USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1051 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 33 ASN : amide:sc= 0.198 K(o=0.064,f=-0.97) USER MOD Set 1.2: A 59 ASN :FLIP amide:sc= -0.133 F(o=-1.9!,f=0.064) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.0173 K(o=0.66,f=0.13) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 169:sc= 0.675 (180deg=0.562) USER MOD Single : A 2 LYS NZ :NH3+ -127:sc= -0.523 (180deg=-3.33!) USER MOD Single : A 9 THR OG1 : rot 50:sc= -0.0773 USER MOD Single : A 10 ASN : amide:sc= -0.0939 K(o=-0.094,f=-2!) USER MOD Single : A 11 ASN : amide:sc= -0.0016 K(o=-0.0016,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= 1.02 (180deg=-0.189!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0295 K(o=-0.03,f=-0.68) USER MOD Single : A 25 GLN : amide:sc= 0.0134 X(o=0.013,f=-0.14) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.18 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.947 F(o=-3.1!,f=-0.95) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.235 (180deg=0.223) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -1.19 (180deg=-3.02!) USER MOD Single : A 42 MET CE :methyl -107:sc= -1.03 (180deg=-4.19!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0.47 (180deg=0.468) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0022 K(o=-0.0022,f=-0.88) USER MOD Single : A 53 LYS NZ :NH3+ -114:sc= 0.814 (180deg=-0.197) USER MOD Single : A 58 SER OG : rot -109:sc= 0.713 USER MOD Single : A 62 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -129:sc= -2.68! (180deg=-2.97!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.0187 USER MOD Single : A 77 LYS NZ :NH3+ 149:sc= -0.731 (180deg=-2.11!) USER MOD Single : A 83 GLN : amide:sc= -1.28 K(o=-1.3,f=-8.4!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 88 ASN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0.637 (180deg=0.53) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.96! C(o=-2!,f=-5.6!) USER MOD Single : A 102 TYR OH : rot 130:sc= -0.0649 USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= -0.0443 (180deg=-0.676) USER MOD Single : A 108 THR OG1 : rot -95:sc= 0.704 USER MOD Single : A 115 LYS NZ :NH3+ -127:sc= 1.21 (180deg=0.0554) USER MOD Single : A 121 MET CE :methyl 160:sc= -0.327 (180deg=-0.522) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.189 8.112 5.032 1.00 64.23 N ATOM 21 CA LYS A 2 -11.570 6.836 4.650 1.00 50.23 C ATOM 22 C LYS A 2 -10.047 6.963 4.589 1.00 21.45 C ATOM 23 O LYS A 2 -9.492 8.065 4.443 1.00 41.21 O ATOM 24 CB LYS A 2 -12.080 6.364 3.272 1.00 61.05 C ATOM 25 CG LYS A 2 -13.596 6.112 3.193 1.00 32.42 C ATOM 26 CD LYS A 2 -14.032 5.537 1.828 1.00 0.53 C ATOM 27 CE LYS A 2 -13.316 4.216 1.483 1.00 21.14 C ATOM 28 NZ LYS A 2 -13.963 3.526 0.349 1.00 1.15 N ATOM 0 HA LYS A 2 -11.846 6.106 5.411 1.00 50.23 H new ATOM 0 HB2 LYS A 2 -11.812 7.112 2.526 1.00 61.05 H new ATOM 0 HB3 LYS A 2 -11.559 5.445 3.004 1.00 61.05 H new ATOM 0 HG2 LYS A 2 -13.887 5.421 3.984 1.00 32.42 H new ATOM 0 HG3 LYS A 2 -14.126 7.047 3.375 1.00 32.42 H new ATOM 0 HD2 LYS A 2 -15.109 5.370 1.836 1.00 0.53 H new ATOM 0 HD3 LYS A 2 -13.829 6.270 1.048 1.00 0.53 H new ATOM 0 HE2 LYS A 2 -12.274 4.420 1.238 1.00 21.14 H new ATOM 0 HE3 LYS A 2 -13.317 3.563 2.355 1.00 21.14 H new ATOM 0 HZ1 LYS A 2 -14.184 2.546 0.619 1.00 1.15 H new ATOM 0 HZ2 LYS A 2 -14.841 4.022 0.096 1.00 1.15 H new ATOM 0 HZ3 LYS A 2 -13.320 3.523 -0.468 1.00 1.15 H new ATOM 42 N GLU A 3 -9.386 5.808 4.694 1.00 12.32 N ATOM 43 CA GLU A 3 -7.949 5.674 4.457 1.00 2.34 C ATOM 44 C GLU A 3 -7.735 4.760 3.241 1.00 12.14 C ATOM 45 O GLU A 3 -8.633 3.986 2.858 1.00 34.14 O ATOM 46 CB GLU A 3 -7.198 5.085 5.687 1.00 44.13 C ATOM 47 CG GLU A 3 -7.411 5.789 7.048 1.00 22.12 C ATOM 48 CD GLU A 3 -8.636 5.279 7.816 1.00 3.34 C ATOM 49 OE1 GLU A 3 -8.508 4.288 8.572 1.00 52.02 O ATOM 50 OE2 GLU A 3 -9.738 5.844 7.658 1.00 12.23 O ATOM 0 H GLU A 3 -9.839 4.931 4.949 1.00 12.32 H new ATOM 0 HA GLU A 3 -7.542 6.669 4.276 1.00 2.34 H new ATOM 0 HB2 GLU A 3 -7.494 4.042 5.796 1.00 44.13 H new ATOM 0 HB3 GLU A 3 -6.131 5.092 5.466 1.00 44.13 H new ATOM 0 HG2 GLU A 3 -6.522 5.649 7.663 1.00 22.12 H new ATOM 0 HG3 GLU A 3 -7.517 6.861 6.881 1.00 22.12 H new ATOM 57 N LEU A 4 -6.537 4.849 2.660 1.00 12.12 N ATOM 58 CA LEU A 4 -6.106 4.014 1.534 1.00 31.12 C ATOM 59 C LEU A 4 -4.641 3.634 1.788 1.00 60.10 C ATOM 60 O LEU A 4 -3.759 4.505 1.791 1.00 25.32 O ATOM 61 CB LEU A 4 -6.291 4.774 0.167 1.00 45.13 C ATOM 62 CG LEU A 4 -7.031 3.998 -0.970 1.00 22.22 C ATOM 63 CD1 LEU A 4 -6.291 2.702 -1.355 1.00 11.54 C ATOM 64 CD2 LEU A 4 -8.492 3.724 -0.568 1.00 52.11 C ATOM 0 H LEU A 4 -5.826 5.514 2.963 1.00 12.12 H new ATOM 0 HA LEU A 4 -6.715 3.113 1.461 1.00 31.12 H new ATOM 0 HB2 LEU A 4 -6.838 5.697 0.361 1.00 45.13 H new ATOM 0 HB3 LEU A 4 -5.305 5.059 -0.201 1.00 45.13 H new ATOM 0 HG LEU A 4 -7.037 4.627 -1.860 1.00 22.22 H new ATOM 0 HD11 LEU A 4 -6.838 2.193 -2.148 1.00 11.54 H new ATOM 0 HD12 LEU A 4 -5.288 2.946 -1.705 1.00 11.54 H new ATOM 0 HD13 LEU A 4 -6.223 2.050 -0.484 1.00 11.54 H new ATOM 0 HD21 LEU A 4 -8.995 3.183 -1.370 1.00 52.11 H new ATOM 0 HD22 LEU A 4 -8.513 3.125 0.342 1.00 52.11 H new ATOM 0 HD23 LEU A 4 -9.004 4.670 -0.392 1.00 52.11 H new ATOM 76 N ILE A 5 -4.401 2.338 2.026 1.00 51.32 N ATOM 77 CA ILE A 5 -3.074 1.812 2.373 1.00 31.43 C ATOM 78 C ILE A 5 -2.499 1.026 1.188 1.00 62.12 C ATOM 79 O ILE A 5 -3.172 0.178 0.592 1.00 70.15 O ATOM 80 CB ILE A 5 -3.133 0.920 3.669 1.00 43.43 C ATOM 81 CG1 ILE A 5 -1.737 0.307 4.014 1.00 51.41 C ATOM 82 CG2 ILE A 5 -4.229 -0.162 3.566 1.00 61.42 C ATOM 83 CD1 ILE A 5 -1.695 -0.516 5.294 1.00 44.44 C ATOM 0 H ILE A 5 -5.125 1.621 1.983 1.00 51.32 H new ATOM 0 HA ILE A 5 -2.414 2.652 2.589 1.00 31.43 H new ATOM 0 HB ILE A 5 -3.406 1.573 4.498 1.00 43.43 H new ATOM 0 HG12 ILE A 5 -1.418 -0.323 3.184 1.00 51.41 H new ATOM 0 HG13 ILE A 5 -1.012 1.116 4.096 1.00 51.41 H new ATOM 0 HG21 ILE A 5 -4.239 -0.758 4.479 1.00 61.42 H new ATOM 0 HG22 ILE A 5 -5.200 0.315 3.433 1.00 61.42 H new ATOM 0 HG23 ILE A 5 -4.023 -0.809 2.713 1.00 61.42 H new ATOM 0 HD11 ILE A 5 -0.686 -0.898 5.448 1.00 44.44 H new ATOM 0 HD12 ILE A 5 -1.978 0.111 6.139 1.00 44.44 H new ATOM 0 HD13 ILE A 5 -2.391 -1.351 5.213 1.00 44.44 H new ATOM 95 N LEU A 6 -1.256 1.357 0.841 1.00 30.33 N ATOM 96 CA LEU A 6 -0.489 0.683 -0.201 1.00 62.33 C ATOM 97 C LEU A 6 0.577 -0.181 0.477 1.00 14.34 C ATOM 98 O LEU A 6 1.300 0.296 1.349 1.00 53.24 O ATOM 99 CB LEU A 6 0.216 1.695 -1.155 1.00 61.15 C ATOM 100 CG LEU A 6 -0.668 2.690 -1.980 1.00 72.31 C ATOM 101 CD1 LEU A 6 -1.346 3.759 -1.098 1.00 5.30 C ATOM 102 CD2 LEU A 6 0.172 3.361 -3.087 1.00 71.13 C ATOM 0 H LEU A 6 -0.745 2.118 1.287 1.00 30.33 H new ATOM 0 HA LEU A 6 -1.173 0.083 -0.800 1.00 62.33 H new ATOM 0 HB2 LEU A 6 0.909 2.286 -0.556 1.00 61.15 H new ATOM 0 HB3 LEU A 6 0.815 1.121 -1.862 1.00 61.15 H new ATOM 0 HG LEU A 6 -1.466 2.103 -2.434 1.00 72.31 H new ATOM 0 HD11 LEU A 6 -1.945 4.420 -1.724 1.00 5.30 H new ATOM 0 HD12 LEU A 6 -1.989 3.272 -0.365 1.00 5.30 H new ATOM 0 HD13 LEU A 6 -0.583 4.341 -0.581 1.00 5.30 H new ATOM 0 HD21 LEU A 6 -0.455 4.050 -3.653 1.00 71.13 H new ATOM 0 HD22 LEU A 6 0.998 3.910 -2.635 1.00 71.13 H new ATOM 0 HD23 LEU A 6 0.568 2.597 -3.757 1.00 71.13 H new ATOM 114 N ILE A 7 0.638 -1.452 0.106 1.00 64.23 N ATOM 115 CA ILE A 7 1.767 -2.336 0.420 1.00 51.32 C ATOM 116 C ILE A 7 2.580 -2.488 -0.865 1.00 12.42 C ATOM 117 O ILE A 7 2.015 -2.512 -1.956 1.00 22.35 O ATOM 118 CB ILE A 7 1.302 -3.762 0.968 1.00 70.11 C ATOM 119 CG1 ILE A 7 0.947 -3.712 2.494 1.00 31.44 C ATOM 120 CG2 ILE A 7 2.355 -4.878 0.715 1.00 55.43 C ATOM 121 CD1 ILE A 7 -0.213 -2.825 2.861 1.00 43.45 C ATOM 0 H ILE A 7 -0.101 -1.910 -0.428 1.00 64.23 H new ATOM 0 HA ILE A 7 2.362 -1.897 1.221 1.00 51.32 H new ATOM 0 HB ILE A 7 0.405 -4.013 0.402 1.00 70.11 H new ATOM 0 HG12 ILE A 7 0.728 -4.725 2.832 1.00 31.44 H new ATOM 0 HG13 ILE A 7 1.827 -3.376 3.043 1.00 31.44 H new ATOM 0 HG21 ILE A 7 1.984 -5.824 1.109 1.00 55.43 H new ATOM 0 HG22 ILE A 7 2.532 -4.975 -0.356 1.00 55.43 H new ATOM 0 HG23 ILE A 7 3.288 -4.618 1.215 1.00 55.43 H new ATOM 0 HD11 ILE A 7 -0.374 -2.863 3.938 1.00 43.45 H new ATOM 0 HD12 ILE A 7 0.004 -1.799 2.563 1.00 43.45 H new ATOM 0 HD13 ILE A 7 -1.111 -3.169 2.348 1.00 43.45 H new ATOM 133 N ASN A 8 3.895 -2.543 -0.723 1.00 3.41 N ATOM 134 CA ASN A 8 4.794 -3.024 -1.773 1.00 75.03 C ATOM 135 C ASN A 8 5.788 -3.972 -1.144 1.00 31.42 C ATOM 136 O ASN A 8 6.458 -3.608 -0.179 1.00 2.24 O ATOM 137 CB ASN A 8 5.546 -1.875 -2.465 1.00 34.41 C ATOM 138 CG ASN A 8 6.563 -2.347 -3.522 1.00 0.33 C ATOM 139 OD1 ASN A 8 7.742 -2.556 -3.227 1.00 71.10 O ATOM 140 ND2 ASN A 8 6.109 -2.534 -4.751 1.00 11.20 N ATOM 0 H ASN A 8 4.377 -2.254 0.128 1.00 3.41 H new ATOM 0 HA ASN A 8 4.199 -3.525 -2.537 1.00 75.03 H new ATOM 0 HB2 ASN A 8 4.822 -1.213 -2.941 1.00 34.41 H new ATOM 0 HB3 ASN A 8 6.067 -1.287 -1.710 1.00 34.41 H new ATOM 0 HD21 ASN A 8 6.740 -2.859 -5.484 1.00 11.20 H new ATOM 0 HD22 ASN A 8 5.128 -2.353 -4.966 1.00 11.20 H new ATOM 147 N THR A 9 5.840 -5.190 -1.661 1.00 2.40 N ATOM 148 CA THR A 9 6.899 -6.127 -1.359 1.00 40.24 C ATOM 149 C THR A 9 7.171 -6.963 -2.608 1.00 63.13 C ATOM 150 O THR A 9 6.240 -7.474 -3.241 1.00 2.14 O ATOM 151 CB THR A 9 6.587 -7.004 -0.093 1.00 50.41 C ATOM 152 OG1 THR A 9 7.662 -7.921 0.145 1.00 52.31 O ATOM 153 CG2 THR A 9 5.256 -7.762 -0.191 1.00 14.35 C ATOM 0 H THR A 9 5.140 -5.554 -2.307 1.00 2.40 H new ATOM 0 HA THR A 9 7.803 -5.578 -1.094 1.00 40.24 H new ATOM 0 HB THR A 9 6.490 -6.316 0.747 1.00 50.41 H new ATOM 0 HG1 THR A 9 8.514 -7.436 0.135 1.00 52.31 H new ATOM 0 HG21 THR A 9 5.103 -8.347 0.716 1.00 14.35 H new ATOM 0 HG22 THR A 9 4.439 -7.049 -0.305 1.00 14.35 H new ATOM 0 HG23 THR A 9 5.279 -8.428 -1.053 1.00 14.35 H new ATOM 161 N ASN A 10 8.453 -7.035 -2.995 1.00 5.45 N ATOM 162 CA ASN A 10 8.914 -7.886 -4.111 1.00 31.42 C ATOM 163 C ASN A 10 9.286 -9.294 -3.588 1.00 54.01 C ATOM 164 O ASN A 10 9.881 -10.107 -4.312 1.00 21.31 O ATOM 165 CB ASN A 10 10.102 -7.210 -4.847 1.00 51.31 C ATOM 166 CG ASN A 10 9.744 -5.869 -5.522 1.00 35.41 C ATOM 167 OD1 ASN A 10 8.877 -5.116 -5.063 1.00 2.32 O ATOM 