HE21 GLN A 55 -14.487 -7.132 5.677 1.00 13.23 H new ATOM 0 HE22 GLN A 55 -13.220 -8.358 5.561 1.00 13.23 H new ATOM 875 N ARG A 56 -11.575 -6.077 2.933 1.00 51.20 N ATOM 876 CA ARG A 56 -10.635 -7.124 2.519 1.00 75.32 C ATOM 877 C ARG A 56 -9.451 -6.535 1.759 1.00 25.33 C ATOM 878 O ARG A 56 -8.328 -6.990 1.959 1.00 11.53 O ATOM 879 CB ARG A 56 -11.311 -8.211 1.682 1.00 25.31 C ATOM 880 CG ARG A 56 -11.785 -9.355 2.590 1.00 32.13 C ATOM 881 CD ARG A 56 -11.873 -10.635 1.767 1.00 62.05 C ATOM 882 NE ARG A 56 -11.963 -11.808 2.637 1.00 51.43 N ATOM 883 CZ ARG A 56 -11.963 -13.083 2.258 1.00 5.23 C ATOM 884 NH1 ARG A 56 -12.167 -13.401 0.984 1.00 12.03 N ATOM 885 NH2 ARG A 56 -11.731 -14.016 3.168 1.00 60.23 N ATOM 0 H ARG A 56 -12.527 -6.211 2.591 1.00 51.20 H new ATOM 0 HA ARG A 56 -10.268 -7.590 3.433 1.00 75.32 H new ATOM 0 HB2 ARG A 56 -12.159 -7.790 1.141 1.00 25.31 H new ATOM 0 HB3 ARG A 56 -10.614 -8.593 0.936 1.00 25.31 H new ATOM 0 HG2 ARG A 56 -11.092 -9.488 3.421 1.00 32.13 H new ATOM 0 HG3 ARG A 56 -12.757 -9.116 3.021 1.00 32.13 H new ATOM 0 HD2 ARG A 56 -12.745 -10.593 1.114 1.00 62.05 H new ATOM 0 HD3 ARG A 56 -10.997 -10.720 1.124 1.00 62.05 H new ATOM 0 HE ARG A 56 -12.033 -11.629 3.639 1.00 51.43 H new ATOM 0 HH11 ARG A 56 -12.324 -12.667 0.294 1.00 12.03 H new ATOM 0 HH12 ARG A 56 -12.166 -14.380 0.696 1.00 12.03 H new ATOM 0 HH21 ARG A 56 -11.557 -13.751 4.137 1.00 60.23 H new ATOM 0 HH22 ARG A 56 -11.726 -15.000 2.900 1.00 60.23 H new ATOM 899 N ARG A 57 -9.667 -5.549 0.886 1.00 33.54 N ATOM 900 CA ARG A 57 -8.585 -4.914 0.139 1.00 51.31 C ATOM 901 C ARG A 57 -7.589 -4.326 1.149 1.00 73.44 C ATOM 902 O ARG A 57 -6.381 -4.447 0.942 1.00 20.31 O ATOM 903 CB ARG A 57 -9.155 -3.846 -0.804 1.00 30.34 C ATOM 904 CG ARG A 57 -9.886 -4.384 -2.042 1.00 60.25 C ATOM 905 CD ARG A 57 -10.541 -3.194 -2.760 1.00 72.33 C ATOM 906 NE ARG A 57 -10.779 -3.458 -4.187 1.00 61.51 N ATOM 907 CZ ARG A 57 -10.781 -2.519 -5.142 1.00 65.13 C ATOM 908 NH1 ARG A 57 -10.924 -1.239 -4.825 1.00 54.43 N ATOM 909 NH2 ARG A 57 -10.633 -2.862 -6.416 1.00 74.13 N ATOM 0 H ARG A 57 -10.592 -5.172 0.679 1.00 33.54 H new ATOM 0 HA ARG A 57 -8.063 -5.639 -0.486 1.00 51.31 H new ATOM 0 HB2 ARG A 57 -9.845 -3.218 -0.240 1.00 30.34 H new ATOM 0 HB3 ARG A 57 -8.338 -3.205 -1.135 1.00 30.34 H new ATOM 0 HG2 ARG A 57 -9.187 -4.892 -2.706 1.00 60.25 H new ATOM 0 HG3 ARG A 57 -10.640 -5.116 -1.752 1.00 60.25 H new ATOM 0 HD2 ARG A 57 -11.488 -2.958 -2.275 1.00 72.33 H new ATOM 0 HD3 ARG A 57 -9.903 -2.316 -2.658 1.00 72.33 H new ATOM 0 HE ARG A 57 -10.955 -4.422 -4.469 1.00 61.51 H new ATOM 0 HH11 ARG A 57 -11.033 -0.965 -3.849 1.00 54.43 H new ATOM 0 HH12 ARG A 57 -10.925 -0.529 -5.557 1.00 54.43 H new ATOM 0 HH21 ARG A 57 -10.517 -3.843 -6.670 1.00 74.13 H new ATOM 0 HH22 ARG A 57 -10.635 -2.144 -7.141 1.00 74.13 H new ATOM 923 N MET A 58 -8.080 -3.712 2.233 1.00 50.15 N ATOM 924 CA MET A 58 -7.249 -3.146 3.283 1.00 43.12 C ATOM 925 C MET A 58 -6.534 -4.289 3.996 1.00 42.34 C ATOM 926 O MET A 58 -5.317 -4.226 4.104 1.00 31.13 O ATOM 927 CB MET A 58 -8.067 -2.332 4.306 1.00 25.21 C