168 ND2 ASN A 10 10.428 -5.552 -6.613 1.00 62.44 N ATOM 0 H ASN A 10 9.202 -6.507 -2.546 1.00 5.45 H new ATOM 0 HA ASN A 10 8.106 -8.004 -4.833 1.00 31.42 H new ATOM 0 HB2 ASN A 10 10.909 -7.041 -4.134 1.00 51.31 H new ATOM 0 HB3 ASN A 10 10.484 -7.895 -5.604 1.00 51.31 H new ATOM 0 HD21 ASN A 10 10.244 -4.671 -7.092 1.00 62.44 H new ATOM 0 HD22 ASN A 10 11.138 -6.189 -6.973 1.00 62.44 H new ATOM 175 N ASN A 11 8.908 -9.573 -2.318 1.00 73.42 N ATOM 176 CA ASN A 11 9.018 -10.899 -1.709 1.00 22.14 C ATOM 177 C ASN A 11 7.677 -11.630 -1.922 1.00 43.50 C ATOM 178 O ASN A 11 6.679 -11.316 -1.255 1.00 44.32 O ATOM 179 CB ASN A 11 9.383 -10.776 -0.204 1.00 54.34 C ATOM 180 CG ASN A 11 9.699 -12.115 0.468 1.00 72.32 C ATOM 181 OD1 ASN A 11 10.142 -13.068 -0.178 1.00 21.23 O ATOM 182 ND2 ASN A 11 9.504 -12.187 1.774 1.00 14.23 N ATOM 0 H ASN A 11 8.516 -8.871 -1.691 1.00 73.42 H new ATOM 0 HA ASN A 11 9.817 -11.475 -2.176 1.00 22.14 H new ATOM 0 HB2 ASN A 11 10.245 -10.117 -0.102 1.00 54.34 H new ATOM 0 HB3 ASN A 11 8.555 -10.302 0.323 1.00 54.34 H new ATOM 0 HD21 ASN A 11 9.721 -13.048 2.275 1.00 14.23 H new ATOM 0 HD22 ASN A 11 9.136 -11.381 2.280 1.00 14.23 H new ATOM 189 N ASP A 12 7.681 -12.587 -2.876 1.00 71.21 N ATOM 190 CA ASP A 12 6.460 -13.241 -3.409 1.00 33.13 C ATOM 191 C ASP A 12 5.645 -13.918 -2.302 1.00 34.00 C ATOM 192 O ASP A 12 4.422 -13.747 -2.230 1.00 74.24 O ATOM 193 CB ASP A 12 6.822 -14.285 -4.504 1.00 53.45 C ATOM 194 CG ASP A 12 7.644 -13.689 -5.657 1.00 4.25 C ATOM 195 OD1 ASP A 12 8.869 -13.516 -5.494 1.00 61.53 O ATOM 196 OD2 ASP A 12 7.074 -13.373 -6.726 1.00 11.30 O ATOM 0 H ASP A 12 8.540 -12.932 -3.304 1.00 71.21 H new ATOM 0 HA ASP A 12 5.848 -12.455 -3.851 1.00 33.13 H new ATOM 0 HB2 ASP A 12 7.384 -15.100 -4.049 1.00 53.45 H new ATOM 0 HB3 ASP A 12 5.904 -14.715 -4.905 1.00 53.45 H new ATOM 201 N GLU A 13 6.344 -14.663 -1.433 1.00 23.22 N ATOM 202 CA GLU A 13 5.720 -15.417 -0.333 1.00 34.21 C ATOM 203 C GLU A 13 4.984 -14.481 0.643 1.00 45.23 C ATOM 204 O GLU A 13 3.880 -14.799 1.089 1.00 1.21 O ATOM 205 CB GLU A 13 6.783 -16.269 0.409 1.00 54.23 C ATOM 206 CG GLU A 13 7.973 -15.472 0.980 1.00 20.01 C ATOM 207 CD GLU A 13 8.943 -16.338 1.799 1.00 31.31 C ATOM 208 OE1 GLU A 13 8.617 -16.667 2.960 1.00 2.10 O ATOM 209 OE2 GLU A 13 10.030 -16.689 1.298 1.00 13.02 O ATOM 0 H GLU A 13 7.359 -14.760 -1.472 1.00 23.22 H new ATOM 0 HA GLU A 13 4.977 -16.089 -0.763 1.00 34.21 H new ATOM 0 HB2 GLU A 13 6.295 -16.800 1.226 1.00 54.23 H new ATOM 0 HB3 GLU A 13 7.166 -17.023 -0.278 1.00 54.23 H new ATOM 0 HG2 GLU A 13 8.517 -15.005 0.159 1.00 20.01 H new ATOM 0 HG3 GLU A 13 7.594 -14.667 1.610 1.00 20.01 H new ATOM 216 N LEU A 14 5.585 -13.306 0.919 1.00 0.03 N ATOM 217 CA LEU A 14 5.025 -12.319 1.853 1.00 23.52 C ATOM 218 C LEU A 14 3.755 -11.677 1.268 1.00 2.12 C ATOM 219 O LEU A 14 2.793 -11.478 2.005 1.00 61.34 O ATOM 220 CB LEU A 14 6.091 -11.255 2.219 1.00 62.21 C ATOM 221 CG LEU A 14 5.613 -10.035 3.084 1.00 14.31 C ATOM 222 CD1 LEU A 14 4.950 -10.464 4.409 1.00 11.22 C ATOM 223 CD2 LEU A 14 6.771 -9.067 3.350 1.00 1.00 C ATOM 0 H LEU A 14 6.470 -13.019 0.500 1.00 0.03 H new ATOM 0 HA LEU A 14 4.738 -12.829 2.773 1.00 23.52 H new ATOM 0 HB2 LEU A 14 6.898 -11.755 2.755 1.00 62.21 H new ATOM 0 HB3 LEU A 14 6.515 -10.868 1.293 1.00 62.21 H new ATOM 0 HG LEU A 14 4.849 -9.522 2.500 1.00 14.31 H new ATOM 0 HD11 LEU A 14 4.640 -9.579 4.964 1.00 11.22 H new ATOM 0 HD12 LEU A 14 4.078 -11.082 4.196 1.00 11.22 H new ATOM 0 HD13 LEU A 14 5.663 -11.035 5.004 1.00 11.22 H new ATOM 0 HD21 LEU A 14 6.415 -8.230 3.951 1.00 1.00 H new ATOM 0 HD22 LEU A 14 7.564 -9.587 3.886 1.00 1.00 H new ATOM 0 HD23 LEU A 14 7.158 -8.694 2.402 1.00 1.00 H new ATOM 235 N ILE A 15 3.749 -11.389 -0.063 1.00 64.43 N ATOM 236 CA ILE A 15 2.552 -10.838 -0.771 1.00 63.21 C ATOM 237 C ILE A 15 1.308 -11.697 -0.475 1.00 71.12 C ATOM 238 O ILE A 15 0.250 -11.183 -0.088 1.00 23.33 O ATOM 239 CB ILE A 15 2.742 -10.788 -2.344 1.00 34.32 C ATOM 240 CG1 ILE A 15 3.999 -9.956 -2.743 1.00 12.45 C ATOM 241 CG2 ILE A 15 1.470 -10.243 -3.042 1.00 10.34 C ATOM 242 CD1 ILE A 15 4.308 -9.920 -4.237 1.00 21.33 C ATOM 0 H ILE A 15 4.557 -11.528 -0.669 1.00 64.43 H new ATOM 0 HA ILE A 15 2.424 -9.821 -0.399 1.00 63.21 H new ATOM 0 HB ILE A 15 2.903 -11.810 -2.687 1.00 34.32 H new ATOM 0 HG12 ILE A 15 3.864 -8.933 -2.392 1.00 12.45 H new ATOM 0 HG13 ILE A 15 4.865 -10.362 -2.219 1.00 12.45 H new ATOM 0 HG21 ILE A 15 1.628 -10.220 -4.120 1.00 10.34 H new ATOM 0 HG22 ILE A 15 0.624 -10.891 -2.814 1.00 10.34 H new ATOM 0 HG23 ILE A 15 1.262 -9.235 -2.684 1.00 10.34 H new ATOM 0 HD11 ILE A 15 5.199 -9.317 -4.410 1.00 21.33 H new ATOM 0 HD12 ILE A 15 4.481 -10.934 -4.597 1.00 21.33 H new ATOM 0 HD13 ILE A 15 3.465 -9.483 -4.772 1.00 21.33 H new ATOM 254 N LYS A 16 1.495 -13.013 -0.639 1.00 32.33 N ATOM 255 CA LYS A 16 0.448 -14.033 -0.469 1.00 21.45 C ATOM 256 C LYS A 16 -0.104 -14.027 0.964 1.00 52.03 C ATOM 257 O LYS A 16 -1.316 -14.154 1.171 1.00 4.34 O ATOM 258 CB LYS A 16 1.040 -15.421 -0.812 1.00 52.41 C ATOM 259 CG LYS A 16 1.633 -15.511 -2.236 1.00 75.22 C ATOM 260 CD LYS A 16 2.331 -16.863 -2.513 1.00 52.53 C ATOM 261 CE LYS A 16 2.950 -16.926 -3.921 1.00 2.20 C ATOM 262 NZ LYS A 16 3.606 -18.228 -4.189 1.00 31.33 N ATOM 0 H LYS A 16 2.398 -13.409 -0.899 1.00 32.33 H new ATOM 0 HA LYS A 16 -0.380 -13.808 -1.141 1.00 21.45 H new ATOM 0 HB2 LYS A 16 1.818 -15.663 -0.088 1.00 52.41 H new ATOM 0 HB3 LYS A 16 0.260 -16.175 -0.705 1.00 52.41 H new ATOM 0 HG2 LYS A 16 0.837 -15.363 -2.966 1.00 75.22 H new ATOM 0 HG3 LYS A 16 2.350 -14.702 -2.377 1.00 75.22 H new ATOM 0 HD2 LYS A 16 3.111 -17.026 -1.769 1.00 52.53 H new ATOM 0 HD3 LYS A 16 1.609 -17.672 -2.400 1.00 52.53 H new ATOM 0 HE2 LYS A 16 2.173 -16.753 -4.665 1.00 2.20 H new ATOM 0 HE3 LYS A 16 3.680 -16.124 -4.031 1.00 2.20 H new ATOM 0 HZ1 LYS A 16 4.008 -18.223 -5.148 1.00 31.33 H new ATOM 0 HZ2 LYS A 16 4.366 -18.383 -3.496 1.00 31.33 H new ATOM 0 HZ3 LYS A 16 2.905 -18.992 -4.111 1.00 31.33 H new ATOM 276 N LYS A 17 0.808 -13.853 1.934 1.00 64.13 N ATOM 277 CA LYS A 17 0.473 -13.835 3.363 1.00 52.45 C ATOM 278 C LYS A 17 -0.343 -12.590 3.721 1.00 44.24 C ATOM 279 O LYS A 17 -1.341 -12.696 4.442 1.00 22.11 O ATOM 280 CB LYS A 17 1.762 -13.902 4.214 1.00 63.41 C ATOM 281 CG LYS A 17 2.599 -15.172 3.967 1.00 60.41 C ATOM 282 CD LYS A 17 3.917 -15.197 4.761 1.00 65.12 C ATOM 283 CE LYS A 17 3.702 -15.268 6.282 1.00 64.23 C ATOM 284 NZ LYS A 17 4.991 -15.325 7.002 1.00 5.43 N ATOM 0 H LYS A 17 1.802 -13.721 1.746 1.00 64.13 H new ATOM 0 HA LYS A 17 -0.138 -14.711 3.582 1.00 52.45 H new ATOM 0 HB2 LYS A 17 2.374 -13.026 4.000 1.00 63.41 H new ATOM 0 HB3 LYS A 17 1.494 -13.853 5.269 1.00 63.41 H new ATOM 0 HG2 LYS A 17 2.006 -16.047 4.233 1.00 60.41 H new ATOM 0 HG3 LYS A 17 2.822 -15.250 2.903 1.00 60.41 H new ATOM 0 HD2 LYS A 17 4.510 -16.055 4.443 1.00 65.12 H new ATOM 0 HD3 LYS A 17 4.495 -14.304 4.523 1.00 65.12 H new ATOM 0 HE2 LYS A 17 3.136 -14.397 6.613 1.00 64.23 H new ATOM 0 HE3 LYS A 17 3.106 -16.147 6.527 1.00 64.23 H new ATOM 0 HZ1 LYS A 17 4.927 -16.019 7.774 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 5.744 -15.609 6.343 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 5.210 -14.388 7.396 1.00 5.43 H new ATOM 298 N ILE A 18 0.082 -11.420 3.184 1.00 54.30 N ATOM 299 CA ILE A 18 -0.573 -10.122 3.442 1.00 70.13 C ATOM 300 C ILE A 18 -2.023 -10.160 2.949 1.00 52.14 C ATOM 301 O ILE A 18 -2.918 -9.730 3.672 1.00 53.41 O ATOM 302 CB ILE A 18 0.213 -8.914 2.790 1.00 1.12 C ATOM 303 CG1 ILE A 18 1.664 -8.851 3.364 1.00 73.03 C ATOM 304 CG2 ILE A 18 -0.523 -7.558 2.994 1.00 63.10 C ATOM 305 CD1 ILE A 18 2.556 -7.757 2.796 1.00 72.12 C ATOM 0 H ILE A 18 0.887 -11.354 2.562 1.00 54.30 H new ATOM 0 HA ILE A 18 -0.566 -9.956 4.519 1.00 70.13 H new ATOM 0 HB ILE A 18 0.261 -9.089 1.715 1.00 1.12 H new ATOM 0 HG12 ILE A 18 1.601 -8.718 4.444 1.00 73.03 H new ATOM 0 HG13 ILE A 18 2.145 -9.813 3.189 1.00 73.03 H new ATOM 0 HG21 ILE A 18 0.053 -6.758 2.530 1.00 63.10 H new ATOM 0 HG22 ILE A 18 -1.510 -7.607 2.535 1.00 63.10 H new ATOM 0 HG23 ILE A 18 -0.628 -7.358 4.060 1.00 63.10 H new ATOM 0 HD11 ILE A 18 3.538 -7.808 3.266 1.00 72.12 H new ATOM 0 HD12 ILE A 18 2.661 -7.895 1.720 1.00 72.12 H new ATOM 0 HD13 ILE A 18 2.109 -6.783 2.995 1.00 72.12 H new ATOM 317 N LYS A 19 -2.242 -10.738 1.742 1.00 44.42 N ATOM 318 CA LYS A 19 -3.598 -10.953 1.182 1.00 13.21 C ATOM 319 C LYS A 19 -4.506 -11.629 2.220 1.00 44.32 C ATOM 320 O LYS A 19 -5.545 -11.090 2.580 1.00 51.24 O ATOM 321 CB LYS A 19 -3.558 -11.833 -0.101 1.00 43.43 C ATOM 322 CG LYS A 19 -2.814 -11.218 -1.303 1.00 72.14 C ATOM 323 CD LYS A 19 -2.897 -12.113 -2.563 1.00 54.23 C ATOM 324 CE LYS A 19 -2.147 -11.536 -3.775 1.00 74.55 C ATOM 325 NZ LYS A 19 -2.359 -12.368 -4.990 1.00 51.44 N ATOM 0 H LYS A 19 -1.491 -11.065 1.135 1.00 44.42 H new ATOM 0 HA LYS A 19 -3.996 -9.972 0.921 1.00 13.21 H new ATOM 0 HB2 LYS A 19 -3.088 -12.785 0.147 1.00 43.43 H new ATOM 0 HB3 LYS A 19 -4.582 -12.052 -0.403 1.00 43.43 H new ATOM 0 HG2 LYS A 19 -3.236 -10.238 -1.527 1.00 72.14 H new ATOM 0 HG3 LYS A 19 -1.768 -11.061 -1.039 1.00 72.14 H new ATOM 0 HD2 LYS A 19 -2.490 -13.096 -2.328 1.00 54.23 H new ATOM 0 HD3 LYS A 19 -3.944 -12.257 -2.829 1.00 54.23 H new ATOM 0 HE2 LYS A 19 -2.488 -10.518 -3.965 1.00 74.55 H new ATOM 0 HE3 LYS A 19 -1.082 -11.479 -3.552 1.00 74.55 H new ATOM 0 HZ1 LYS A 19 -1.840 -11.953 -5.790 1.00 51.44 H new ATOM 0 HZ2 LYS A 19 -2.011 -13.332 -4.815 1.00 51.44 H new ATOM 0 HZ3 LYS A 19 -3.374 -12.401 -5.215 1.00 51.44 H new ATOM 339 N LYS A 20 -4.037 -12.771 2.752 1.00 71.02 N ATOM 340 CA LYS A 20 -4.825 -13.625 3.657 1.00 51.12 C ATOM 341 C LYS A 20 -5.108 -12.938 5.003 1.00 15.15 C ATOM 342 O LYS A 20 -6.189 -13.121 5.561 1.00 55.42 O ATOM 343 CB LYS A 20 -4.114 -14.987 3.856 1.00 5.11 C ATOM 344 CG LYS A 20 -3.793 -15.725 2.532 1.00 42.42 C ATOM 345 CD LYS A 20 -5.042 -15.912 1.622 1.00 3.22 C ATOM 346 CE LYS A 20 -4.688 -16.444 0.227 1.00 22.34 C ATOM 347 NZ LYS A 20 -5.878 -16.558 -0.652 1.00 42.14 N ATOM 0 H LYS A 20 -3.100 -13.128 2.566 1.00 71.02 H new ATOM 0 HA LYS A 20 -5.794 -13.802 3.191 1.00 51.12 H new ATOM 0 HB2 LYS A 20 -3.186 -14.825 4.405 1.00 5.11 H new ATOM 0 HB3 LYS A 20 -4.743 -15.627 4.475 1.00 5.11 H new ATOM 0 HG2 LYS A 20 -3.033 -15.166 1.986 1.00 42.42 H new ATOM 0 HG3 LYS A 20 -3.367 -16.702 2.761 1.00 42.42 H new ATOM 0 HD2 LYS A 20 -5.736 -16.601 2.103 1.00 3.22 H new ATOM 0 HD3 LYS A 20 -5.559 -14.957 1.521 1.00 3.22 H new ATOM 0 HE2 LYS A 20 -3.958 -15.781 -0.238 1.00 22.34 H new ATOM 0 HE3 LYS A 20 -4.215 -17.421 0.323 1.00 22.34 H new ATOM 0 HZ1 LYS A 20 -5.589 -16.921 -1.583 1.00 42.14 H new ATOM 0 HZ2 LYS A 20 -6.565 -17.211 -0.224 1.00 42.14 H new ATOM 0 HZ3 LYS A 20 -6.316 -15.622 -0.767 1.00 42.14 H new ATOM 361 N GLU A 21 -4.146 -12.124 5.492 1.00 4.54 N ATOM 362 CA GLU A 21 -4.317 -11.320 6.729 1.00 62.31 C ATOM 363 C GLU A 21 -5.507 -10.356 6.571 1.00 11.40 C ATOM 364 O GLU A 21 -6.392 -10.293 7.422 1.00 50.44 O ATOM 365 CB GLU A 21 -3.027 -10.496 7.039 1.00 43.45 C ATOM 366 CG GLU A 21 -1.754 -11.322 7.306 1.00 15.15 C ATOM 367 CD GLU A 21 -1.844 -12.205 8.560 1.00 52.14 C ATOM 368 OE1 GLU A 21 -1.539 -11.712 9.664 1.00 62.35 O ATOM 369 OE2 GLU A 21 -2.217 -13.391 8.450 1.00 54.11 O ATOM 0 H GLU A 21 -3.236 -12.004 5.047 1.00 4.54 H new ATOM 0 HA GLU A 21 -4.505 -12.006 7.555 1.00 62.31 H new ATOM 0 HB2 GLU A 21 -2.835 -9.828 6.200 1.00 43.45 H new ATOM 0 HB3 GLU A 21 -3.220 -9.868 7.909 1.00 43.45 H new ATOM 0 HG2 GLU A 21 -1.553 -11.954 6.441 1.00 15.15 H new ATOM 0 HG3 GLU A 21 -0.907 -10.644 7.409 1.00 15.15 H new ATOM 376 N VAL A 22 -5.507 -9.659 5.432 1.00 14.11 N ATOM 377 CA VAL A 22 -6.439 -8.559 5.117 1.00 62.25 C ATOM 378 C VAL A 22 -7.847 -9.087 4.737 1.00 73.34 C ATOM 379 O VAL A 22 -8.870 -8.454 5.047 1.00 52.14 O ATOM 380 CB VAL A 22 -5.815 -7.696 3.961 1.00 74.45 C ATOM 381 CG1 VAL A 22 -6.693 -6.504 3.558 1.00 34.13 C ATOM 382 CG2 VAL A 22 -4.409 -7.207 4.351 1.00 34.42 C ATOM 0 H VAL A 22 -4.844 -9.844 4.680 1.00 14.11 H new ATOM 0 HA VAL A 22 -6.578 -7.939 6.003 1.00 62.25 H new ATOM 0 HB VAL A 22 -5.748 -8.349 3.091 1.00 74.45 H new ATOM 0 HG11 VAL A 22 -6.207 -5.949 2.756 1.00 34.13 H new ATOM 0 HG12 VAL A 22 -7.662 -6.866 3.213 1.00 34.13 H new ATOM 0 HG13 VAL A 22 -6.835 -5.850 4.418 1.00 34.13 H new ATOM 0 HG21 VAL A 22 -3.993 -6.611 3.539 1.00 34.42 H new ATOM 0 HG22 VAL A 22 -4.473 -6.597 5.252 1.00 34.42 H new ATOM 0 HG23 VAL A 22 -3.764 -8.066 4.539 1.00 34.42 H new ATOM 392 N GLU A 23 -7.881 -10.267 4.095 1.00 63.32 N ATOM 393 CA GLU A 23 -9.135 -10.948 3.706 1.00 51.34 C ATOM 394 C GLU A 23 -9.793 -11.624 4.932 1.00 4.32 C ATOM 395 O GLU A 23 -10.999 -11.894 4.917 1.00 23.43 O ATOM 396 CB GLU A 23 -8.870 -11.971 2.566 1.00 50.11 C ATOM 397 CG GLU A 23 -8.371 -11.329 1.254 1.00 22.23 C ATOM 398 CD GLU A 23 -8.018 -12.348 0.155 1.00 31.32 C ATOM 399 OE1 GLU A 23 -7.069 -13.147 0.348 1.00 12.54 O ATOM 400 OE2 GLU A 23 -8.671 -12.353 -0.909 1.00 5.50 O ATOM 0 H GLU A 23 -7.040 -10.779 3.829 1.00 63.32 H new ATOM 0 HA GLU A 23 -9.833 -10.201 3.327 1.00 51.34 H new ATOM 0 HB2 GLU A 23 -8.132 -12.697 2.907 1.00 50.11 H new ATOM 0 HB3 GLU A 23 -9.789 -12.521 2.363 1.00 50.11 H new ATOM 0 HG2 GLU A 23 -9.139 -10.654 0.876 1.00 22.23 H new ATOM 0 HG3 GLU A 23 -7.491 -10.723 1.469 1.00 22.23 H new ATOM 407 N ASN A 24 -8.987 -11.891 5.988 1.00 42.45 N ATOM 408 CA ASN A 24 -9.500 -12.326 7.312 1.00 14.00 C ATOM 409 C ASN A 24 -10.216 -11.155 8.017 1.00 14.55 C ATOM 410 O ASN A 24 -11.135 -11.371 8.809 1.00 3.04 O ATOM 411 CB ASN A 24 -8.356 -12.853 8.229 1.00 74.14 C ATOM 412 CG ASN A 24 -7.828 -14.249 7.875 1.00 3.31 C ATOM 413 OD1 ASN A 24 -8.556 -15.098 7.369 1.00 72.53 O ATOM 414 ND2 ASN A 24 -6.550 -14.495 8.148 1.00 42.25 N ATOM 0 H ASN A 24 -7.971 -11.812 5.948 1.00 42.45 H new ATOM 0 HA ASN A 24 -10.203 -13.140 7.136 1.00 14.00 H new ATOM 0 HB2 ASN A 24 -7.526 -12.147 8.190 1.00 74.14 H new ATOM 0 HB3 ASN A 24 -8.714 -12.867 9.258 1.00 74.14 H new ATOM 0 HD21 ASN A 24 -6.150 -15.409 7.937 1.00 42.25 H new ATOM 0 HD22 ASN A 24 -5.970 -13.769 8.569 1.00 42.25 H new ATOM 421 N GLN A 25 -9.762 -9.913 7.727 1.00 5.32 N ATOM 422 CA GLN A 25 -10.339 -8.685 8.320 1.00 74.11 C ATOM 423 C GLN A 25 -11.587 -8.236 7.531 1.00 75.13 C ATOM 424 O GLN A 25 -12.448 -7.534 8.067 1.00 33.51 O ATOM 425 CB GLN A 25 -9.289 -7.535 8.353 1.00 1.22 C ATOM 426 CG GLN A 25 -7.881 -7.932 8.852 1.00 34.44 C ATOM 427 CD GLN A 25 -7.835 -8.638 10.212 1.00 3.33 C ATOM 428 OE1 GLN A 25 -8.674 -8.419 11.083 1.00 55.31 O ATOM 429 NE2 GLN A 25 -6.834 -9.489 10.400 1.00 5.21 N ATOM 0 H GLN A 25 -8.993 -9.735 7.081 1.00 5.32 H new ATOM 0 HA GLN A 25 -10.632 -8.915 9.344 1.00 74.11 H new ATOM 0 HB2 GLN A 25 -9.196 -7.123 7.348 1.00 1.22 H new ATOM 0 HB3 GLN A 25 -9.670 -6.737 8.991 1.00 1.22 H new ATOM 0 HG2 GLN A 25 -7.422 -8.584 8.109 1.00 34.44 H new ATOM 0 HG3 GLN A 25 -7.268 -7.032 8.909 1.00 34.44 H new ATOM 0 HE21 GLN A 25 -6.154 -9.649 9.657 1.00 5.21 H new ATOM 0 HE22 GLN A 25 -6.745 -9.983 11.288 1.00 5.21 H new ATOM 438 N GLY A 26 -11.660 -8.655 6.250 1.00 52.40 N ATOM 439 CA GLY A 26 -12.789 -8.328 5.371 1.00 12.02 C ATOM 440 C GLY A 26 -12.526 -7.126 4.466 1.00 73.41 C ATOM 441 O GLY A 26 -13.429 -6.674 3.762 1.00 72.04 O ATOM 0 H GLY A 26 -10.941 -9.225 5.804 1.00 52.40 H new ATOM 0 HA2 GLY A 26 -13.021 -9.195 4.752 1.00 12.02 H new ATOM 0 HA3 GLY A 26 -13.669 -8.128 5.982 1.00 12.02 H new ATOM 445 N TYR A 27 -11.276 -6.620 4.468 1.00 61.22 N ATOM 446 CA TYR A 27 -10.871 -5.451 3.649 1.00 42.34 C ATOM 447 C TYR A 27 -10.689 -5.853 2.170 1.00 44.34 C ATOM 448 O TYR A 27 -10.565 -7.043 1.840 1.00 50.02 O ATOM 449 CB TYR A 27 -9.559 -4.823 4.201 1.00 14.45 C ATOM 450 CG TYR A 27 -9.691 -3.981 5.478 1.00 73.42 C ATOM 451 CD1 TYR A 27 -10.387 -4.443 6.596 1.00 14.25 C ATOM 452 CD2 TYR A 27 -9.121 -2.707 5.550 1.00 63.23 C ATOM 453 CE1 TYR A 27 -10.507 -3.669 7.731 1.00 52.10 C ATOM 454 CE2 TYR A 27 -9.243 -1.934 6.675 1.00 2.41 C ATOM 455 CZ TYR A 27 -9.941 -2.412 7.764 1.00 5.10 C ATOM 456 OH TYR A 27 -10.077 -1.623 8.889 1.00 11.11 O ATOM 0 H TYR A 27 -10.519 -7.005 5.033 1.00 61.22 H new ATOM 0 HA TYR A 27 -11.665 -4.707 3.708 1.00 42.34 H new ATOM 0 HB2 TYR A 27 -8.850 -5.628 4.394 1.00 14.45 H new ATOM 0 HB3 TYR A 27 -9.126 -4.196 3.422 1.00 14.45 H new ATOM 0 HD1 TYR A 27 -10.839 -5.423 6.572 1.00 14.25 H new ATOM 0 HD2 TYR A 27 -8.573 -2.324 4.702 1.00 63.23 H new ATOM 0 HE1 TYR A 27 -11.042 -4.046 8.590 1.00 52.10 H new ATOM 0 HE2 TYR A 27 -8.793 -0.953 6.709 1.00 2.41 H new ATOM 0 HH TYR A 27 -9.618 -0.769 8.747 1.00 11.11 H new ATOM 466 N GLN A 28 -10.669 -4.838 1.286 1.00 4.41 N ATOM 467 CA GLN A 28 -10.585 -5.032 -0.172 1.00 42.32 C ATOM 468 C GLN A 28 -9.106 -5.149 -0.573 1.00 21.01 C ATOM 469 O GLN A 28 -8.367 -4.173 -0.461 1.00 22.01 O ATOM 470 CB GLN A 28 -11.243 -3.827 -0.932 1.00 43.44 C ATOM 471 CG GLN A 28 -12.756 -3.576 -0.690 1.00 32.11 C ATOM 472 CD GLN A 28 -13.126 -3.150 0.742 1.00 23.55 C ATOM 473 OE1 GLN A 28 -13.024 -1.861 1.032 1.00 2.41 O flip ATOM 474 NE2 GLN A 28 -13.454 -3.980 1.591 1.00 61.53 N flip ATOM 0 H GLN A 28 -10.711 -3.858 1.565 1.00 4.41 H new ATOM 0 HA GLN A 28 -11.122 -5.941 -0.442 1.00 42.32 H new ATOM 0 HB2 GLN A 28 -10.702 -2.920 -0.660 1.00 43.44 H new ATOM 0 HB3 GLN A 28 -11.093 -3.979 -2.001 1.00 43.44 H new ATOM 0 HG2 GLN A 28 -13.096 -2.805 -1.381 1.00 32.11 H new ATOM 0 HG3 GLN A 28 -13.303 -4.486 -0.935 1.00 32.11 H new ATOM 0 HE21 GLN A 28 -13.525 -4.966 1.340 1.00 61.53 H new ATOM 0 HE22 GLN A 28 -13.655 -3.681 2.545 1.00 61.53 H new ATOM 483 N VAL A 29 -8.671 -6.340 -1.011 1.00 10.54 N ATOM 484 CA VAL A 29 -7.296 -6.552 -1.504 1.00 53.11 C ATOM 485 C VAL A 29 -7.286 -6.491 -3.030 1.00 43.22 C ATOM 486 O VAL A 29 -8.056 -7.206 -3.682 1.00 62.44 O ATOM 487 CB VAL A 29 -6.693 -7.933 -1.047 1.00 52.50 C ATOM 488 CG1 VAL A 29 -5.195 -8.070 -1.454 1.00 60.35 C ATOM 489 CG2 VAL A 29 -6.867 -8.138 0.466 1.00 14.15 C ATOM 0 H VAL A 29 -9.253 -7.177 -1.035 1.00 10.54 H new ATOM 0 HA VAL A 29 -6.678 -5.762 -1.077 1.00 53.11 H new ATOM 0 HB VAL A 29 -7.248 -8.716 -1.564 1.00 52.50 H new ATOM 0 HG11 VAL A 29 -4.814 -9.036 -1.121 1.00 60.35 H new ATOM 0 HG12 VAL A 29 -5.104 -7.998 -2.538 1.00 60.35 H new ATOM 0 HG13 VAL A 29 -4.617 -7.272 -0.988 1.00 60.35 H new ATOM 0 HG21 VAL A 29 -6.442 -9.099 0.754 1.00 14.15 H new ATOM 0 HG22 VAL A 29 -6.355 -7.339 1.003 1.00 14.15 H new ATOM 0 HG23 VAL A 29 -7.928 -8.121 0.716 1.00 14.15 H new ATOM 499 N ARG A 30 -6.444 -5.607 -3.584 1.00 32.13 N ATOM 500 CA ARG A 30 -6.131 -5.591 -5.027 1.00 75.53 C ATOM 501 C ARG A 30 -4.612 -5.661 -5.206 1.00 34.33 C ATOM 502 O ARG A 30 -3.896 -4.774 -4.729 1.00 71.11 O ATOM 503 CB ARG A 30 -6.704 -4.335 -5.759 1.00 60.25 C ATOM 504 CG ARG A 30 -8.255 -4.248 -5.810 1.00 2.13 C ATOM 505 CD ARG A 30 -8.895 -3.528 -4.603 1.00 73.03 C ATOM 506 NE ARG A 30 -9.267 -2.136 -4.941 1.00 20.54 N ATOM 507 CZ ARG A 30 -10.526 -1.689 -5.070 1.00 13.40 C ATOM 508 NH1 ARG A 30 -11.560 -2.510 -4.897 1.00 43.12 N ATOM 509 NH2 ARG A 30 -10.742 -0.431 -5.420 1.00 33.42 N ATOM 0 H ARG A 30 -5.961 -4.884 -3.050 1.00 32.13 H new ATOM 0 HA ARG A 30 -6.611 -6.458 -5.482 1.00 75.53 H new ATOM 0 HB2 ARG A 30 -6.322 -3.441 -5.266 1.00 60.25 H new ATOM 0 HB3 ARG A 30 -6.322 -4.324 -6.780 1.00 60.25 H new ATOM 0 HG2 ARG A 30 -8.548 -3.730 -6.723 1.00 2.13 H new ATOM 0 HG3 ARG A 30 -8.661 -5.258 -5.872 1.00 2.13 H new ATOM 0 HD2 ARG A 30 -9.781 -4.075 -4.279 1.00 73.03 H new ATOM 0 HD3 ARG A 30 -8.197 -3.527 -3.766 1.00 73.03 H new ATOM 0 HE ARG A 30 -8.511 -1.467 -5.087 1.00 20.54 H new ATOM 0 HH11 ARG A 30 -11.400 -3.490 -4.664 1.00 43.12 H new ATOM 0 HH12 ARG A 30 -12.512 -2.159 -4.998 1.00 43.12 H new ATOM 0 HH21 ARG A 30 -9.954 0.194 -5.590 1.00 33.42 H new ATOM 0 HH22 ARG A 30 -11.697 -0.086 -5.520 1.00 33.42 H new ATOM 523 N ASP A 31 -4.117 -6.740 -5.849 1.00 21.43 N ATOM 524 CA ASP A 31 -2.703 -6.823 -6.240 1.00 74.52 C ATOM 525 C ASP A 31 -2.543 -6.243 -7.662 1.00 61.44 C ATOM 526 O ASP A 31 -3.091 -6.765 -8.644 1.00 10.53 O ATOM 527 CB ASP A 31 -2.147 -8.272 -6.114 1.00 1.34 C ATOM 528 CG ASP A 31 -2.802 -9.302 -7.057 1.00 61.35 C ATOM 529 OD1 ASP A 31 -3.928 -9.761 -6.769 1.00 70.33 O ATOM 530 OD2 ASP A 31 -2.195 -9.657 -8.094 1.00 62.43 O ATOM 0 H ASP A 31 -4.673 -7.556 -6.104 1.00 21.43 H new