ATOM 928 CG MET A 58 -8.020 -0.831 4.050 1.00 32.00 C ATOM 929 SD MET A 58 -8.880 0.147 5.303 1.00 43.02 S ATOM 930 CE MET A 58 -10.485 0.360 4.502 1.00 12.24 C ATOM 0 H MET A 58 -9.080 -3.597 2.400 1.00 50.15 H new ATOM 0 HA MET A 58 -6.538 -2.460 2.824 1.00 43.12 H new ATOM 0 HB2 MET A 58 -9.104 -2.666 4.282 1.00 25.21 H new ATOM 0 HB3 MET A 58 -7.690 -2.536 5.308 1.00 25.21 H new ATOM 0 HG2 MET A 58 -6.979 -0.512 4.004 1.00 32.00 H new ATOM 0 HG3 MET A 58 -8.460 -0.624 3.075 1.00 32.00 H new ATOM 0 HE1 MET A 58 -11.206 0.738 5.227 1.00 12.24 H new ATOM 0 HE2 MET A 58 -10.390 1.070 3.680 1.00 12.24 H new ATOM 0 HE3 MET A 58 -10.828 -0.599 4.115 1.00 12.24 H new ATOM 940 N ASP A 59 -7.240 -5.341 4.427 1.00 15.12 N ATOM 941 CA ASP A 59 -6.666 -6.500 5.129 1.00 13.32 C ATOM 942 C ASP A 59 -5.487 -7.062 4.340 1.00 63.51 C ATOM 943 O ASP A 59 -4.412 -7.274 4.895 1.00 3.12 O ATOM 944 CB ASP A 59 -7.673 -7.641 5.332 1.00 52.44 C ATOM 945 CG ASP A 59 -8.561 -7.528 6.568 1.00 43.23 C ATOM 946 OD1 ASP A 59 -8.719 -6.416 7.121 1.00 51.41 O ATOM 947 OD2 ASP A 59 -9.221 -8.550 6.885 1.00 52.53 O ATOM 0 H ASP A 59 -8.249 -5.414 4.296 1.00 15.12 H new ATOM 0 HA ASP A 59 -6.356 -6.132 6.107 1.00 13.32 H new ATOM 0 HB2 ASP A 59 -8.313 -7.697 4.451 1.00 52.44 H new ATOM 0 HB3 ASP A 59 -7.123 -8.581 5.387 1.00 52.44 H new ATOM 952 N ILE A 60 -5.682 -7.278 3.035 1.00 20.31 N ATOM 953 CA ILE A 60 -4.695 -7.817 2.105 1.00 22.20 C ATOM 954 C ILE A 60 -3.467 -6.908 2.015 1.00 21.42 C ATOM 955 O ILE A 60 -2.371 -7.407 1.752 1.00 65.30 O ATOM 956 CB ILE A 60 -5.381 -8.095 0.741 1.00 10.12 C ATOM 957 CG1 ILE A 60 -6.358 -9.291 0.871 1.00 2.24 C ATOM 958 CG2 ILE A 60 -4.388 -8.392 -0.398 1.00 54.13 C ATOM 959 CD1 ILE A 60 -7.370 -9.390 -0.277 1.00 71.34 C ATOM 0 H ILE A 60 -6.572 -7.072 2.582 1.00 20.31 H new ATOM 0 HA ILE A 60 -4.311 -8.770 2.470 1.00 22.20 H new ATOM 0 HB ILE A 60 -5.913 -7.180 0.481 1.00 10.12 H new ATOM 0 HG12 ILE A 60 -5.782 -10.215 0.916 1.00 2.24 H new ATOM 0 HG13 ILE A 60 -6.899 -9.206 1.814 1.00 2.24 H new ATOM 0 HG21 ILE A 60 -4.938 -8.577 -1.321 1.00 54.13 H new ATOM 0 HG22 ILE A 60 -3.725 -7.538 -0.535 1.00 54.13 H new ATOM 0 HG23 ILE A 60 -3.797 -9.272 -0.145 1.00 54.13 H new ATOM 0 HD11 ILE A 60 -8.019 -10.251 -0.116 1.00 71.34 H new ATOM 0 HD12 ILE A 60 -7.972 -8.482 -0.310 1.00 71.34 H new ATOM 0 HD13 ILE A 60 -6.839 -9.508 -1.221 1.00 71.34 H new ATOM 971 N ALA A 61 -3.623 -5.594 2.184 1.00 11.14 N ATOM 972 CA ALA A 61 -2.513 -4.655 2.150 1.00 44.04 C ATOM 973 C ALA A 61 -1.846 -4.612 3.531 1.00 20.01 C ATOM 974 O ALA A 61 -0.623 -4.539 3.614 1.00 31.12 O ATOM 975 CB ALA A 61 -3.014 -3.264 1.740 1.00 21.30 C ATOM 0 H ALA A 61 -4.529 -5.155 2.349 1.00 11.14 H new ATOM 0 HA ALA A 61 -1.778 -4.979 1.413 1.00 44.04 H new ATOM 0 HB1 ALA A 61 -2.176 -2.568 1.717 1.00 21.30 H new ATOM 0 HB2 ALA A 61 -3.468 -3.318 0.751 1.00 21.30 H new ATOM 0 HB3 ALA A 61 -3.755 -2.917 2.461 1.00 21.30 H new ATOM 981 N LEU A 62 -2.633 -4.675 4.612 1.00 4.25 N ATOM 982 CA LEU A 62 -2.144 -4.635 5.996 1.00 14.00 C ATOM 983 C LEU A 62 -1.343 -5.889 6.308 1.00 41.30 C ATOM 