ATOM 0 HA ASP A 31 -2.103 -6.226 -5.553 1.00 74.52 H new ATOM 0 HB2 ASP A 31 -1.075 -8.253 -6.309 1.00 1.34 H new ATOM 0 HB3 ASP A 31 -2.278 -8.608 -5.085 1.00 1.34 H new ATOM 535 N VAL A 32 -1.836 -5.112 -7.743 1.00 0.14 N ATOM 536 CA VAL A 32 -1.531 -4.428 -8.995 1.00 72.41 C ATOM 537 C VAL A 32 -0.121 -4.824 -9.452 1.00 33.13 C ATOM 538 O VAL A 32 0.867 -4.619 -8.735 1.00 5.04 O ATOM 539 CB VAL A 32 -1.651 -2.862 -8.828 1.00 52.31 C ATOM 540 CG1 VAL A 32 -1.203 -2.112 -10.112 1.00 24.35 C ATOM 541 CG2 VAL A 32 -3.106 -2.463 -8.442 1.00 73.33 C ATOM 0 H VAL A 32 -1.454 -4.641 -6.923 1.00 0.14 H new ATOM 0 HA VAL A 32 -2.253 -4.729 -9.754 1.00 72.41 H new ATOM 0 HB VAL A 32 -0.980 -2.565 -8.022 1.00 52.31 H new ATOM 0 HG11 VAL A 32 -1.300 -1.037 -9.958 1.00 24.35 H new ATOM 0 HG12 VAL A 32 -0.163 -2.355 -10.331 1.00 24.35 H new ATOM 0 HG13 VAL A 32 -1.831 -2.417 -10.949 1.00 24.35 H new ATOM 0 HG21 VAL A 32 -3.169 -1.380 -8.331 1.00 73.33 H new ATOM 0 HG22 VAL A 32 -3.792 -2.788 -9.224 1.00 73.33 H new ATOM 0 HG23 VAL A 32 -3.376 -2.940 -7.500 1.00 73.33 H new ATOM 551 N ASN A 33 -0.062 -5.394 -10.649 1.00 42.10 N ATOM 552 CA ASN A 33 1.175 -5.856 -11.294 1.00 4.41 C ATOM 553 C ASN A 33 1.477 -4.943 -12.495 1.00 13.41 C ATOM 554 O ASN A 33 2.634 -4.752 -12.878 1.00 3.53 O ATOM 555 CB ASN A 33 0.993 -7.326 -11.775 1.00 55.44 C ATOM 556 CG ASN A 33 0.361 -8.227 -10.707 1.00 23.42 C ATOM 557 OD1 ASN A 33 1.053 -8.870 -9.925 1.00 21.21 O ATOM 558 ND2 ASN A 33 -0.969 -8.260 -10.653 1.00 53.45 N ATOM 0 H ASN A 33 -0.892 -5.555 -11.219 1.00 42.10 H new ATOM 0 HA ASN A 33 2.004 -5.817 -10.587 1.00 4.41 H new ATOM 0 HB2 ASN A 33 0.369 -7.336 -12.668 1.00 55.44 H new ATOM 0 HB3 ASN A 33 1.963 -7.733 -12.059 1.00 55.44 H new ATOM 0 HD21 ASN A 33 -1.437 -8.830 -9.948 1.00 53.45 H new ATOM 0 HD22 ASN A 33 -1.520 -7.715 -11.316 1.00 53.45 H new ATOM 565 N ASP A 34 0.394 -4.369 -13.063 1.00 30.12 N ATOM 566 CA ASP A 34 0.422 -3.556 -14.290 1.00 43.25 C ATOM 567 C ASP A 34 -0.450 -2.301 -14.084 1.00 63.34 C ATOM 568 O ASP A 34 -1.412 -2.326 -13.302 1.00 72.24 O ATOM 569 CB ASP A 34 -0.092 -4.419 -15.479 1.00 1.40 C ATOM 570 CG ASP A 34 -0.089 -3.689 -16.836 1.00 40.43 C ATOM 571 OD1 ASP A 34 0.960 -3.669 -17.512 1.00 64.22 O ATOM 572 OD2 ASP A 34 -1.128 -3.106 -17.210 1.00 12.31 O ATOM 0 H ASP A 34 -0.542 -4.462 -12.670 1.00 30.12 H new ATOM 0 HA ASP A 34 1.438 -3.231 -14.516 1.00 43.25 H new ATOM 0 HB2 ASP A 34 0.526 -5.313 -15.559 1.00 1.40 H new ATOM 0 HB3 ASP A 34 -1.107 -4.752 -15.260 1.00 1.40 H new ATOM 577 N SER A 35 -0.128 -1.231 -14.832 1.00 73.21 N ATOM 578 CA SER A 35 -0.728 0.108 -14.672 1.00 25.02 C ATOM 579 C SER A 35 -2.254 0.135 -14.957 1.00 60.05 C ATOM 580 O SER A 35 -2.958 1.035 -14.475 1.00 74.14 O ATOM 581 CB SER A 35 -0.011 1.090 -15.618 1.00 34.43 C ATOM 582 OG SER A 35 1.402 0.997 -15.495 1.00 61.33 O ATOM 0 H SER A 35 0.567 -1.272 -15.577 1.00 73.21 H new ATOM 0 HA SER A 35 -0.600 0.398 -13.629 1.00 25.02 H new ATOM 0 HB2 SER A 35 -0.302 0.882 -16.648 1.00 34.43 H new ATOM 0 HB3 SER A 35 -0.330 2.108 -15.396 1.00 34.43 H new ATOM 0 HG SER A 35 1.826 1.632 -16.110 1.00 61.33 H new ATOM 588 N ASP A 36 -2.759 -0.856 -15.724 1.00 73.31 N ATOM 589 CA ASP A 36 -4.178 -0.904 -16.146 1.00 41.21 C ATOM 590 C ASP A 36 -5.075 -1.507 -15.051 1.00 54.34 C ATOM 591 O ASP A 36 -6.291 -1.292 -15.058 1.00 31.13 O ATOM 592 CB ASP A 36 -4.332 -1.654 -17.493 1.00 52.23 C ATOM 593 CG ASP A 36 -3.735 -0.865 -18.677 1.00 2.11 C ATOM 594 OD1 ASP A 36 -4.339 0.152 -19.081 1.00 24.14 O ATOM 595 OD2 ASP A 36 -2.663 -1.231 -19.191 1.00 72.32 O ATOM 0 H ASP A 36 -2.201 -1.639 -16.066 1.00 73.31 H new ATOM 0 HA ASP A 36 -4.513 0.122 -16.301 1.00 41.21 H new ATOM 0 HB2 ASP A 36 -3.842 -2.625 -17.423 1.00 52.23 H new ATOM 0 HB3 ASP A 36 -5.389 -1.843 -17.682 1.00 52.23 H new ATOM 600 N GLU A 37 -4.468 -2.273 -14.125 1.00 64.10 N ATOM 601 CA GLU A 37 -5.159 -2.776 -12.915 1.00 43.34 C ATOM 602 C GLU A 37 -5.315 -1.635 -11.892 1.00 61.51 C ATOM 603 O GLU A 37 -6.308 -1.569 -11.160 1.00 12.34 O ATOM 604 CB GLU A 37 -4.356 -3.942 -12.290 1.00 43.21 C ATOM 605 CG GLU A 37 -4.069 -5.095 -13.266 1.00 43.25 C ATOM 606 CD GLU A 37 -3.185 -6.199 -12.667 1.00 50.32 C ATOM 607 OE1 GLU A 37 -3.713 -7.122 -12.016 1.00 73.12 O ATOM 608 OE2 GLU A 37 -1.959 -6.145 -12.842 1.00 73.34 O ATOM 0 H GLU A 37 -3.492 -2.561 -14.190 1.00 64.10 H new ATOM 0 HA GLU A 37 -6.147 -3.141 -13.196 1.00 43.34 H new ATOM 0 HB2 GLU A 37 -3.410 -3.556 -11.911 1.00 43.21 H new ATOM 0 HB3 GLU A 37 -4.907 -4.332 -11.434 1.00 43.21 H new ATOM 0 HG2 GLU A 37 -5.014 -5.532 -13.588 1.00 43.25 H new ATOM 0 HG3 GLU A 37 -3.584 -4.695 -14.156 1.00 43.25 H new ATOM 615 N LEU A 38 -4.306 -0.739 -11.875 1.00 32.22 N ATOM 616 CA LEU A 38 -4.251 0.432 -10.998 1.00 0.43 C ATOM 617 C LEU A 38 -5.386 1.418 -11.340 1.00 2.55 C ATOM 618 O LEU A 38 -6.283 1.630 -10.522 1.00 22.42 O ATOM 619 CB LEU A 38 -2.828 1.070 -11.136 1.00 70.22 C ATOM 620 CG LEU A 38 -2.638 2.559 -10.709 1.00 72.32 C ATOM 621 CD1 LEU A 38 -3.086 2.810 -9.265 1.00 54.34 C ATOM 622 CD2 LEU A 38 -1.177 3.019 -10.920 1.00 1.42 C ATOM 0 H LEU A 38 -3.493 -0.818 -12.486 1.00 32.22 H new ATOM 0 HA LEU A 38 -4.406 0.149 -9.957 1.00 0.43 H new ATOM 0 HB2 LEU A 38 -2.135 0.466 -10.551 1.00 70.22 H new ATOM 0 HB3 LEU A 38 -2.525 0.982 -12.179 1.00 70.22 H new ATOM 0 HG LEU A 38 -3.282 3.157 -11.354 1.00 72.32 H new ATOM 0 HD11 LEU A 38 -2.934 3.860 -9.014 1.00 54.34 H new ATOM 0 HD12 LEU A 38 -4.142 2.562 -9.163 1.00 54.34 H new ATOM 0 HD13 LEU A 38 -2.500 2.187 -8.589 1.00 54.34 H new ATOM 0 HD21 LEU A 38 -1.076 4.060 -10.614 1.00 1.42 H new ATOM 0 HD22 LEU A 38 -0.510 2.398 -10.322 1.00 1.42 H new ATOM 0 HD23 LEU A 38 -0.914 2.923 -11.973 1.00 1.42 H new ATOM 634 N LYS A 39 -5.371 1.947 -12.579 1.00 0.20 N ATOM 635 CA LYS A 39 -6.342 2.968 -13.046 1.00 11.31 C ATOM 636 C LYS A 39 -7.807 2.462 -12.952 1.00 51.11 C ATOM 637 O LYS A 39 -8.740 3.253 -12.794 1.00 2.53 O ATOM 638 CB LYS A 39 -6.010 3.381 -14.505 1.00 24.15 C ATOM 639 CG LYS A 39 -6.154 2.239 -15.540 1.00 33.20 C ATOM 640 CD LYS A 39 -5.728 2.623 -16.976 1.00 40.41 C ATOM 641 CE LYS A 39 -4.229 2.968 -17.096 1.00 23.11 C ATOM 642 NZ LYS A 39 -3.813 3.146 -18.511 1.00 44.02 N ATOM 0 H LYS A 39 -4.687 1.682 -13.288 1.00 0.20 H new ATOM 0 HA LYS A 39 -6.255 3.835 -12.391 1.00 11.31 H new ATOM 0 HB2 LYS A 39 -6.665 4.203 -14.795 1.00 24.15 H new ATOM 0 HB3 LYS A 39 -4.988 3.760 -14.539 1.00 24.15 H new ATOM 0 HG2 LYS A 39 -5.556 1.389 -15.211 1.00 33.20 H new ATOM 0 HG3 LYS A 39 -7.193 1.910 -15.558 1.00 33.20 H new ATOM 0 HD2 LYS A 39 -5.959 1.797 -17.649 1.00 40.41 H new ATOM 0 HD3 LYS A 39 -6.318 3.478 -17.306 1.00 40.41 H new ATOM 0 HE2 LYS A 39 -4.021 3.881 -16.539 1.00 23.11 H new ATOM 0 HE3 LYS A 39 -3.636 2.175 -16.640 1.00 23.11 H new ATOM 0 HZ1 LYS A 39 -2.822 3.459 -18.545 1.00 44.02 H new ATOM 0 HZ2 LYS A 39 -3.908 2.242 -19.017 1.00 44.02 H new ATOM 0 HZ3 LYS A 39 -4.418 3.861 -18.963 1.00 44.02 H new ATOM 656 N LYS A 40 -7.957 1.130 -13.039 1.00 61.12 N ATOM 657 CA LYS A 40 -9.237 0.415 -12.985 1.00 72.40 C ATOM 658 C LYS A 40 -9.910 0.588 -11.618 1.00 34.15 C ATOM 659 O LYS A 40 -11.052 1.055 -11.526 1.00 70.51 O ATOM 660 CB LYS A 40 -8.949 -1.080 -13.268 1.00 3.40 C ATOM 661 CG LYS A 40 -10.140 -2.052 -13.148 1.00 75.21 C ATOM 662 CD LYS A 40 -9.769 -3.517 -13.527 1.00 12.14 C ATOM 663 CE LYS A 40 -9.651 -3.764 -15.050 1.00 51.32 C ATOM 664 NZ LYS A 40 -8.534 -3.021 -15.684 1.00 3.41 N ATOM 0 H LYS A 40 -7.161 0.502 -13.153 1.00 61.12 H new ATOM 0 HA LYS A 40 -9.923 0.820 -13.729 1.00 72.40 H new ATOM 0 HB2 LYS A 40 -8.543 -1.163 -14.276 1.00 3.40 H new ATOM 0 HB3 LYS A 40 -8.169 -1.412 -12.582 1.00 3.40 H new ATOM 0 HG2 LYS A 40 -10.518 -2.031 -12.126 1.00 75.21 H new ATOM 0 HG3 LYS A 40 -10.949 -1.709 -13.793 1.00 75.21 H new ATOM 0 HD2 LYS A 40 -8.822 -3.775 -13.053 1.00 12.14 H new ATOM 0 HD3 LYS A 40 -10.523 -4.189 -13.118 1.00 12.14 H new ATOM 0 HE2 LYS A 40 -9.515 -4.831 -15.228 1.00 51.32 H new ATOM 0 HE3 LYS A 40 -10.587 -3.478 -15.530 1.00 51.32 H new ATOM 0 HZ1 LYS A 40 -8.168 -3.566 -16.491 1.00 3.41 H new ATOM 0 HZ2 LYS A 40 -8.876 -2.097 -16.017 1.00 3.41 H new ATOM 0 HZ3 LYS A 40 -7.773 -2.879 -14.989 1.00 3.41 H new ATOM 678 N GLU A 41 -9.164 0.238 -10.555 1.00 3.04 N ATOM 679 CA GLU A 41 -9.710 0.193 -9.190 1.00 22.11 C ATOM 680 C GLU A 41 -9.812 1.606 -8.579 1.00 1.24 C ATOM 681 O GLU A 41 -10.663 1.847 -7.715 1.00 10.02 O ATOM 682 CB GLU A 41 -8.896 -0.805 -8.303 1.00 3.30 C ATOM 683 CG GLU A 41 -7.405 -0.457 -8.005 1.00 71.41 C ATOM 684 CD GLU A 41 -7.194 0.639 -6.938 1.00 11.23 C ATOM 685 OE1 GLU A 41 -7.958 0.656 -5.936 1.00 60.24 O ATOM 686 OE2 GLU A 41 -6.262 1.454 -7.082 1.00 55.42 O ATOM 0 H GLU A 41 -8.179 -0.018 -10.617 1.00 3.04 H new ATOM 0 HA GLU A 41 -10.730 -0.188 -9.234 1.00 22.11 H new ATOM 0 HB2 GLU A 41 -9.414 -0.906 -7.349 1.00 3.30 H new ATOM 0 HB3 GLU A 41 -8.923 -1.782 -8.786 1.00 3.30 H new ATOM 0 HG2 GLU A 41 -6.894 -1.363 -7.680 1.00 71.41 H new ATOM 0 HG3 GLU A 41 -6.929 -0.137 -8.932 1.00 71.41 H new ATOM 693 N MET A 42 -8.928 2.527 -9.047 1.00 72.50 N ATOM 694 CA MET A 42 -8.961 3.972 -8.689 1.00 1.10 C ATOM 695 C MET A 42 -10.329 4.587 -9.037 1.00 13.42 C ATOM 696 O MET A 42 -10.882 5.384 -8.262 1.00 61.12 O ATOM 697 CB MET A 42 -7.841 4.757 -9.441 1.00 61.01 C ATOM 698 CG MET A 42 -6.379 4.402 -9.071 1.00 12.21 C ATOM 699 SD MET A 42 -5.676 5.411 -7.738 1.00 12.23 S ATOM 700 CE MET A 42 -6.437 4.727 -6.275 1.00 23.22 C ATOM 0 H MET A 42 -8.169 2.288 -9.686 1.00 72.50 H new ATOM 0 HA MET A 42 -8.793 4.049 -7.615 1.00 1.10 H new ATOM 0 HB2 MET A 42 -7.971 4.595 -10.511 1.00 61.01 H new ATOM 0 HB3 MET A 42 -7.990 5.821 -9.259 1.00 61.01 H new ATOM 0 HG2 MET A 42 -6.336 3.353 -8.777 1.00 12.21 H new ATOM 0 HG3 MET A 42 -5.756 4.510 -9.959 1.00 12.21 H new ATOM 0 HE1 MET A 42 -7.187 5.422 -5.896 1.00 23.22 H new ATOM 0 HE2 MET A 42 -6.913 3.778 -6.522 1.00 23.22 H new ATOM 0 HE3 MET A 42 -5.676 4.563 -5.512 1.00 23.22 H new ATOM 710 N LYS A 43 -10.857 4.205 -10.223 1.00 62.11 N ATOM 711 CA LYS A 43 -12.194 4.622 -10.681 1.00 24.23 C ATOM 712 C LYS A 43 -13.280 4.094 -9.738 1.00 52.33 C ATOM 713 O LYS A 43 -14.175 4.837 -9.356 1.00 52.22 O ATOM 714 CB LYS A 43 -12.479 4.138 -12.129 1.00 1.54 C ATOM 715 CG LYS A 43 -11.592 4.782 -13.215 1.00 3.14 C ATOM 716 CD LYS A 43 -11.967 4.332 -14.651 1.00 72.11 C ATOM 717 CE LYS A 43 -13.383 4.775 -15.069 1.00 32.14 C ATOM 718 NZ LYS A 43 -13.717 4.339 -16.445 1.00 74.42 N ATOM 0 H LYS A 43 -10.367 3.602 -10.884 1.00 62.11 H new ATOM 0 HA LYS A 43 -12.211 5.712 -10.674 1.00 24.23 H new ATOM 0 HB2 LYS A 43 -12.348 3.057 -12.168 1.00 1.54 H new ATOM 0 HB3 LYS A 43 -13.523 4.341 -12.366 1.00 1.54 H new ATOM 0 HG2 LYS A 43 -11.675 5.867 -13.147 1.00 3.14 H new ATOM 0 HG3 LYS A 43 -10.550 4.529 -13.022 1.00 3.14 H new ATOM 0 HD2 LYS A 43 -11.242 4.740 -15.355 1.00 72.11 H new ATOM 0 HD3 LYS A 43 -11.898 3.246 -14.716 1.00 72.11 H new ATOM 0 HE2 LYS A 43 -14.112 4.364 -14.371 1.00 32.14 H new ATOM 0 HE3 LYS A 43 -13.457 5.861 -15.005 1.00 32.14 H new ATOM 0 HZ1 LYS A 43 -14.677 4.657 -16.687 1.00 74.42 H new ATOM 0 HZ2 LYS A 43 -13.037 4.752 -17.115 1.00 74.42 H new ATOM 0 HZ3 LYS A 43 -13.672 3.301 -16.501 1.00 74.42 H new ATOM 732 N LYS A 44 -13.154 2.812 -9.344 1.00 13.31 N ATOM 733 CA LYS A 44 -14.142 2.133 -8.477 1.00 24.55 C ATOM 734 C LYS A 44 -14.194 2.781 -7.079 1.00 35.42 C ATOM 735 O LYS A 44 -15.251 2.820 -6.454 1.00 32.41 O ATOM 736 CB LYS A 44 -13.844 0.606 -8.361 1.00 34.54 C ATOM 737 CG LYS A 44 -13.660 -0.149 -9.710 1.00 32.21 C ATOM 738 CD LYS A 44 -14.764 0.150 -10.764 1.00 63.54 C ATOM 739 CE LYS A 44 -16.196 -0.223 -10.314 1.00 51.53 C ATOM 740 NZ LYS A 44 -17.200 0.104 -11.354 1.00 52.13 N ATOM 0 H LYS A 44 -12.370 2.219 -9.615 1.00 13.31 H new ATOM 0 HA LYS A 44 -15.119 2.251 -8.945 1.00 24.55 H new ATOM 0 HB2 LYS A 44 -12.940 0.475 -7.766 1.00 34.54 H new ATOM 0 HB3 LYS A 44 -14.659 0.136 -7.811 1.00 34.54 H new ATOM 0 HG2 LYS A 44 -12.690 0.115 -10.132 1.00 32.21 H new ATOM 0 HG3 LYS A 44 -13.642 -1.221 -9.514 1.00 32.21 H new ATOM 0 HD2 LYS A 44 -14.738 1.212 -11.008 1.00 63.54 H new ATOM 0 HD3 LYS A 44 -14.531 -0.393 -11.680 1.00 63.54 H new ATOM 0 HE2 LYS A 44 -16.240 -1.288 -10.087 1.00 51.53 H new ATOM 0 HE3 LYS A 44 -16.439 0.309 -9.394 1.00 51.53 H new ATOM 0 HZ1 LYS A 44 -18.151 -0.128 -11.004 1.00 52.13 H new ATOM 0 HZ2 LYS A 44 -17.151 1.119 -11.577 1.00 52.13 H new ATOM 0 HZ3 LYS A 44 -17.003 -0.449 -12.213 1.00 52.13 H new ATOM 754 N LEU A 45 -13.041 3.303 -6.613 1.00 73.21 N ATOM 755 CA LEU A 45 -12.952 4.062 -5.351 1.00 70.32 C ATOM 756 C LEU A 45 -13.730 5.377 -5.448 1.00 61.21 C ATOM 757 O LEU A 45 -14.430 5.758 -4.512 1.00 70.31 O ATOM 758 CB LEU A 45 -11.472 4.355 -4.994 1.00 23.14 C ATOM 759 CG LEU A 45 -10.590 3.109 -4.709 1.00 65.55 C ATOM 760 CD1 LEU A 45 -9.158 3.501 -4.318 1.00 44.25 C ATOM 761 CD2 LEU A 45 -11.234 2.218 -3.638 1.00 4.00 C ATOM 0 H LEU A 45 -12.149 3.210 -7.100 1.00 73.21 H new ATOM 0 HA LEU A 45 -13.394 3.452 -4.563 1.00 70.32 H new ATOM 0 HB2 LEU A 45 -11.023 4.915 -5.814 1.00 23.14 H new ATOM 0 HB3 LEU A 45 -11.450 5.002 -4.117 1.00 23.14 H new ATOM 0 HG LEU A 45 -10.524 2.535 -5.633 1.00 65.55 H new ATOM 0 HD11 LEU A 45 -8.574 2.601 -4.127 1.00 44.25 H new ATOM 0 HD12 LEU A 45 -8.700 4.065 -5.131 1.00 44.25 H new ATOM 0 HD13 LEU A 45 -9.182 4.116 -3.418 1.00 44.25 H new ATOM 0 HD21 LEU A 45 -10.598 1.352 -3.455 1.00 4.00 H new ATOM 0 HD22 LEU A 45 -11.349 2.785 -2.714 1.00 4.00 H new ATOM 0 HD23 LEU A 45 -12.212 1.884 -3.983 1.00 4.00 H new ATOM 773 N ALA A 46 -13.589 6.051 -6.598 1.00 71.01 N ATOM 774 CA ALA A 46 -14.227 7.347 -6.859 1.00 32.22 C ATOM 775 C ALA A 46 -15.759 7.195 -7.008 1.00 43.41 C ATOM 776 O ALA A 46 -16.521 8.011 -6.481 1.00 65.14 O ATOM 777 CB ALA A 46 -13.604 7.978 -8.114 1.00 64.24 C ATOM 0 H ALA A 46 -13.026 5.710 -7.377 1.00 71.01 H new ATOM 0 HA ALA A 46 -14.053 8.007 -6.009 1.00 32.22 H new ATOM 0 HB1 ALA A 46 -14.076 8.941 -8.310 1.00 64.24 H new ATOM 0 HB2 ALA A 46 -12.535 8.124 -7.956 1.00 64.24 H new ATOM 0 HB3 ALA A 46 -13.758 7.318 -8.968 1.00 64.24 H new ATOM 783 N GLU A 47 -16.189 6.126 -7.705 1.00 71.11 N ATOM 784 CA GLU A 47 -17.614 5.869 -8.000 1.00 11.33 C ATOM 785 C GLU A 47 -18.376 5.462 -6.725 1.00 50.02 C ATOM 786 O GLU A 47 -19.373 6.097 -6.348 1.00 31.51 O ATOM 787 CB GLU A 47 -17.755 4.760 -9.078 1.00 52.11 C ATOM 788 CG GLU A 47 -17.144 5.122 -10.438 1.00 44.42 C ATOM 789 CD GLU A 47 -17.281 4.007 -11.482 1.00 42.31 C ATOM 790 OE1 GLU A 47 -16.500 3.036 -11.445 1.00 43.22 O ATOM 791 OE2 GLU A 47 -18.171 4.096 -12.354 1.00 24.33 O ATOM 0 H GLU A 47 -15.560 5.416 -8.080 1.00 71.11 H new ATOM 0 HA GLU A 47 -18.049 6.792 -8.383 1.00 11.33 H new ATOM 0 HB2 GLU A 47 -17.281 3.850 -8.710 1.00 52.11 H new ATOM 0 HB3 GLU A 47 -18.813 4.536 -9.216 1.00 52.11 H new ATOM 0 HG2 GLU A 47 -17.625 6.024 -10.816 1.00 44.42 H new ATOM 0 HG3 GLU A 47 -16.088 5.356 -10.303 1.00 44.42 H new ATOM 798 N GLU A 48 -17.869 4.411 -6.059 1.00 14.34 N ATOM 799 CA GLU A 48 -18.456 3.871 -4.823 1.00 53.41 C ATOM 800 C GLU A 48 -18.040 4.777 -3.654 1.00 31.23 C ATOM 801 O GLU A 48 -16.853 4.893 -3.357 1.00 41.25 O ATOM 802 CB GLU A 48 -17.972 2.411 -4.603 1.00 63.22 C ATOM 803 CG GLU A 48 -18.198 1.472 -5.806 1.00 31.31 C ATOM 804 CD GLU A 48 -17.591 0.070 -5.607 1.00 34.53 C ATOM 805 OE1 GLU A 48 -16.393 -0.129 -5.906 1.00 0.14 O ATOM 806 OE2 GLU A 48 -18.310 -0.845 -5.154 1.00 14.25 O ATOM 0 H GLU A 48 -17.035 3.910 -6.366 1.00 14.34 H new ATOM 0 HA GLU A 48 -19.544 3.852 -4.892 1.00 53.41 H new ATOM 0 HB2 GLU A 48 -16.908 2.427 -4.366 1.00 63.22 H new ATOM 0 HB3 GLU A 48 -18.486 1.998 -3.735 1.00 63.22 H new ATOM 0 HG2 GLU A 48 -19.269 1.375 -5.986 1.00 31.31 H new ATOM 0 HG3 GLU A 48 -17.765 1.925 -6.698 1.00 31.31 H new ATOM 813 N LYS A 49 -19.020 5.444 -3.028 1.00 10.52 N ATOM 814 CA LYS A 49 -18.759 6.476 -2.011 1.00 60.14 C ATOM 815 C LYS A 49 -18.456 5.876 -0.623 1.00 15.22 C ATOM 816 O LYS A 49 -17.333 6.002 -0.117 1.00 4.43 O ATOM 817 CB LYS A 49 -19.961 7.464 -1.919 1.00 2.11 C ATOM 818 CG LYS A 49 -20.241 8.280 -3.200 1.00 55.44 C ATOM 819 CD LYS A 49 -19.034 9.134 -3.653 1.00 53.43 C ATOM 820 CE LYS A 49 -18.514 10.114 -2.575 1.00 34.44 C ATOM 821 NZ LYS A 49 -19.559 11.071 -2.126 1.00 51.32 N ATOM 0 H LYS A 49 -20.011 5.286 -3.210 1.00 10.52 H new ATOM 0 HA LYS A 49 -17.868 7.017 -2.329 1.00 60.14 H new ATOM 0 HB2 LYS A 49 -20.857 6.898 -1.665 1.00 2.11 H new ATOM 0 HB3 LYS A 49 -19.779 8.158 -1.098 1.00 2.11 H new ATOM 0 HG2 LYS A 49 -20.518 7.598 -4.004 1.00 55.44 H new ATOM 0 HG3 LYS A 49 -21.096 8.934 -3.027 1.00 55.44 H new ATOM 0 HD2 LYS A 49 -18.222 8.469 -3.946 1.00 53.43 H new ATOM 0 HD3 LYS A 49 -19.317 9.702 -4.539 1.00 53.43 H new ATOM 0 HE2 LYS A 49 -18.152 9.547 -1.717 1.00 34.44 H new ATOM 0 HE3 LYS A 49 -17.664 10.669 -2.972 1.00 34.44 H new ATOM 0 HZ1 LYS A 49 -19.162 11.706 -1.404 1.00 51.32 H new ATOM 0 HZ2 LYS A 49 -19.887 11.632 -2.938 1.00 51.32 H new ATOM 0 HZ3 LYS A 49 -20.360 10.546 -1.722 1.00 51.32 H new ATOM 835 N ASN A 50 -19.454 5.206 -0.023 1.00 63.04 N ATOM 836 CA ASN A 50 -19.398 4.785 1.397 1.00 21.53 C ATOM 837 C ASN A 50 -19.278 3.260 1.536 1.00 62.32 C ATOM 838 O ASN A 50 -20.260 2.518 1.449 1.00 74.22 O ATOM 839 CB ASN A 50 -20.619 5.337 2.187 1.00 42.13 C ATOM 840 CG ASN A 50 -20.593 6.866 2.353 1.00 72.42 C ATOM 841 OD1 ASN A 50 -19.524 7.484 2.374 1.00 13.41 O ATOM 842 ND2 ASN A 50 -21.757 7.480 2.489 1.00 3.01 N ATOM 0 H ASN A 50 -20.317 4.941 -0.498 1.00 63.04 H new ATOM 0 HA ASN A 50 -18.496 5.214 1.833 1.00 21.53 H new ATOM 0 HB2 ASN A 50 -21.536 5.049 1.673 1.00 42.13 H new ATOM 0 HB3 ASN A 50 -20.647 4.872 3.172 1.00 42.13 H new ATOM 0 HD21 ASN A 50 -21.788 8.492 2.615 1.00 3.01 H new ATOM 0 HD22 ASN A 50 -22.623 6.942 2.467 1.00 3.01 H new ATOM 849 N PHE A 51 -18.027 2.836 1.707 1.00 21.02 N ATOM 850 CA PHE A 51 -17.626 1.479 2.114 1.00 14.21 C ATOM 851 C PHE A 51 -16.267 1.607 2.832 1.00 53.31 C ATOM 852 O PHE A 51 -15.661 2.682 2.786 1.00 74.13 O ATOM 853 CB PHE A 51 -17.579 0.500 0.901 1.00 61.43 C ATOM 854 CG PHE A 51 -16.536 0.815 -0.179 1.00 43.21 C ATOM 855 CD1 PHE A 51 -16.642 1.959 -0.972 1.00 34.52 C ATOM 856 CD2 PHE A 51 -15.460 -0.044 -0.410 1.00 53.24 C ATOM 857 CE1 PHE A 51 -15.711 2.227 -1.948 1.00 70.41 C ATOM 858 CE2 PHE A 51 -14.533 0.233 -1.388 1.00 12.53 C ATOM 859 CZ PHE A 51 -14.658 1.370 -2.155 1.00 40.30 C ATOM 0 H PHE A 51 -17.226 3.451 1.561 1.00 21.02 H new ATOM 0 HA PHE A 51 -18.361 1.045 2.792 1.00 14.21 H new ATOM 0 HB2 PHE A 51 -17.390 -0.505 1.278 1.00 61.43 H new ATOM 0 HB3 PHE A 51 -18.564 0.485 0.434 1.00 61.43 H new ATOM 0 HD1 PHE A 51 -17.465 2.641 -0.817 1.00 34.52 H new ATOM 0 HD2 PHE A 51 -15.354 -0.938 0.187 1.00 53.24 H new ATOM 0 HE1 PHE A 51 -15.808 3.115 -2.554 1.00 70.41 H new ATOM 0 HE2 PHE A 51 -13.706 -0.442 -1.554 1.00 12.53 H new ATOM 0 HZ PHE A 51 -13.927 1.588 -2.920 1.00 40.30 H new ATOM 869 N GLU A 52 -15.782 0.544 3.492 1.00 73.21 N ATOM 870 CA GLU A 52 -14.593 0.647 4.385 1.00 62.42 C ATOM 871 C GLU A 52 -13.255 0.702 3.607 1.00 33.31 C ATOM 872 O GLU A 52 -13.248 0.801 2.374 1.00 4.33 O ATOM 873 CB GLU A 52 -14.608 -0.488 5.438 1.00 41.40 C ATOM 874 CG GLU A 52 -14.430 -1.904 4.884 1.00 75.40 C ATOM 875 CD GLU A 52 -14.545 -2.964 5.983 1.00 23.02 C ATOM 876 OE1 GLU A 52 -13.537 -3.248 6.657 1.00 42.10 O ATOM 877 OE2 GLU A 52 -15.658 -3.480 6.211 1.00 40.24 O ATOM 0 H GLU A 52 -16.182 -0.392 3.433 1.00 73.21 H new ATOM 0 HA GLU A 52 -14.663 1.600 4.909 1.00 62.42 H new ATOM 0 HB2 GLU A 52 -13.816 -0.298 6.163 1.00 41.40 H new ATOM 0 HB3 GLU A 52 -15.553 -0.445 5.980 1.00 41.40 H new ATOM 0 HG2 GLU A 52 -15.182 -2.092 4.118 1.00 75.40 H new ATOM 0 HG3 GLU A 52 -13.456 -1.985 4.401 1.00 75.40 H new ATOM 884 N LYS A 53 -12.129 0.641 4.353 1.00 43.11 N ATOM 885 CA LYS A 53 -10.776 0.977 3.838 1.00 62.11 C ATOM 886 C LYS A 53 -10.280 -0.107 2.855 1.00 71.24 C ATOM 887 O LYS A 53 -10.667 -1.282 2.956 1.00 24.11 O ATOM 888 CB LYS A 53 -9.741 1.166 5.014 1.00 64.42 C ATOM 889 CG LYS A 53 -10.340 1.612 6.376 1.00 1.44 C ATOM 890 CD LYS A 53 -11.135 2.939 6.304 1.00 14.52 C ATOM 891 CE LYS A 53 -12.003 3.180 7.558 1.00 2.31 C ATOM 892 NZ LYS A 53 -11.193 3.371 8.791 1.00 21.43 N ATOM 0 H LYS A 53 -12.130 0.357 5.333 1.00 43.11 H new ATOM 0 HA LYS A 53 -10.854 1.924 3.304 1.00 62.11 H new ATOM 0 HB2 LYS