984 O LEU A 62 -0.380 -5.857 7.076 1.00 23.54 O ATOM 985 CB LEU A 62 -3.318 -4.506 6.979 1.00 44.31 C ATOM 986 CG LEU A 62 -3.931 -3.094 6.999 1.00 64.22 C ATOM 987 CD1 LEU A 62 -5.324 -3.165 7.633 1.00 4.45 C ATOM 988 CD2 LEU A 62 -3.041 -2.100 7.763 1.00 23.13 C ATOM 0 H LEU A 62 -3.648 -4.757 4.548 1.00 4.25 H new ATOM 0 HA LEU A 62 -1.498 -3.764 6.107 1.00 14.00 H new ATOM 0 HB2 LEU A 62 -4.090 -5.228 6.712 1.00 44.31 H new ATOM 0 HB3 LEU A 62 -2.975 -4.762 7.982 1.00 44.31 H new ATOM 0 HG LEU A 62 -4.009 -2.732 5.974 1.00 64.22 H new ATOM 0 HD11 LEU A 62 -5.766 -2.169 7.652 1.00 4.45 H new ATOM 0 HD12 LEU A 62 -5.957 -3.832 7.048 1.00 4.45 H new ATOM 0 HD13 LEU A 62 -5.241 -3.544 8.652 1.00 4.45 H new ATOM 0 HD21 LEU A 62 -3.507 -1.115 7.755 1.00 23.13 H new ATOM 0 HD22 LEU A 62 -2.921 -2.437 8.793 1.00 23.13 H new ATOM 0 HD23 LEU A 62 -2.064 -2.043 7.283 1.00 23.13 H new ATOM 1000 N LEU A 63 -1.703 -7.002 5.674 1.00 62.11 N ATOM 1001 CA LEU A 63 -1.027 -8.277 5.828 1.00 74.32 C ATOM 1002 C LEU A 63 0.412 -8.186 5.322 1.00 54.55 C ATOM 1003 O LEU A 63 1.204 -9.075 5.615 1.00 75.54 O ATOM 1004 CB LEU A 63 -1.812 -9.363 5.068 1.00 2.23 C ATOM 1005 CG LEU A 63 -2.922 -9.977 5.943 1.00 13.53 C ATOM 1006 CD1 LEU A 63 -3.931 -10.732 5.074 1.00 30.21 C ATOM 1007 CD2 LEU A 63 -2.350 -10.939 6.989 1.00 1.34 C ATOM 0 H LEU A 63 -2.490 -7.038 5.026 1.00 62.11 H new ATOM 0 HA LEU A 63 -0.989 -8.542 6.885 1.00 74.32 H new ATOM 0 HB2 LEU A 63 -2.253 -8.932 4.169 1.00 2.23 H new ATOM 0 HB3 LEU A 63 -1.128 -10.147 4.743 1.00 2.23 H new ATOM 0 HG LEU A 63 -3.417 -9.154 6.459 1.00 13.53 H new ATOM 0 HD11 LEU A 63 -4.708 -11.160 5.707 1.00 30.21 H new ATOM 0 HD12 LEU A 63 -4.383 -10.044 4.360 1.00 30.21 H new ATOM 0 HD13 LEU A 63 -3.421 -11.531 4.536 1.00 30.21 H new ATOM 0 HD21 LEU A 63 -3.163 -11.352 7.587 1.00 1.34 H new ATOM 0 HD22 LEU A 63 -1.821 -11.749 6.487 1.00 1.34 H new ATOM 0 HD23 LEU A 63 -1.659 -10.401 7.638 1.00 1.34 H new ATOM 1019 N GLN A 64 0.770 -7.119 4.602 1.00 11.55 N ATOM 1020 CA GLN A 64 2.097 -6.896 4.053 1.00 14.45 C ATOM 1021 C GLN A 64 2.996 -6.131 5.045 1.00 54.35 C ATOM 1022 O GLN A 64 4.111 -5.741 4.710 1.00 62.35 O ATOM 1023 CB GLN A 64 1.990 -6.258 2.657 1.00 50.04 C ATOM 1024 CG GLN A 64 0.887 -6.935 1.819 1.00 23.52 C ATOM 1025 CD GLN A 64 0.898 -6.625 0.334 1.00 60.23 C ATOM 1026 OE1 GLN A 64 1.837 -6.053 -0.200 1.00 42.31 O ATOM 1027 NE2 GLN A 64 -0.157 -7.030 -0.355 1.00 63.34 N ATOM 0 H GLN A 64 0.118 -6.366 4.382 1.00 11.55 H new ATOM 0 HA GLN A 64 2.601 -7.852 3.909 1.00 14.45 H new ATOM 0 HB2 GLN A 64 1.774 -5.194 2.756 1.00 50.04 H new ATOM 0 HB3 GLN A 64 2.946 -6.343 2.141 1.00 50.04 H new ATOM 0 HG2 GLN A 64 0.972 -8.014 1.946 1.00 23.52 H new ATOM 0 HG3 GLN A 64 -0.082 -6.642 2.224 1.00 23.52 H new ATOM 0 HE21 GLN A 64 -0.925 -7.505 0.120 1.00 63.34 H new ATOM 0 HE22 GLN A 64 -0.202 -6.867 -1.361 1.00 63.34 H new ATOM 1036 N HIS A 65 2.523 -5.850 6.261 1.00 61.22 N ATOM 1037 CA HIS A 65 3.283 -5.176 7.294 1.00 35.34 C ATOM 1038 C HIS A 65 4.375 -6.153 7.702 1.00 34.11 C ATOM 1039 O HIS A 65 4.093 -7.288 8.104 1.00 52.41 O