A 53 -9.212 0.225 5.162 1.00 64.42 H new ATOM 0 HB3 LYS A 53 -9.000 1.903 4.706 1.00 64.42 H new ATOM 0 HG2 LYS A 53 -10.996 0.826 6.749 1.00 1.44 H new ATOM 0 HG3 LYS A 53 -9.532 1.722 7.099 1.00 1.44 H new ATOM 0 HD2 LYS A 53 -10.439 3.769 6.183 1.00 14.52 H new ATOM 0 HD3 LYS A 53 -11.774 2.928 5.421 1.00 14.52 H new ATOM 0 HE2 LYS A 53 -12.627 4.059 7.399 1.00 2.31 H new ATOM 0 HE3 LYS A 53 -12.675 2.333 7.698 1.00 2.31 H new ATOM 0 HZ1 LYS A 53 -11.363 2.579 9.444 1.00 21.43 H new ATOM 0 HZ2 LYS A 53 -10.184 3.404 8.542 1.00 21.43 H new ATOM 0 HZ3 LYS A 53 -11.466 4.263 9.251 1.00 21.43 H new ATOM 906 N ILE A 54 -9.423 0.308 1.903 1.00 62.42 N ATOM 907 CA ILE A 54 -8.936 -0.556 0.814 1.00 33.23 C ATOM 908 C ILE A 54 -7.410 -0.683 0.918 1.00 33.14 C ATOM 909 O ILE A 54 -6.713 0.290 1.237 1.00 31.53 O ATOM 910 CB ILE A 54 -9.335 -0.010 -0.622 1.00 5.41 C ATOM 911 CG1 ILE A 54 -10.880 0.212 -0.742 1.00 5.32 C ATOM 912 CG2 ILE A 54 -8.848 -0.957 -1.744 1.00 12.31 C ATOM 913 CD1 ILE A 54 -11.400 1.496 -0.126 1.00 12.23 C ATOM 0 H ILE A 54 -9.048 1.256 1.869 1.00 62.42 H new ATOM 0 HA ILE A 54 -9.410 -1.531 0.926 1.00 33.23 H new ATOM 0 HB ILE A 54 -8.838 0.952 -0.743 1.00 5.41 H new ATOM 0 HG12 ILE A 54 -11.151 0.199 -1.798 1.00 5.32 H new ATOM 0 HG13 ILE A 54 -11.389 -0.629 -0.272 1.00 5.32 H new ATOM 0 HG21 ILE A 54 -9.138 -0.552 -2.713 1.00 12.31 H new ATOM 0 HG22 ILE A 54 -7.763 -1.047 -1.699 1.00 12.31 H new ATOM 0 HG23 ILE A 54 -9.299 -1.940 -1.612 1.00 12.31 H new ATOM 0 HD11 ILE A 54 -12.480 1.554 -0.263 1.00 12.23 H new ATOM 0 HD12 ILE A 54 -11.168 1.509 0.939 1.00 12.23 H new ATOM 0 HD13 ILE A 54 -10.927 2.350 -0.611 1.00 12.23 H new ATOM 925 N LEU A 55 -6.921 -1.894 0.632 1.00 53.41 N ATOM 926 CA LEU A 55 -5.511 -2.256 0.727 1.00 35.25 C ATOM 927 C LEU A 55 -5.008 -2.749 -0.646 1.00 65.50 C ATOM 928 O LEU A 55 -5.436 -3.804 -1.151 1.00 55.01 O ATOM 929 CB LEU A 55 -5.335 -3.323 1.845 1.00 64.14 C ATOM 930 CG LEU A 55 -3.852 -3.673 2.245 1.00 51.21 C ATOM 931 CD1 LEU A 55 -3.698 -3.798 3.777 1.00 3.32 C ATOM 932 CD2 LEU A 55 -3.346 -4.954 1.527 1.00 4.42 C ATOM 0 H LEU A 55 -7.512 -2.665 0.321 1.00 53.41 H new ATOM 0 HA LEU A 55 -4.908 -1.389 0.997 1.00 35.25 H new ATOM 0 HB2 LEU A 55 -5.857 -2.975 2.736 1.00 64.14 H new ATOM 0 HB3 LEU A 55 -5.829 -4.240 1.524 1.00 64.14 H new ATOM 0 HG LEU A 55 -3.227 -2.845 1.911 1.00 51.21 H new ATOM 0 HD11 LEU A 55 -2.663 -4.040 4.020 1.00 3.32 H new ATOM 0 HD12 LEU A 55 -3.970 -2.854 4.248 1.00 3.32 H new ATOM 0 HD13 LEU A 55 -4.352 -4.589 4.145 1.00 3.32 H new ATOM 0 HD21 LEU A 55 -2.320 -5.160 1.831 1.00 4.42 H new ATOM 0 HD22 LEU A 55 -3.981 -5.798 1.798 1.00 4.42 H new ATOM 0 HD23 LEU A 55 -3.382 -4.805 0.448 1.00 4.42 H new ATOM 944 N ILE A 56 -4.119 -1.950 -1.255 1.00 62.53 N ATOM 945 CA ILE A 56 -3.555 -2.229 -2.579 1.00 31.41 C ATOM 946 C ILE A 56 -2.113 -2.727 -2.438 1.00 22.20 C ATOM 947 O ILE A 56 -1.227 -1.958 -2.062 1.00 74.23 O ATOM 948 CB ILE A 56 -3.570 -0.945 -3.495 1.00 25.21 C ATOM 949 CG1 ILE A 56 -4.972 -0.258 -3.495 1.00 13.15 C ATOM 950 CG2 ILE A 56 -3.138 -1.300 -4.942 1.00 34.32 C ATOM 951 CD1 ILE A 56 -6.107 -1.142 -3.948 1.00 13.01 C ATOM 0 H ILE A 56 -3.771 -1.087 -0.838 1.00 62.53 H new ATOM 0 HA ILE A 56 -4.172 -2.996 -3.047 1.00 31.41 H new ATOM 0 HB ILE A 56 -2.853 -0.236 -3.081 1.00 25.21 H new ATOM 0 HG12 ILE A 56 -5.187 0.098 -2.488 1.00 13.15 H new ATOM 0 HG13 ILE A 56 -4.932 0.619 -4.141 1.00 13.15 H new ATOM 0 HG21 ILE A 56 -3.155 -0.401 -5.558 1.00 34.32 H new ATOM 0 HG22 ILE A 56 -2.129 -1.712 -4.930 1.00 34.32 H new ATOM 0 HG23 ILE A 56 -3.826 -2.037 -5.357 1.00 34.32 H new ATOM 0 HD11 ILE A 56 -7.041 -0.581 -3.915 1.00 13.01 H new ATOM 0 HD12 ILE A 56 -5.921 -1.478 -4.968 1.00 13.01 H new ATOM 0 HD13 ILE A 56 -6.180 -2.007 -3.288 1.00 13.01 H new ATOM 963 N ILE A 57 -1.882 -4.010 -2.737 1.00 62.23 N ATOM 964 CA ILE A 57 -0.527 -4.557 -2.828 1.00 21.15 C ATOM 965 C ILE A 57 -0.032 -4.320 -4.260 1.00 5.12 C ATOM 966 O ILE A 57 -0.655 -4.774 -5.198 1.00 42.54 O ATOM 967 CB ILE A 57 -0.470 -6.095 -2.499 1.00 21.52 C ATOM 968 CG1 ILE A 57 -1.140 -6.399 -1.122 1.00 51.13 C ATOM 969 CG2 ILE A 57 1.003 -6.598 -2.529 1.00 14.31 C ATOM 970 CD1 ILE A 57 -1.211 -7.880 -0.757 1.00 42.10 C ATOM 0 H ILE A 57 -2.620 -4.690 -2.920 1.00 62.23 H new ATOM 0 HA ILE A 57 0.103 -4.058 -2.092 1.00 21.15 H new ATOM 0 HB ILE A 57 -1.032 -6.632 -3.263 1.00 21.52 H new ATOM 0 HG12 ILE A 57 -0.589 -5.873 -0.342 1.00 51.13 H new ATOM 0 HG13 ILE A 57 -2.151 -5.992 -1.128 1.00 51.13 H new ATOM 0 HG21 ILE A 57 1.028 -7.663 -2.300 1.00 14.31 H new ATOM 0 HG22 ILE A 57 1.425 -6.430 -3.520 1.00 14.31 H new ATOM 0 HG23 ILE A 57 1.589 -6.053 -1.788 1.00 14.31 H new ATOM 0 HD11 ILE A 57 -1.692 -7.993 0.215 1.00 42.10 H new ATOM 0 HD12 ILE A 57 -1.789 -8.413 -1.512 1.00 42.10 H new ATOM 0 HD13 ILE A 57 -0.203 -8.293 -0.713 1.00 42.10 H new ATOM 982 N SER A 58 1.079 -3.613 -4.418 1.00 74.43 N ATOM 983 CA SER A 58 1.672 -3.322 -5.723 1.00 75.22 C ATOM 984 C SER A 58 3.017 -4.040 -5.793 1.00 11.42 C ATOM 985 O SER A 58 3.755 -4.083 -4.804 1.00 3.00 O ATOM 986 CB SER A 58 1.832 -1.797 -5.923 1.00 53.15 C ATOM 987 OG SER A 58 2.393 -1.495 -7.192 1.00 54.34 O ATOM 0 H SER A 58 1.603 -3.219 -3.636 1.00 74.43 H new ATOM 0 HA SER A 58 1.024 -3.676 -6.525 1.00 75.22 H new ATOM 0 HB2 SER A 58 0.860 -1.313 -5.829 1.00 53.15 H new ATOM 0 HB3 SER A 58 2.468 -1.391 -5.137 1.00 53.15 H new ATOM 0 HG SER A 58 3.308 -1.163 -7.075 1.00 54.34 H new ATOM 993 N ASN A 59 3.312 -4.627 -6.955 1.00 44.13 N ATOM 994 CA ASN A 59 4.533 -5.421 -7.168 1.00 1.23 C ATOM 995 C ASN A 59 5.687 -4.517 -7.653 1.00 21.04 C ATOM 996 O ASN A 59 6.824 -4.974 -7.786 1.00 51.50 O ATOM 997 CB ASN A 59 4.257 -6.557 -8.198 1.00 21.44 C ATOM 998 CG ASN A 59 3.207 -7.602 -7.763 1.00 2.54 C ATOM 999 OD1 ASN A 59 2.103 -7.183 -7.148 1.00 61.52 O flip ATOM 1000 ND2 ASN A 59 3.367 -8.793 -8.034 1.00 33.52 N flip ATOM 0 H ASN A 59 2.713 -4.568 -7.778 1.00 44.13 H new ATOM 0 HA ASN A 59 4.829 -5.872 -6.221 1.00 1.23 H new ATOM 0 HB2 ASN A 59 3.929 -6.104 -9.134 1.00 21.44 H new ATOM 0 HB3 ASN A 59 5.195 -7.073 -8.405 1.00 21.44 H new ATOM 0 HD21 ASN A 59 4.218 -9.099 -8.505 1.00 33.52 H new ATOM 0 HD22 ASN A 59 2.648 -9.473 -7.787 1.00 33.52 H new ATOM 1007 N ASP A 60 5.373 -3.229 -7.903 1.00 43.22 N ATOM 1008 CA ASP A 60 6.314 -2.252 -8.470 1.00 62.31 C ATOM 1009 C ASP A 60 6.197 -0.910 -7.720 1.00 23.34 C ATOM 1010 O ASP A 60 5.091 -0.482 -7.358 1.00 55.30 O ATOM 1011 CB ASP A 60 6.013 -2.095 -9.980 1.00 5.24 C ATOM 1012 CG ASP A 60 6.882 -1.040 -10.671 1.00 45.00 C ATOM 1013 OD1 ASP A 60 8.069 -1.312 -10.934 1.00 73.13 O ATOM 1014 OD2 ASP A 60 6.391 0.068 -10.927 1.00 14.54 O ATOM 0 H ASP A 60 4.450 -2.839 -7.714 1.00 43.22 H new ATOM 0 HA ASP A 60 7.341 -2.599 -8.353 1.00 62.31 H new ATOM 0 HB2 ASP A 60 6.161 -3.056 -10.473 1.00 5.24 H new ATOM 0 HB3 ASP A 60 4.964 -1.830 -10.107 1.00 5.24 H new ATOM 1019 N LYS A 61 7.352 -0.255 -7.491 1.00 24.41 N ATOM 1020 CA LYS A 61 7.440 0.970 -6.661 1.00 34.21 C ATOM 1021 C LYS A 61 7.143 2.249 -7.463 1.00 44.44 C ATOM 1022 O LYS A 61 6.842 3.294 -6.874 1.00 21.54 O ATOM 1023 CB LYS A 61 8.830 1.053 -5.979 1.00 4.02 C ATOM 1024 CG LYS A 61 9.135 -0.153 -5.064 1.00 72.32 C ATOM 1025 CD LYS A 61 10.504 -0.056 -4.359 1.00 55.11 C ATOM 1026 CE LYS A 61 10.811 -1.294 -3.490 1.00 31.54 C ATOM 1027 NZ LYS A 61 10.950 -2.543 -4.300 1.00 75.15 N ATOM 0 H LYS A 61 8.249 -0.556 -7.873 1.00 24.41 H new ATOM 0 HA LYS A 61 6.669 0.900 -5.893 1.00 34.21 H new ATOM 0 HB2 LYS A 61 9.600 1.121 -6.747 1.00 4.02 H new ATOM 0 HB3 LYS A 61 8.884 1.969 -5.391 1.00 4.02 H new ATOM 0 HG2 LYS A 61 8.352 -0.235 -4.311 1.00 72.32 H new ATOM 0 HG3 LYS A 61 9.104 -1.067 -5.657 1.00 72.32 H new ATOM 0 HD2 LYS A 61 11.287 0.061 -5.108 1.00 55.11 H new ATOM 0 HD3 LYS A 61 10.525 0.837 -3.734 1.00 55.11 H new ATOM 0 HE2 LYS A 61 11.731 -1.123 -2.932 1.00 31.54 H new ATOM 0 HE3 LYS A 61 10.014 -1.426 -2.758 1.00 31.54 H new ATOM 0 HZ1 LYS A 61 11.336 -3.303 -3.703 1.00 75.15 H new ATOM 0 HZ2 LYS A 61 10.018 -2.827 -4.663 1.00 75.15 H new ATOM 0 HZ3 LYS A 61 11.594 -2.369 -5.098 1.00 75.15 H new ATOM 1041 N GLN A 62 7.215 2.162 -8.803 1.00 24.21 N ATOM 1042 CA GLN A 62 6.884 3.296 -9.691 1.00 30.13 C ATOM 1043 C GLN A 62 5.349 3.456 -9.767 1.00 24.00 C ATOM 1044 O GLN A 62 4.835 4.580 -9.863 1.00 42.44 O ATOM 1045 CB GLN A 62 7.499 3.096 -11.109 1.00 71.42 C ATOM 1046 CG GLN A 62 8.999 2.709 -11.135 1.00 70.51 C ATOM 1047 CD GLN A 62 9.902 3.665 -10.343 1.00 45.12 C ATOM 1048 OE1 GLN A 62 10.400 4.659 -10.872 1.00 14.13 O ATOM 1049 NE2 GLN A 62 10.129 3.355 -9.073 1.00 32.32 N ATOM 0 H GLN A 62 7.500 1.317 -9.298 1.00 24.21 H new ATOM 0 HA GLN A 62 7.316 4.208 -9.279 1.00 30.13 H new ATOM 0 HB2 GLN A 62 6.933 2.321 -11.626 1.00 71.42 H new ATOM 0 HB3 GLN A 62 7.369 4.018 -11.676 1.00 71.42 H new ATOM 0 HG2 GLN A 62 9.111 1.702 -10.733 1.00 70.51 H new ATOM 0 HG3 GLN A 62 9.338 2.678 -12.170 1.00 70.51 H new ATOM 0 HE21 GLN A 62 9.700 2.524 -8.666 1.00 32.32 H new ATOM 0 HE22 GLN A 62 10.732 3.948 -8.503 1.00 32.32 H new ATOM 1058 N LEU A 63 4.631 2.307 -9.676 1.00 34.24 N ATOM 1059 CA LEU A 63 3.154 2.268 -9.623 1.00 22.21 C ATOM 1060 C LEU A 63 2.643 2.895 -8.312 1.00 42.13 C ATOM 1061 O LEU A 63 1.565 3.502 -8.293 1.00 22.41 O ATOM 1062 CB LEU A 63 2.626 0.808 -9.746 1.00 41.14 C ATOM 1063 CG LEU A 63 2.965 0.052 -11.069 1.00 3.12 C ATOM 1064 CD1 LEU A 63 2.381 -1.376 -11.077 1.00 64.43 C ATOM 1065 CD2 LEU A 63 2.509 0.847 -12.309 1.00 34.54 C ATOM 0 H LEU A 63 5.064 1.384 -9.638 1.00 34.24 H new ATOM 0 HA LEU A 63 2.778 2.846 -10.467 1.00 22.21 H new ATOM 0 HB2 LEU A 63 3.024 0.230 -8.912 1.00 41.14 H new ATOM 0 HB3 LEU A 63 1.542 0.827 -9.632 1.00 41.14 H new ATOM 0 HG LEU A 63 4.050 -0.038 -11.115 1.00 3.12 H new ATOM 0 HD11 LEU A 63 2.639 -1.869 -12.014 1.00 64.43 H new ATOM 0 HD12 LEU A 63 2.795 -1.943 -10.243 1.00 64.43 H new ATOM 0 HD13 LEU A 63 1.297 -1.326 -10.979 1.00 64.43 H new ATOM 0 HD21 LEU A 63 2.761 0.290 -13.211 1.00 34.54 H new ATOM 0 HD22 LEU A 63 1.431 1.000 -12.267 1.00 34.54 H new ATOM 0 HD23 LEU A 63 3.012 1.814 -12.327 1.00 34.54 H new ATOM 1077 N LEU A 64 3.437 2.731 -7.221 1.00 0.22 N ATOM 1078 CA LEU A 64 3.136 3.334 -5.909 1.00 21.12 C ATOM 1079 C LEU A 64 3.032 4.849 -6.031 1.00 75.12 C ATOM 1080 O LEU A 64 2.027 5.406 -5.644 1.00 3.12 O ATOM 1081 CB LEU A 64 4.220 3.025 -4.852 1.00 44.30 C ATOM 1082 CG LEU A 64 4.409 1.551 -4.426 1.00 2.41 C ATOM 1083 CD1 LEU A 64 5.584 1.449 -3.435 1.00 32.22 C ATOM 1084 CD2 LEU A 64 3.106 0.956 -3.834 1.00 62.34 C ATOM 0 H LEU A 64 4.296 2.180 -7.232 1.00 0.22 H new ATOM 0 HA LEU A 64 2.190 2.898 -5.586 1.00 21.12 H new ATOM 0 HB2 LEU A 64 5.174 3.389 -5.234 1.00 44.30 H new ATOM 0 HB3 LEU A 64 3.992 3.606 -3.958 1.00 44.30 H new ATOM 0 HG LEU A 64 4.645 0.958 -5.309 1.00 2.41 H new ATOM 0 HD11 LEU A 64 5.717 0.410 -3.135 1.00 32.22 H new ATOM 0 HD12 LEU A 64 6.495 1.808 -3.913 1.00 32.22 H new ATOM 0 HD13 LEU A 64 5.372 2.057 -2.555 1.00 32.22 H new ATOM 0 HD21 LEU A 64 3.278 -0.081 -3.546 1.00 62.34 H new ATOM 0 HD22 LEU A 64 2.809 1.532 -2.957 1.00 62.34 H new ATOM 0 HD23 LEU A 64 2.314 0.999 -4.582 1.00 62.34 H new ATOM 1096 N LYS A 65 4.088 5.484 -6.592 1.00 30.42 N ATOM 1097 CA LYS A 65 4.218 6.954 -6.665 1.00 13.13 C ATOM 1098 C LYS A 65 2.972 7.593 -7.317 1.00 44.42 C ATOM 1099 O LYS A 65 2.393 8.546 -6.778 1.00 72.20 O ATOM 1100 CB LYS A 65 5.502 7.337 -7.460 1.00 70.51 C ATOM 1101 CG LYS A 65 5.702 8.860 -7.654 1.00 43.43 C ATOM 1102 CD LYS A 65 5.865 9.621 -6.311 1.00 14.10 C ATOM 1103 CE LYS A 65 5.798 11.145 -6.482 1.00 13.21 C ATOM 1104 NZ LYS A 65 6.875 11.686 -7.352 1.00 13.21 N ATOM 0 H LYS A 65 4.876 4.987 -7.008 1.00 30.42 H new ATOM 0 HA LYS A 65 4.299 7.340 -5.649 1.00 13.13 H new ATOM 0 HB2 LYS A 65 6.371 6.932 -6.941 1.00 70.51 H new ATOM 0 HB3 LYS A 65 5.464 6.860 -8.439 1.00 70.51 H new ATOM 0 HG2 LYS A 65 6.583 9.030 -8.272 1.00 43.43 H new ATOM 0 HG3 LYS A 65 4.849 9.268 -8.196 1.00 43.43 H new ATOM 0 HD2 LYS A 65 5.084 9.302 -5.620 1.00 14.10 H new ATOM 0 HD3 LYS A 65 6.820 9.352 -5.859 1.00 14.10 H new ATOM 0 HE2 LYS A 65 4.830 11.414 -6.904 1.00 13.21 H new ATOM 0 HE3 LYS A 65 5.861 11.617 -5.501 1.00 13.21 H new ATOM 0 HZ1 LYS A 65 6.775 12.718 -7.427 1.00 13.21 H new ATOM 0 HZ2 LYS A 65 7.802 11.457 -6.940 1.00 13.21 H new ATOM 0 HZ3 LYS A 65 6.803 11.261 -8.299 1.00 13.21 H new ATOM 1118 N GLU A 66 2.577 7.024 -8.470 1.00 61.02 N ATOM 1119 CA GLU A 66 1.386 7.441 -9.235 1.00 35.44 C ATOM 1120 C GLU A 66 0.114 7.305 -8.385 1.00 62.30 C ATOM 1121 O GLU A 66 -0.687 8.240 -8.296 1.00 14.23 O ATOM 1122 CB GLU A 66 1.283 6.581 -10.527 1.00 63.43 C ATOM 1123 CG GLU A 66 2.542 6.638 -11.412 1.00 0.23 C ATOM 1124 CD GLU A 66 2.495 5.654 -12.589 1.00 51.43 C ATOM 1125 OE1 GLU A 66 2.789 4.454 -12.383 1.00 21.44 O ATOM 1126 OE2 GLU A 66 2.146 6.066 -13.717 1.00 52.34 O ATOM 0 H GLU A 66 3.082 6.251 -8.903 1.00 61.02 H new ATOM 0 HA GLU A 66 1.485 8.491 -9.509 1.00 35.44 H new ATOM 0 HB2 GLU A 66 1.092 5.545 -10.248 1.00 63.43 H new ATOM 0 HB3 GLU A 66 0.425 6.918 -11.109 1.00 63.43 H new ATOM 0 HG2 GLU A 66 2.663 7.651 -11.797 1.00 0.23 H new ATOM 0 HG3 GLU A 66 3.419 6.423 -10.801 1.00 0.23 H new ATOM 1133 N MET A 67 -0.012 6.145 -7.723 1.00 5.13 N ATOM 1134 CA MET A 67 -1.193 5.779 -6.920 1.00 65.51 C ATOM 1135 C MET A 67 -1.367 6.734 -5.712 1.00 4.03 C ATOM 1136 O MET A 67 -2.470 7.202 -5.451 1.00 21.31 O ATOM 1137 CB MET A 67 -1.030 4.316 -6.447 1.00 64.42 C ATOM 1138 CG MET A 67 -2.292 3.634 -5.894 1.00 65.25 C ATOM 1139 SD MET A 67 -1.954 1.982 -5.229 1.00 11.20 S ATOM 1140 CE MET A 67 -0.980 1.210 -6.528 1.00 64.31 C ATOM 0 H MET A 67 0.711 5.425 -7.729 1.00 5.13 H new ATOM 0 HA MET A 67 -2.091 5.871 -7.531 1.00 65.51 H new ATOM 0 HB2 MET A 67 -0.661 3.725 -7.285 1.00 64.42 H new ATOM 0 HB3 MET A 67 -0.261 4.290 -5.675 1.00 64.42 H new ATOM 0 HG2 MET A 67 -2.723 4.256 -5.110 1.00 65.25 H new ATOM 0 HG3 MET A 67 -3.037 3.558 -6.686 1.00 65.25 H new ATOM 0 HE1 MET A 67 -1.410 0.240 -6.778 1.00 64.31 H new ATOM 0 HE2 MET A 67 -0.983 1.847 -7.413 1.00 64.31 H new ATOM 0 HE3 MET A 67 0.045 1.074 -6.183 1.00 64.31 H new ATOM 1150 N LEU A 68 -0.245 7.026 -5.009 1.00 52.33 N ATOM 1151 CA LEU A 68 -0.179 7.960 -3.853 1.00 21.34 C ATOM 1152 C LEU A 68 -0.758 9.338 -4.221 1.00 51.23 C ATOM 1153 O LEU A 68 -1.522 9.934 -3.450 1.00 1.12 O ATOM 1154 CB LEU A 68 1.301 8.147 -3.394 1.00 31.25 C ATOM 1155 CG LEU A 68 2.054 6.880 -2.874 1.00 33.33 C ATOM 1156 CD1 LEU A 68 3.565 7.140 -2.742 1.00 53.42 C ATOM 1157 CD2 LEU A 68 1.473 6.376 -1.539 1.00 34.12 C ATOM 0 H LEU A 68 0.659 6.611 -5.233 1.00 52.33 H new ATOM 0 HA LEU A 68 -0.769 7.527 -3.045 1.00 21.34 H new ATOM 0 HB2 LEU A 68 1.866 8.555 -4.232 1.00 31.25 H new ATOM 0 HB3 LEU A 68 1.317 8.897 -2.604 1.00 31.25 H new ATOM 0 HG LEU A 68 1.906 6.097 -3.618 1.00 33.33 H new ATOM 0 HD11 LEU A 68 4.059 6.239 -2.378 1.00 53.42 H new ATOM 0 HD12 LEU A 68 3.974 7.410 -3.716 1.00 53.42 H new ATOM 0 HD13 LEU A 68 3.734 7.955 -2.039 1.00 53.42 H new ATOM 0 HD21 LEU A 68 2.024 5.494 -1.212 1.00 34.12 H new ATOM 0 HD22 LEU A 68 1.561 7.159 -0.785 1.00 34.12 H new ATOM 0 HD23 LEU A 68 0.423 6.118 -1.674 1.00 34.12 H new ATOM 1169 N GLU A 69 -0.367 9.823 -5.415 1.00 40.15 N ATOM 1170 CA GLU A 69 -0.801 11.120 -5.944 1.00 31.35 C ATOM 1171 C GLU A 69 -2.306 11.103 -6.268 1.00 62.54 C ATOM 1172 O GLU A 69 -3.017 12.035 -5.904 1.00 40.42 O ATOM 1173 CB GLU A 69 0.039 11.496 -7.192 1.00 61.11 C ATOM 1174 CG GLU A 69 1.532 11.762 -6.896 1.00 30.20 C ATOM 1175 CD GLU A 69 2.328 12.199 -8.139 1.00 12.50 C ATOM 1176 OE1 GLU A 69 2.184 13.369 -8.563 1.00 72.23 O ATOM 1177 OE2 GLU A 69 3.095 11.384 -8.700 1.00 54.43 O ATOM 0 H GLU A 69 0.263 9.319 -6.040 1.00 40.15 H new ATOM 0 HA GLU A 69 -0.638 11.881 -5.181 1.00 31.35 H new ATOM 0 HB2 GLU A 69 -0.037 10.691 -7.923 1.00 61.11 H new ATOM 0 HB3 GLU A 69 -0.392 12.385 -7.652 1.00 61.11 H new ATOM 0 HG2 GLU A 69 1.612 12.534 -6.131 1.00 30.20 H new ATOM 0 HG3 GLU A 69 1.981 10.858 -6.484 1.00 30.20 H new ATOM 1184 N LEU A 70 -2.781 10.016 -6.911 1.00 11.42 N ATOM 1185 CA LEU A 70 -4.206 9.852 -7.295 1.00 11.31 C ATOM 1186 C LEU A 70 -5.122 9.870 -6.050 1.00 12.03 C ATOM 1187 O LEU A 70 -6.130 10.583 -6.018 1.00 24.44 O ATOM 1188 CB LEU A 70 -4.386 8.540 -8.103 1.00 25.24 C ATOM 1189 CG LEU A 70 -3.659 8.497 -9.484 1.00 61.21 C ATOM 1190 CD1 LEU A 70 -3.726 7.095 -10.121 1.00 14.11 C ATOM 1191 CD2 LEU A 70 -4.213 9.581 -10.439 1.00 35.14 C ATOM 0 H LEU A 70 -2.193 9.227 -7.180 1.00 11.42 H new ATOM 0 HA LEU A 70 -4.497 10.692 -7.926 1.00 11.31 H new ATOM 0 HB2 LEU A 70 -4.027 7.708 -7.497 1.00 25.24 H new ATOM 0 HB3 LEU A 70 -5.451 8.378 -8.267 1.00 25.24 H new ATOM 0 HG LEU A 70 -2.606 8.717 -9.307 1.00 61.21 H new ATOM 0 HD11 LEU A 70 -3.209 7.106 -11.081 1.00 14.11 H new ATOM 0 HD12 LEU A 70 -3.248 6.372 -9.460 1.00 14.11 H new ATOM 0 HD13 LEU A 70 -4.768 6.814 -10.274 1.00 14.11 H new ATOM 0 HD21 LEU A 70 -3.689 9.528 -11.393 1.00 35.14 H new ATOM 0 HD22 LEU A 70 -5.278 9.414 -10.601 1.00 35.14 H new ATOM 0 HD23 LEU A 70 -4.063 10.566 -9.997 1.00 35.14 H new ATOM 1203 N ILE A 71 -4.713 9.117 -5.019 1.00 44.14 N ATOM 1204 CA ILE A 71 -5.419 9.020 -3.721 1.00 64.33 C ATOM 1205 C ILE A 71 -5.467 10.383 -2.992 1.00 24.44 C ATOM 1206 O ILE A 71 -6.431 10.672 -2.266 1.00 3.51 O ATOM 1207 CB ILE A 71 -4.711 7.934 -2.823 1.00 4.14 C ATOM 1208 CG1 ILE A 71 -4.837 6.530 -3.488 1.00 54.01 C ATOM 1209 CG2 ILE A 71 -5.250 7.904 -1.372 1.00 42.02 C ATOM 1210 CD1 ILE A 71 -4.002 5.433 -2.854 1.00 42.31 C ATOM 0 H ILE A 71 -3.869 8.546 -5.058 1.00 44.14 H new ATOM 0 HA ILE A 71 -6.450 8.722 -3.910 1.00 64.33 H new ATOM 0 HB ILE A 71 -3.659 8.211 -2.753 1.00 4.14 H new ATOM 0 HG12 ILE A 71 -5.884 6.227 -3.463 1.00 54.01 H new ATOM 0 HG13 ILE A 71 -4.556 6.617 -4.537 1.00 54.01 H new ATOM 0 HG21 ILE A 71 -4.724 7.137 -0.804 1.00 42.02 H new ATOM 0 HG22 ILE A 71 -5.090 8.875 -0.904 1.00 42.02 H new ATOM 0 HG23 ILE A 71 -6.316 7.679 -1.385 1.00 42.02 H new ATOM 0 HD11 ILE A 71 -4.162 4.498 -3.391 1.00 42.31 H new ATOM 0 HD12 ILE A 71 -2.947 5.704 -2.903 1.00 42.31 H new ATOM 0 HD13 ILE A 71 -4.296 5.308 -1.812 1.00 42.31 H new ATOM 1222 N SER A 72 -4.427 11.212 -3.219 1.00 72.31 N ATOM 1223 CA SER A 72 -4.293 12.537 -2.595 1.00 54.24 C ATOM 1224 C SER A 72 -5.455 13.471 -3.017 1.00 42.03 C ATOM 1225 O SER A 72 -6.079 14.103 -2.158 1.00 0.54 O ATOM 1226 CB SER A 72 -2.911 13.147 -2.941 1.00 22.34 C ATOM 1227 OG SER A 72 -2.673 14.356 -2.248 1.00 20.40 O ATOM 0 H SER A 72 -3.656 10.977 -3.843 1.00 72.31 H new ATOM 0 HA SER A 72 -4.353 12.425 -1.512 1.00 54.24 H new ATOM 0 HB2 SER A 72 -2.128 12.430 -2.697 1.00 22.34 H new ATOM 0 HB3 SER A 72 -2.854 13.328 -4.014 1.00 22.34 H new ATOM 0 HG SER A 72 -1.791 14.706 -2.494 1.00 20.40 H new ATOM 1233 N LYS A 73 -5.777 13.534 -4.341 1.00 50.41 N ATOM 1234 CA LYS A 73 -6.923 14.357 -4.834 1.00 22.13 C ATOM 1235 C LYS A 73 -8.259 13.576 -4.803 1.00 3.41 C ATOM 1236 O LYS A 73 -9.319 14.163 -5.069 1.00 62.11 O ATOM 1237 CB LYS A 73 -6.685 15.018 -6.233 1.00 54.30 C ATOM 1238 CG LYS A 73 -6.658 14.088 -7.475 1.00 24.43 C ATOM 1239 CD LYS A 73 -5.334 13.330 -7.672 1.00 74.00 C ATOM 1240 CE LYS A 73 -4.110 14.258 -7.796 1.00 64.11 C ATOM 1241 NZ LYS A 73 -4.165 15.120 -9.001 1.00 4.23 N ATOM 0 H LYS A 73 -5.271 13.036 -5.073 1.00 50.41 H new ATOM 0 HA LYS A 73 -6.996 15.182 -4.125 1.00 22.13 H new ATOM 0 HB2 LYS A 73 -7.465 15.763 -6.389 1.00 54.30 H new ATOM 0 HB3 LYS A 73 -5.736 15.553 -6.194 1.00 54.30 H new ATOM 0 HG2 LYS A 73 -7.468 13.364 -7.389 1.00 24.43 H new ATOM 0 HG3 LYS A 73 -6.857 14.685 -8.365 1.00 24.43 H new ATOM 0 HD2 LYS A 73 -5.183 12.653 -6.832 1.00 74.00 H new ATOM 0 HD3 LYS A 73 -5.406 12.714 -8.569 1.00 74.00 H new ATOM 0 HE2 LYS A 73 -4.044 14.886 -6.908 1.00 64.11 H new ATOM 0 HE3 LYS A 73 -3.203 13.654 -7.827 1.00 64.11 H new ATOM 0 HZ1 LYS A 73 -3.319 15.723 -9.035 1.00 4.23 H new ATOM 0 HZ2 LYS A 73 -4.200 14.524 -9.853 1.00 4.23 H new ATOM 0 HZ3 LYS A 73 -5.015 15.718 -8.962 1.00 4.23 H new ATOM 1255 N LEU A 74 -8.221 12.257 -4.483 1.00 32.31 N ATOM 1256 CA LEU A 74 -9.451 11.496 -4.162 1.00 24.24 C ATOM 1257 C LEU A 74 -9.930 11.891 -2.752 1.00 71.23 C ATOM 1258 O LEU A 74 -11.132 11.948 -2.496 1.00 22.44 O ATOM 1259 CB LEU A 74 -9.233 9.957 -4.257 1.00 3.41 C ATOM 1260 CG LEU A 74 -9.081 9.356 -5.696 1.00 43.14 C