ATOM 1040 CB HIS A 65 2.371 -4.834 8.475 1.00 52.10 C ATOM 1041 CG HIS A 65 2.938 -3.902 9.509 1.00 73.24 C ATOM 1042 ND1 HIS A 65 4.137 -3.198 9.423 1.00 62.32 N ATOM 1043 CD2 HIS A 65 2.264 -3.506 10.624 1.00 43.40 C ATOM 1044 CE1 HIS A 65 4.156 -2.399 10.504 1.00 51.55 C ATOM 1045 NE2 HIS A 65 3.048 -2.563 11.241 1.00 53.21 N ATOM 0 H HIS A 65 1.577 -6.094 6.553 1.00 61.22 H new ATOM 0 HA HIS A 65 3.711 -4.236 6.947 1.00 35.34 H new ATOM 0 HB2 HIS A 65 1.455 -4.392 8.083 1.00 52.10 H new ATOM 0 HB3 HIS A 65 2.090 -5.764 8.970 1.00 52.10 H new ATOM 0 HD2 HIS A 65 1.301 -3.864 10.958 1.00 43.40 H new ATOM 0 HE1 HIS A 65 4.957 -1.716 10.746 1.00 51.55 H new ATOM 0 HE2 HIS A 65 2.827 -2.073 12.108 1.00 53.21 H new ATOM 1053 N GLY A 66 5.615 -5.722 7.543 1.00 1.45 N ATOM 1054 CA GLY A 66 6.795 -6.502 7.882 1.00 60.35 C ATOM 1055 C GLY A 66 7.322 -7.332 6.718 1.00 53.24 C ATOM 1056 O GLY A 66 8.183 -8.180 6.955 1.00 21.13 O ATOM 0 H GLY A 66 5.835 -4.800 7.166 1.00 1.45 H new ATOM 0 HA2 GLY A 66 7.581 -5.829 8.225 1.00 60.35 H new ATOM 0 HA3 GLY A 66 6.557 -7.165 8.714 1.00 60.35 H new ATOM 1060 N THR A 67 6.820 -7.159 5.490 1.00 61.51 N ATOM 1061 CA THR A 67 7.331 -7.940 4.375 1.00 65.00 C ATOM 1062 C THR A 67 8.766 -7.528 4.067 1.00 71.41 C ATOM 1063 O THR A 67 9.160 -6.370 4.229 1.00 1.50 O ATOM 1064 CB THR A 67 6.442 -7.810 3.124 1.00 43.13 C ATOM 1065 OG1 THR A 67 6.123 -6.461 2.835 1.00 63.43 O ATOM 1066 CG2 THR A 67 5.158 -8.616 3.319 1.00 64.14 C ATOM 0 H THR A 67 6.078 -6.500 5.253 1.00 61.51 H new ATOM 0 HA THR A 67 7.316 -8.990 4.666 1.00 65.00 H new ATOM 0 HB THR A 67 7.004 -8.203 2.277 1.00 43.13 H new ATOM 0 HG1 THR A 67 5.405 -6.160 3.430 1.00 63.43 H new ATOM 0 HG21 THR A 67 4.531 -8.522 2.432 1.00 64.14 H new ATOM 0 HG22 THR A 67 5.408 -9.665 3.477 1.00 64.14 H new ATOM 0 HG23 THR A 67 4.618 -8.236 4.187 1.00 64.14 H new ATOM 1074 N LEU A 68 9.578 -8.507 3.677 1.00 63.34 N ATOM 1075 CA LEU A 68 10.952 -8.272 3.293 1.00 31.15 C ATOM 1076 C LEU A 68 10.839 -8.096 1.791 1.00 14.22 C ATOM 1077 O LEU A 68 10.582 -9.054 1.062 1.00 54.03 O ATOM 1078 CB LEU A 68 11.851 -9.460 3.618 1.00 11.55 C ATOM 1079 CG LEU A 68 12.126 -9.655 5.116 1.00 24.44 C ATOM 1080 CD1 LEU A 68 12.753 -11.030 5.281 1.00 32.45 C ATOM 1081 CD2 LEU A 68 13.101 -8.609 5.665 1.00 21.04 C ATOM 0 H LEU A 68 9.294 -9.485 3.621 1.00 63.34 H new ATOM 0 HA LEU A 68 11.398 -7.427 3.817 1.00 31.15 H new ATOM 0 HB2 LEU A 68 11.391 -10.367 3.224 1.00 11.55 H new ATOM 0 HB3 LEU A 68 12.802 -9.334 3.100 1.00 11.55 H new ATOM 0 HG LEU A 68 11.189 -9.553 5.664 1.00 24.44 H new ATOM 0 HD11 LEU A 68 12.965 -11.209 6.335 1.00 32.45 H new ATOM 0 HD12 LEU A 68 12.063 -11.791 4.915 1.00 32.45 H new ATOM 0 HD13 LEU A 68 13.681 -11.077 4.711 1.00 32.45 H new ATOM 0 HD21 LEU A 68 13.265 -8.787 6.728 1.00 21.04 H new ATOM 0 HD22 LEU A 68 14.050 -8.682 5.134 1.00 21.04 H new ATOM 0 HD23 LEU A 68 12.683 -7.612 5.524 1.00 21.04 H new ATOM 1093 N LEU A 69 10.995 -6.867 1.333 1.00 61.53 N ATOM 1094 CA LEU A 69 10.918 -6.498 -0.070 1.00 62.14 C ATOM 1095 C LEU A 69 12.332 -6.141 -0.448 1.00 54.24 C ATOM 1096 O LEU A 69 12.870 -5.175 0.085 1.00 41.11 O ATOM 1097 CB LEU A 69 9.916 -5.348 -0.259 1.00 30.12 C ATOM 1098 CG LEU A 69 8.707 -5.842 -1.071 1.00 55.45 C ATOM 1099 CD1 LEU A 69 7.444 -5.122 -0.618 1.00 62.52 C ATOM 1100 CD2 LEU A 69 8.940 -5.619 -2.568 1.00 52.23 C ATOM 0 H LEU A 69 11.185 -6.074 1.945 1.00 61.53 H new ATOM 0 HA LEU A 69 10.548 -7.295 -0.715 1.00 62.14 H new ATOM 0 HB2 LEU A 69 9.587 -4.976 0.711 1.00 30.12 H new ATOM 0 HB3 LEU A 69 10.396 -4.515 -0.773 1.00 30.12 H new ATOM 0 HG LEU A 69 8.583 -6.911 -0.898 1.00 55.45 H new ATOM 0 HD11 LEU A 69 6.594 -5.479 -1.199 1.00 62.52 H new ATOM 0 HD12 LEU A 69 7.271 -5.322 0.439 1.00 62.52 H new ATOM 0 HD13 LEU A 69 7.563 -4.049 -0.770 1.00 62.52 H new ATOM 0 HD21 LEU A 69 8.075 -5.974 -3.128 1.00 52.23 H new ATOM 0 HD22 LEU A 69 9.084 -4.556 -2.759 1.00 52.23 H new ATOM 0 HD23 LEU A 69 9.827 -6.168 -2.884 1.00 52.23 H new ATOM 1112 N LYS A 70 12.938 -6.935 -1.331 1.00 73.00 N ATOM 1113 CA LYS A 70 14.319 -6.753 -1.780 1.00 35.11 C ATOM 1114 C LYS A 70 15.239 -6.637 -0.558 1.00 23.44 C ATOM 1115 O LYS A 70 16.039 -5.714 -0.434 1.00 25.51 O ATOM 1116 CB LYS A 70 14.419 -5.605 -2.791 1.00 43.02 C ATOM 1117 CG LYS A 70 13.500 -5.858 -4.007 1.00 11.21 C ATOM 1118 CD LYS A 70 12.346 -4.854 -4.107 1.00 54.14 C ATOM 1119 CE LYS A 70 12.785 -3.530 -4.742 1.00 72.12 C ATOM 1120 NZ LYS A 70 13.149 -3.642 -6.176 1.00 63.31 N ATOM 0 H LYS A 70 12.476 -7.736 -1.762 1.00 73.00 H new ATOM 0 HA LYS A 70 14.666 -7.626 -2.333 1.00 35.11 H new ATOM 0 HB2 LYS A 70 14.142 -4.667 -2.310 1.00 43.02 H new ATOM 0 HB3 LYS A 70 15.451 -5.499 -3.126 1.00 43.02 H new ATOM 0 HG2 LYS A 70 14.094 -5.812 -4.920 1.00 11.21 H new ATOM 0 HG3 LYS A 70 13.092 -6.867 -3.943 1.00 11.21 H new ATOM 0 HD2 LYS A 70 11.539 -5.288 -4.697 1.00 54.14 H new ATOM 0 HD3 LYS A 70 11.946 -4.663 -3.111 1.00 54.14 H new ATOM 0 HE2 LYS A 70 11.979 -2.804 -4.638 1.00 72.12 H new ATOM 0 HE3 LYS A 70 13.640 -3.139 -4.190 1.00 72.12 H new ATOM 0 HZ1 LYS A 70 14.014 -3.095 -6.358 1.00 63.31 H new ATOM 0 HZ2 LYS A 70 13.314 -4.641 -6.415 1.00 63.31 H new ATOM 0 HZ3 LYS A 70 12.374 -3.269 -6.761 1.00 63.31 H new ATOM 1134 N GLU A 71 15.063 -7.594 0.357 1.00 64.53 N ATOM 1135 CA GLU A 71 15.789 -7.765 1.618 1.00 65.52 C ATOM 1136 C GLU A 71 15.651 -6.581 2.586 1.00 51.13 C ATOM 1137 O GLU A 71 16.563 -6.290 3.369 1.00 41.32 O ATOM 1138 CB GLU A 71 17.252 -8.166 1.352 1.00 12.24 C ATOM 1139 CG GLU A 71 17.336 -9.319 0.344 1.00 1.42 C ATOM 1140 CD GLU A 71 18.621 -10.119 0.489 1.00 73.14 C ATOM 1141 OE1 GLU A 71 18.768 -10.804 1.531 1.00 52.10 O ATOM 1142 OE2 GLU A 71 19.401 -10.187 -0.481 1.00 23.31 O ATOM 0 H GLU A 71 14.360 -8.321 0.227 1.00 64.53 H new ATOM 0 HA GLU A 71 15.310 -8.589 2.147 1.00 65.52 H new ATOM 0 HB2 GLU A 71 17.804 -7.306 0.972 1.00 12.24 H new ATOM 0 HB3 GLU A 71 17.727 -8.462 2.288 1.00 12.24 H new ATOM 0 HG2 GLU A 71 16.481 -9.981 0.480 1.00 1.42 H new ATOM 0 HG3 GLU A 71 17.271 -8.919 -0.668 1.00 1.42 H new ATOM 1149 N LYS A 72 14.501 -5.903 2.568 1.00 34.31 N ATOM 1150 CA LYS A 72 14.220 -4.754 3.423 1.00 13.45 C ATOM 1151 C LYS A 72 12.876 -4.924 4.103 1.00 4.25 C ATOM 1152 O LYS A 72 11.861 -5.022 3.423 1.00 71.51 O ATOM 1153 CB LYS A 72 14.319 -3.433 2.638 1.00 74.24 C ATOM 1154 CG LYS A 72 15.725 -2.824 2.735 1.00 33.32 C ATOM 1155 CD LYS A 72 15.985 -2.243 4.132 1.00 54.23 C ATOM 1156 CE LYS A 72 17.365 -1.591 4.178 1.00 53.15 C ATOM 1157 NZ LYS A 72 17.493 -0.683 5.330 1.00 21.03 N ATOM 0 H LYS A 72 13.728 -6.143 1.948 1.00 34.31 H new ATOM 0 HA LYS A 72 14.980 -4.704 4.203 1.00 13.45 H new ATOM 0 HB2 LYS A 72 14.070 -3.611 1.592 1.00 74.24 H new ATOM 0 HB3 LYS A 72 13.587 -2.724 3.024 1.00 74.24 H new ATOM 0 HG2 LYS A 72 16.471 -3.587 2.511 1.00 33.32 H new ATOM 0 HG3 LYS A 72 15.837 -2.040 1.986 1.00 33.32 H new ATOM 0 HD2 LYS A 72 15.218 -1.508 4.378 1.00 54.23 H new ATOM 0 HD3 LYS A 72 15.922 -3.033 4.881 1.00 54.23 H new ATOM 0 HE2 LYS A 72 18.132 -2.363 4.235 1.00 53.15 H new ATOM 0 HE3 LYS A 72 17.538 -1.037 3.255 1.00 53.15 H new ATOM 0 HZ1 LYS A 72 18.442 -0.257 5.332 1.00 21.03 H new ATOM 0 HZ2 LYS A 72 16.776 0.067 5.262 1.00 21.03 H new ATOM 0 HZ3 LYS A 72 17.352 -1.218 6.211 1.00 21.03 H new ATOM 1171 N LYS A 73 12.877 -4.984 5.437 1.00 72.42 N ATOM 1172 CA LYS A 73 11.684 -5.136 6.266 1.00 2.40 C ATOM 1173 C LYS A 73 10.884 -3.838 6.190 1.00 34.22 C ATOM 1174 O LYS A 73 11.238 -2.837 6.822 1.00 11.11 O ATOM 1175 CB LYS A 73 12.117 -5.410 7.716 1.00 55.22 C ATOM 1176 CG LYS A 73 11.008 -5.929 8.638 1.00 21.21 C ATOM 1177 CD LYS A 73 10.874 -7.448 8.533 1.00 65.12 C ATOM 1178 CE LYS A 73 9.803 -7.939 9.511 1.00 65.30 C ATOM 1179 NZ LYS A 73 9.532 -9.373 9.314 1.00 52.33 N ATOM 0 H LYS A 73 13.736 -4.926 5.984 1.00 72.42 H new ATOM 0 HA LYS A 73 11.070 -5.966 5.918 1.00 2.40 H new ATOM 0 HB2 LYS A 73 12.929 -6.137 7.705 1.00 55.22 H new ATOM 0 HB3 LYS A 73 12.519 -4.489 8.139 1.00 55.22 H new ATOM 0 HG2 LYS A 73 11.227 -5.650 9.669 1.00 21.21 H new ATOM 0 HG3 LYS A 73 10.061 -5.458 8.375 1.00 21.21 H new ATOM 0 HD2 LYS A 73 10.607 -7.730 7.514 1.00 65.12 H new ATOM 0 HD3 LYS A 73 11.829 -7.924 8.755 1.00 65.12 H new ATOM 0 HE2 LYS A 73 10.132 -7.764 10.535 1.00 65.30 H new ATOM 0 HE3 LYS A 73 8.885 -7.368 9.369 1.00 65.30 H new ATOM 0 HZ1 LYS A 73 8.992 -9.739 10.124 1.00 52.33 H new ATOM 0 HZ2 LYS A 73 8.981 -9.506 8.442 1.00 52.33 H new ATOM 0 HZ3 LYS A 73 10.432 -9.889 9.237 1.00 52.33 H new ATOM 1193 N ILE A 74 9.834 -3.808 5.391 1.00 13.42 N ATOM 1194 CA ILE A 74 9.000 -2.621 5.259 1.00 14.42 C ATOM 1195 C ILE A 74 7.834 -2.704 6.244 1.00 54.41 C ATOM 1196 O ILE A 74 7.564 -3.753 6.819 1.00 54.33 O ATOM 1197 CB ILE A 74 8.603 -2.356 3.799 1.00 61.41 C ATOM 1198 CG1 ILE A 74 7.552 -3.320 3.225 1.00 42.05 C ATOM 1199 CG2 ILE A 74 9.863 -2.298 2.912 1.00 22.35 C ATOM 1200 CD1 ILE A 74 7.076 -2.838 1.848 1.00 63.02 C ATOM 0 H ILE A 74 9.534 -4.597 4.818 1.00 13.42 H new ATOM 0 HA ILE A 74 9.571 -1.734 5.533 1.00 14.42 H new ATOM 0 HB ILE A 74 8.104 -1.387 3.797 1.00 61.41 H new ATOM 0 HG12 ILE A 74 7.976 -4.321 3.140 1.00 42.05 H new ATOM 0 HG13 ILE A 74 6.704 -3.390 3.906 1.00 42.05 H new ATOM 0 HG21 ILE A 74 9.572 -2.110 1.879 1.00 22.35 H new ATOM 0 HG22 ILE A 74 10.515 -1.495 3.258 1.00 22.35 H new ATOM 0 HG23 ILE A 74 10.394 -3.248 2.972 1.00 22.35 H new ATOM 0 HD11 ILE A 74 6.332 -3.532 1.457 1.00 63.02 H new ATOM 0 HD12 ILE A 74 6.633 -1.847 1.943 1.00 63.02 H new ATOM 0 HD13 ILE A 74 7.924 -2.792 1.165 1.00 63.02 H new ATOM 1212 N ASN A 75 7.145 -1.590 6.462 1.00 1.42 N ATOM 1213 CA ASN A 75 6.004 -1.482 7.384 1.00 65.32 C ATOM 1214 C ASN A 75 4.784 -0.917 6.687 1.00 44.45 C ATOM 1215 O ASN A 75 4.946 -0.197 5.707 1.00 44.41 O ATOM 1216 CB ASN A 75 6.357 -0.583 8.578 1.00 52.34 C ATOM 1217 CG ASN A 75 7.153 0.648 8.199 1.00 54.25 C ATOM 1218 OD1 ASN A 75 8.370 0.670 8.364 1.00 40.00 O ATOM 1219 ND2 ASN A 75 6.512 1.688 7.699 1.00 52.24 N ATOM 0 H ASN A 75 7.364 -0.711 5.994 1.00 1.42 H new ATOM 0 HA ASN A 75 5.777 -2.488 7.736 1.00 65.32 H new ATOM 0 HB2 ASN A 75 5.436 -0.272 9.072 1.00 52.34 H new ATOM 0 HB3 ASN A 75 6.927 -1.164 9.303 1.00 52.34 H new ATOM 0 HD21 ASN A 75 7.028 2.530 7.442 1.00 52.24 H new ATOM 0 HD22 ASN A 75 5.501 1.650 7.570 1.00 52.24 H new ATOM 1226 N VAL A 76 3.588 -1.201 7.215 1.00 21.33 N ATOM 1227 CA VAL A 76 2.300 -0.763 6.681 1.00 41.11 C ATOM 1228 C VAL A 76 1.366 -0.315 7.818 1.00 4.04 C ATOM 1229 O VAL A 76 1.463 -0.848 8.924 1.00 50.34 O ATOM 1230 CB VAL A 76 1.647 -1.940 5.915 1.00 52.35 C ATOM 1231 CG1 VAL A 76 0.301 -1.547 5.294 1.00 42.00 C ATOM 1232 CG2 VAL A 76 2.487 -2.508 4.767 1.00 20.24 C ATOM 0 H VAL A 76 3.491 -1.765 8.059 1.00 21.33 H new ATOM 0 HA VAL A 76 2.462 0.081 6.011 1.00 41.11 H new ATOM 0 HB VAL A 76 1.538 -2.698 6.690 1.00 52.35 H new ATOM 0 HG11 VAL A 76 -0.120 -2.403 4.767 1.00 42.00 H new ATOM 0 HG12 VAL A 76 -0.385 -1.232 6.081 1.00 42.00 H new ATOM 0 HG13 VAL A 76 0.450 -0.726 4.592 1.00 42.00 H new ATOM 0 HG21 VAL A 76 1.947 -3.327 4.292 1.00 20.24 H new ATOM 0 HG22 VAL A 76 2.677 -1.725 4.033 1.00 20.24 H new ATOM 0 HG23 VAL A 76 3.435 -2.877 5.158 1.00 20.24 H new ATOM 1242 N GLU A 77 0.466 0.645 7.574 1.00 63.31 N ATOM 1243 CA GLU A 77 -0.518 1.138 8.541 1.00 71.32 C ATOM 1244 C GLU A 77 -1.627 1.940 7.843 1.00 64.53 C ATOM 1245 O GLU A 77 -1.581 2.154 6.631 1.00 54.32 O ATOM 1246 CB GLU A 77 0.124 1.941 9.676 1.00 20.20 C ATOM 1247 CG GLU A 77 0.990 3.114 9.259 1.00 61.45 C ATOM 1248 CD GLU A 77 1.662 3.695 10.490 1.00 13.11 C ATOM 1249 OE1 GLU A 77 2.701 3.132 10.890 1.00 11.34 O ATOM 1250 OE2 GLU A 77 1.116 4.665 11.070 1.00 14.44 O ATOM 0 H GLU A 77 0.402 1.113 6.670 1.00 63.31 H new ATOM 0 HA GLU A 77 -0.974 0.262 9.002 1.00 71.32 H new ATOM 0 HB2 GLU A 77 -0.670 2.314 10.323 1.00 20.20 H new ATOM 0 HB3 GLU A 77 0.731 1.262 10.275 1.00 20.20 H new ATOM 0 HG2 GLU A 77 1.741 2.790 8.538 1.00 61.45 H new ATOM 0 HG3 GLU A 77 0.383 3.874 8.767 1.00 61.45 H new ATOM 1257 N LEU A 78 -2.657 2.334 8.597 1.00 54.33 N ATOM 1258 CA LEU A 78 -3.804 3.110 8.123 1.00 23.23 C ATOM 1259 C LEU A 78 -3.520 4.597 8.283 1.00 71.20 C ATOM 1260 O LEU A 78 -2.929 5.016 9.279 1.00 55.33 O ATOM 1261 CB LEU A 78 -5.051 2.753 8.959 1.00 54.50 C ATOM 1262 CG LEU A 78 -6.101 1.887 8.254 1.00 42.31 C ATOM 1263 CD1 LEU A 78 -6.856 2.703 7.205 1.00 34.10 C ATOM 1264 CD2 LEU A 78 -5.516 0.618 7.637 1.00 73.02 C ATOM 0 H LEU A 78 -2.716 2.113 9.591 1.00 54.33 H new ATOM 0 HA LEU A 78 -3.979 2.877 7.073 1.00 23.23 H new ATOM 0 HB2 LEU A 78 -4.725 2.234 9.860 1.00 54.50 H new ATOM 0 HB3 LEU A 78 -5.527 3.679 9.280 1.00 54.50 H new ATOM 0 HG LEU A 78 -6.801 1.560 9.023 1.00 42.31 H new ATOM 0 HD11 LEU A 78 -7.597 2.070 6.716 1.00 34.10 H new ATOM 0 HD12 LEU A 78 -7.357 3.542 7.688 1.00 34.10 H new ATOM 0 HD13 LEU A 78 -6.153 3.080 6.462 1.00 34.10 H new ATOM 0 HD21 LEU A 78 -6.310 0.049 7.153 1.00 73.02 H new ATOM 0 HD22 LEU A 78 -4.761 0.887 6.898 1.00 73.02 H new ATOM 0 HD23 LEU A 78 -5.059 0.011 8.418 1.00 73.02 H new ATOM 1276 N THR A 79 -4.060 5.412 7.381 1.00 60.20 N ATOM 1277 CA THR A 79 -3.870 6.858 7.398 1.00 1.32 C ATOM 1278 C THR A 79 -5.110 7.568 6.854 1.00 43.43 C ATOM 1279 O THR A 79 -5.152 7.934 5.685 1.00 43.32 O ATOM 1280 CB THR A 79 -2.559 7.199 6.655 1.00 73.32 C ATOM 1281 OG1 THR A 79 -2.406 8.585 6.403 1.00 74.21 O ATOM 1282 CG2 THR A 79 -2.259 6.390 5.399 1.00 62.11 C ATOM 0 H THR A 79 -4.646 5.085 6.613 1.00 60.20 H new ATOM 0 HA THR A 79 -3.759 7.226 8.418 1.00 1.32 H new ATOM 0 HB THR A 79 -1.805 6.885 7.377 1.00 73.32 H new ATOM 0 HG1 THR A 79 -1.560 8.741 5.933 1.00 74.21 H new ATOM 0 HG21 THR A 79 -1.314 6.722 4.969 1.00 62.11 H new ATOM 0 HG22 THR A 79 -2.189 5.333 5.655 1.00 62.11 H new ATOM 0 HG23 THR A 79 -3.059 6.535 4.673 1.00 62.11 H new ATOM 1290 N VAL A 80 -6.125 7.773 7.687 1.00 61.14 N ATOM 1291 CA VAL A 80 -7.377 8.440 7.323 1.00 10.11 C ATOM 1292 C VAL A 80 -7.995 8.971 8.628 1.00 13.24 C ATOM 1293 O VAL A 80 -7.557 8.571 9.714 1.00 64.41 O ATOM 1294 CB VAL A 80 -8.250 7.473 6.471 1.00 4.03 C ATOM 1295 CG1 VAL A 80 -8.158 6.004 6.903 1.00 21.30 C ATOM 1296 CG2 VAL A 80 -9.733 7.848 6.373 1.00 43.40 C ATOM 0 H VAL A 80 -6.102 7.473 8.662 1.00 61.14 H new ATOM 0 HA VAL A 80 -7.250 9.306 6.673 1.00 10.11 H new ATOM 0 HB VAL A 80 -7.803 7.591 5.484 1.00 4.03 H new ATOM 0 HG11 VAL A 80 -8.795 5.395 6.261 1.00 21.30 H new ATOM 0 HG12 VAL A 80 -7.126 5.664 6.818 1.00 21.30 H new ATOM 0 HG13 VAL A 80 -8.488 5.908 7.937 1.00 21.30 H new ATOM 0 HG21 VAL A 80 -10.254 7.113 5.759 1.00 43.40 H new ATOM 0 HG22 VAL A 80 -10.171 7.863 7.371 1.00 43.40 H new ATOM 0 HG23 VAL A 80 -9.830 8.834 5.919 1.00 43.40 H new ATOM 1306 N GLY A 81 -8.973 9.883 8.569 1.00 43.33 N ATOM 1307 CA GLY A 81 -9.592 10.437 9.767 1.00 62.55 C ATOM 1308 C GLY A 81 -11.022 10.893 9.522 1.00 40.23 C ATOM 1309 O GLY A 81 -11.229 11.974 8.968 1.00 13.21 O ATOM 0 H GLY A 81 -9.351 10.251 7.696 1.00 43.33 H new ATOM 0 HA2 GLY A 81 -9.583 9.687 10.558 1.00 62.55 H new ATOM 0 HA3 GLY A 81 -9.000 11.281 10.122 1.00 62.55 H new ATOM 1313 N GLY A 82 -12.001 10.086 9.934 1.00 41.31 N ATOM 1314 CA GLY A 82 -13.421 10.379 9.802 1.00 42.04 C ATOM 1315 C GLY A 82 -13.952 9.802 8.518 1.00 70.13 C ATOM 1316 O GLY A 82 -13.965 10.513 7.496 1.00 51.22 O ATOM 0 H GLY A 82 -11.818 9.187 10.380 1.00 41.31 H new ATOM 0 HA2 GLY A 82 -13.966 9.963 10.649 1.00 42.04 H new ATOM 0 HA3 GLY A 82 -13.581 11.457 9.818 1.00 42.04 H new TER 1320 GLY A 82