ATOM 1261 CD1 LEU A 74 -8.807 7.831 -5.664 1.00 73.32 C ATOM 1262 CD2 LEU A 74 -10.319 9.676 -6.560 1.00 73.23 C ATOM 0 H LEU A 74 -7.363 11.707 -4.441 1.00 32.31 H new ATOM 0 HA LEU A 74 -10.213 11.748 -4.899 1.00 24.24 H new ATOM 0 HB2 LEU A 74 -8.339 9.704 -3.686 1.00 3.41 H new ATOM 0 HB3 LEU A 74 -10.073 9.463 -3.769 1.00 3.41 H new ATOM 0 HG LEU A 74 -8.212 9.829 -6.152 1.00 43.14 H new ATOM 0 HD11 LEU A 74 -8.709 7.458 -6.683 1.00 73.32 H new ATOM 0 HD12 LEU A 74 -7.884 7.639 -5.117 1.00 73.32 H new ATOM 0 HD13 LEU A 74 -9.635 7.323 -5.170 1.00 73.32 H new ATOM 0 HD21 LEU A 74 -10.189 9.248 -7.554 1.00 73.23 H new ATOM 0 HD22 LEU A 74 -11.208 9.250 -6.095 1.00 73.23 H new ATOM 0 HD23 LEU A 74 -10.436 10.757 -6.642 1.00 73.23 H new ATOM 1274 N GLY A 75 -8.962 12.173 -1.853 1.00 73.11 N ATOM 1275 CA GLY A 75 -9.242 12.740 -0.526 1.00 23.13 C ATOM 1276 C GLY A 75 -9.109 11.746 0.622 1.00 55.43 C ATOM 1277 O GLY A 75 -9.492 12.063 1.749 1.00 30.23 O ATOM 0 H GLY A 75 -7.970 12.013 -2.031 1.00 73.11 H new ATOM 0 HA2 GLY A 75 -8.563 13.574 -0.350 1.00 23.13 H new ATOM 0 HA3 GLY A 75 -10.253 13.147 -0.524 1.00 23.13 H new ATOM 1281 N TYR A 76 -8.551 10.546 0.347 1.00 21.53 N ATOM 1282 CA TYR A 76 -8.319 9.518 1.392 1.00 22.21 C ATOM 1283 C TYR A 76 -6.993 9.801 2.115 1.00 50.13 C ATOM 1284 O TYR A 76 -6.126 10.509 1.575 1.00 33.42 O ATOM 1285 CB TYR A 76 -8.261 8.088 0.785 1.00 34.20 C ATOM 1286 CG TYR A 76 -9.416 7.732 -0.159 1.00 62.45 C ATOM 1287 CD1 TYR A 76 -10.739 7.801 0.268 1.00 62.12 C ATOM 1288 CD2 TYR A 76 -9.177 7.329 -1.477 1.00 1.15 C ATOM 1289 CE1 TYR A 76 -11.778 7.487 -0.579 1.00 32.44 C ATOM 1290 CE2 TYR A 76 -10.213 7.010 -2.324 1.00 72.03 C ATOM 1291 CZ TYR A 76 -11.511 7.097 -1.874 1.00 44.20 C ATOM 1292 OH TYR A 76 -12.545 6.803 -2.725 1.00 21.50 O ATOM 0 H TYR A 76 -8.253 10.264 -0.587 1.00 21.53 H new ATOM 0 HA TYR A 76 -9.153 9.566 2.092 1.00 22.21 H new ATOM 0 HB2 TYR A 76 -7.322 7.979 0.242 1.00 34.20 H new ATOM 0 HB3 TYR A 76 -8.243 7.365 1.600 1.00 34.20 H new ATOM 0 HD1 TYR A 76 -10.954 8.106 1.281 1.00 62.12 H new ATOM 0 HD2 TYR A 76 -8.160 7.267 -1.836 1.00 1.15 H new ATOM 0 HE1 TYR A 76 -12.798 7.546 -0.230 1.00 32.44 H new ATOM 0 HE2 TYR A 76 -10.009 6.693 -3.336 1.00 72.03 H new ATOM 0 HH TYR A 76 -12.281 7.012 -3.645 1.00 21.50 H new ATOM 1302 N LYS A 77 -6.829 9.233 3.325 1.00 63.21 N ATOM 1303 CA LYS A 77 -5.534 9.253 4.030 1.00 22.35 C ATOM 1304 C LYS A 77 -4.546 8.385 3.242 1.00 53.50 C ATOM 1305 O LYS A 77 -4.784 7.185 3.059 1.00 32.41 O ATOM 1306 CB LYS A 77 -5.657 8.742 5.494 1.00 64.42 C ATOM 1307 CG LYS A 77 -4.301 8.635 6.254 1.00 43.55 C ATOM 1308 CD LYS A 77 -4.410 8.032 7.684 1.00 74.35 C ATOM 1309 CE LYS A 77 -4.926 9.023 8.754 1.00 2.11 C ATOM 1310 NZ LYS A 77 -6.311 9.495 8.496 1.00 54.40 N ATOM 0 H LYS A 77 -7.574 8.756 3.833 1.00 63.21 H new ATOM 0 HA LYS A 77 -5.180 10.282 4.088 1.00 22.35 H new ATOM 0 HB2 LYS A 77 -6.317 9.412 6.046 1.00 64.42 H new ATOM 0 HB3 LYS A 77 -6.133 7.761 5.485 1.00 64.42 H new ATOM 0 HG2 LYS A 77 -3.617 8.023 5.666 1.00 43.55 H new ATOM 0 HG3 LYS A 77 -3.859 9.629 6.325 1.00 43.55 H new ATOM 0 HD2 LYS A 77 -5.076 7.170 7.652 1.00 74.35 H new ATOM 0 HD3 LYS A 77 -3.429 7.666 7.987 1.00 74.35 H new ATOM 0 HE2 LYS A 77 -4.889 8.543 9.732 1.00 2.11 H new ATOM 0 HE3 LYS A 77 -4.258 9.883 8.795 1.00 2.11 H new ATOM 0 HZ1 LYS A 77 -6.785 9.690 9.401 1.00 54.40 H new ATOM 0 HZ2 LYS A 77 -6.281 10.364 7.926 1.00 54.40 H new ATOM 0 HZ3 LYS A 77 -6.838 8.761 7.981 1.00 54.40 H new ATOM 1324 N VAL A 78 -3.455 8.996 2.770 1.00 63.03 N ATOM 1325 CA VAL A 78 -2.487 8.311 1.920 1.00 1.14 C ATOM 1326 C VAL A 78 -1.448 7.635 2.824 1.00 74.42 C ATOM 1327 O VAL A 78 -0.600 8.312 3.434 1.00 21.15 O ATOM 1328 CB VAL A 78 -1.776 9.305 0.930 1.00 40.42 C ATOM 1329 CG1 VAL A 78 -0.923 8.536 -0.101 1.00 42.30 C ATOM 1330 CG2 VAL A 78 -2.795 10.236 0.224 1.00 55.24 C ATOM 0 H VAL A 78 -3.223 9.970 2.966 1.00 63.03 H new ATOM 0 HA VAL A 78 -3.009 7.571 1.313 1.00 1.14 H new ATOM 0 HB VAL A 78 -1.112 9.937 1.519 1.00 40.42 H new ATOM 0 HG11 VAL A 78 -0.441 9.244 -0.775 1.00 42.30 H new ATOM 0 HG12 VAL A 78 -0.162 7.954 0.418 1.00 42.30 H new ATOM 0 HG13 VAL A 78 -1.563 7.866 -0.676 1.00 42.30 H new ATOM 0 HG21 VAL A 78 -2.266 10.908 -0.452 1.00 55.24 H new ATOM 0 HG22 VAL A 78 -3.504 9.634 -0.344 1.00 55.24 H new ATOM 0 HG23 VAL A 78 -3.332 10.821 0.971 1.00 55.24 H new ATOM 1340 N PHE A 79 -1.546 6.308 2.918 1.00 11.31 N ATOM 1341 CA PHE A 79 -0.675 5.480 3.756 1.00 75.34 C ATOM 1342 C PHE A 79 0.086 4.509 2.842 1.00 3.43 C ATOM 1343 O PHE A 79 -0.486 3.972 1.902 1.00 14.14 O ATOM 1344 CB PHE A 79 -1.536 4.725 4.818 1.00 74.25 C ATOM 1345 CG PHE A 79 -0.759 4.088 5.986 1.00 24.50 C ATOM 1346 CD1 PHE A 79 -0.023 2.912 5.816 1.00 74.30 C ATOM 1347 CD2 PHE A 79 -0.786 4.661 7.262 1.00 45.23 C ATOM 1348 CE1 PHE A 79 0.649 2.332 6.870 1.00 64.24 C ATOM 1349 CE2 PHE A 79 -0.112 4.080 8.317 1.00 24.04 C ATOM 1350 CZ PHE A 79 0.608 2.918 8.120 1.00 51.30 C ATOM 0 H PHE A 79 -2.244 5.769 2.406 1.00 11.31 H new ATOM 0 HA PHE A 79 0.047 6.092 4.297 1.00 75.34 H new ATOM 0 HB2 PHE A 79 -2.264 5.424 5.230 1.00 74.25 H new ATOM 0 HB3 PHE A 79 -2.098 3.941 4.311 1.00 74.25 H new ATOM 0 HD1 PHE A 79 0.020 2.450 4.841 1.00 74.30 H new ATOM 0 HD2 PHE A 79 -1.343 5.572 7.424 1.00 45.23 H new ATOM 0 HE1 PHE A 79 1.207 1.420 6.719 1.00 64.24 H new ATOM 0 HE2 PHE A 79 -0.148 4.534 9.296 1.00 24.04 H new ATOM 0 HZ PHE A 79 1.140 2.467 8.945 1.00 51.30 H new ATOM 1360 N LEU A 80 1.366 4.299 3.136 1.00 51.13 N ATOM 1361 CA LEU A 80 2.258 3.418 2.374 1.00 4.30 C ATOM 1362 C LEU A 80 3.072 2.582 3.371 1.00 13.11 C ATOM 1363 O LEU A 80 3.392 3.046 4.466 1.00 31.42 O ATOM 1364 CB LEU A 80 3.172 4.264 1.428 1.00 34.14 C ATOM 1365 CG LEU A 80 4.251 3.500 0.570 1.00 44.13 C ATOM 1366 CD1 LEU A 80 3.624 2.414 -0.321 1.00 43.21 C ATOM 1367 CD2 LEU A 80 5.088 4.483 -0.283 1.00 45.24 C ATOM 0 H LEU A 80 1.827 4.746 3.929 1.00 51.13 H new ATOM 0 HA LEU A 80 1.686 2.744 1.737 1.00 4.30 H new ATOM 0 HB2 LEU A 80 2.527 4.813 0.742 1.00 34.14 H new ATOM 0 HB3 LEU A 80 3.691 5.003 2.038 1.00 34.14 H new ATOM 0 HG LEU A 80 4.915 3.001 1.276 1.00 44.13 H new ATOM 0 HD11 LEU A 80 4.407 1.916 -0.893 1.00 43.21 H new ATOM 0 HD12 LEU A 80 3.110 1.683 0.303 1.00 43.21 H new ATOM 0 HD13 LEU A 80 2.911 2.872 -1.006 1.00 43.21 H new ATOM 0 HD21 LEU A 80 5.823 3.926 -0.863 1.00 45.24 H new ATOM 0 HD22 LEU A 80 4.430 5.029 -0.959 1.00 45.24 H new ATOM 0 HD23 LEU A 80 5.601 5.187 0.372 1.00 45.24 H new ATOM 1379 N LEU A 81 3.346 1.339 2.998 1.00 23.35 N ATOM 1380 CA LEU A 81 4.157 0.403 3.770 1.00 34.21 C ATOM 1381 C LEU A 81 4.988 -0.388 2.767 1.00 51.42 C ATOM 1382 O LEU A 81 4.432 -1.141 1.955 1.00 64.22 O ATOM 1383 CB LEU A 81 3.248 -0.534 4.616 1.00 32.51 C ATOM 1384 CG LEU A 81 3.974 -1.653 5.440 1.00 63.22 C ATOM 1385 CD1 LEU A 81 4.985 -1.060 6.437 1.00 31.35 C ATOM 1386 CD2 LEU A 81 2.958 -2.568 6.154 1.00 1.15 C ATOM 0 H LEU A 81 3.001 0.941 2.125 1.00 23.35 H new ATOM 0 HA LEU A 81 4.806 0.927 4.472 1.00 34.21 H new ATOM 0 HB2 LEU A 81 2.673 0.081 5.308 1.00 32.51 H new ATOM 0 HB3 LEU A 81 2.533 -1.012 3.946 1.00 32.51 H new ATOM 0 HG LEU A 81 4.535 -2.264 4.733 1.00 63.22 H new ATOM 0 HD11 LEU A 81 5.467 -1.867 6.989 1.00 31.35 H new ATOM 0 HD12 LEU A 81 5.739 -0.490 5.895 1.00 31.35 H new ATOM 0 HD13 LEU A 81 4.466 -0.403 7.135 1.00 31.35 H new ATOM 0 HD21 LEU A 81 3.491 -3.334 6.717 1.00 1.15 H new ATOM 0 HD22 LEU A 81 2.350 -1.974 6.836 1.00 1.15 H new ATOM 0 HD23 LEU A 81 2.314 -3.044 5.414 1.00 1.15 H new ATOM 1398 N LEU A 82 6.312 -0.197 2.799 1.00 34.40 N ATOM 1399 CA LEU A 82 7.221 -0.795 1.812 1.00 3.04 C ATOM 1400 C LEU A 82 8.219 -1.764 2.483 1.00 21.10 C ATOM 1401 O LEU A 82 8.773 -1.484 3.558 1.00 23.14 O ATOM 1402 CB LEU A 82 7.898 0.327 0.947 1.00 1.33 C ATOM 1403 CG LEU A 82 8.346 1.655 1.673 1.00 74.22 C ATOM 1404 CD1 LEU A 82 9.555 1.455 2.591 1.00 21.43 C ATOM 1405 CD2 LEU A 82 8.626 2.786 0.664 1.00 65.33 C ATOM 0 H LEU A 82 6.782 0.372 3.504 1.00 34.40 H new ATOM 0 HA LEU A 82 6.649 -1.412 1.119 1.00 3.04 H new ATOM 0 HB2 LEU A 82 8.777 -0.105 0.469 1.00 1.33 H new ATOM 0 HB3 LEU A 82 7.204 0.599 0.152 1.00 1.33 H new ATOM 0 HG LEU A 82 7.505 1.946 2.303 1.00 74.22 H new ATOM 0 HD11 LEU A 82 9.815 2.403 3.061 1.00 21.43 H new ATOM 0 HD12 LEU A 82 9.310 0.723 3.361 1.00 21.43 H new ATOM 0 HD13 LEU A 82 10.401 1.096 2.005 1.00 21.43 H new ATOM 0 HD21 LEU A 82 8.932 3.684 1.200 1.00 65.33 H new ATOM 0 HD22 LEU A 82 9.422 2.480 -0.014 1.00 65.33 H new ATOM 0 HD23 LEU A 82 7.722 2.995 0.092 1.00 65.33 H new ATOM 1417 N GLN A 83 8.389 -2.918 1.830 1.00 4.55 N ATOM 1418 CA GLN A 83 9.266 -4.003 2.236 1.00 62.40 C ATOM 1419 C GLN A 83 9.984 -4.527 0.985 1.00 21.30 C ATOM 1420 O GLN A 83 9.387 -4.633 -0.088 1.00 22.23 O ATOM 1421 CB GLN A 83 8.448 -5.134 2.924 1.00 72.12 C ATOM 1422 CG GLN A 83 9.192 -6.478 3.082 1.00 23.42 C ATOM 1423 CD GLN A 83 10.421 -6.425 3.994 1.00 71.13 C ATOM 1424 OE1 GLN A 83 10.449 -5.690 4.969 1.00 22.54 O ATOM 1425 NE2 GLN A 83 11.453 -7.180 3.657 1.00 41.04 N ATOM 0 H GLN A 83 7.892 -3.123 0.963 1.00 4.55 H new ATOM 0 HA GLN A 83 9.999 -3.647 2.959 1.00 62.40 H new ATOM 0 HB2 GLN A 83 8.140 -4.789 3.911 1.00 72.12 H new ATOM 0 HB3 GLN A 83 7.539 -5.305 2.348 1.00 72.12 H new ATOM 0 HG2 GLN A 83 8.496 -7.219 3.475 1.00 23.42 H new ATOM 0 HG3 GLN A 83 9.503 -6.824 2.096 1.00 23.42 H new ATOM 0 HE21 GLN A 83 11.397 -7.783 2.836 1.00 41.04 H new ATOM 0 HE22 GLN A 83 12.305 -7.159 4.218 1.00 41.04 H new ATOM 1434 N ASP A 84 11.267 -4.834 1.146 1.00 72.22 N ATOM 1435 CA ASP A 84 12.117 -5.379 0.082 1.00 64.03 C ATOM 1436 C ASP A 84 13.376 -5.965 0.743 1.00 72.02 C ATOM 1437 O ASP A 84 13.643 -5.687 1.924 1.00 22.44 O ATOM 1438 CB ASP A 84 12.478 -4.262 -0.950 1.00 30.12 C ATOM 1439 CG ASP A 84 12.918 -4.791 -2.322 1.00 31.31 C ATOM 1440 OD1 ASP A 84 12.043 -5.035 -3.172 1.00 4.40 O ATOM 1441 OD2 ASP A 84 14.123 -4.972 -2.553 1.00 51.40 O ATOM 0 H ASP A 84 11.757 -4.711 2.032 1.00 72.22 H new ATOM 0 HA ASP A 84 11.595 -6.162 -0.468 1.00 64.03 H new ATOM 0 HB2 ASP A 84 11.612 -3.613 -1.084 1.00 30.12 H new ATOM 0 HB3 ASP A 84 13.277 -3.646 -0.537 1.00 30.12 H new ATOM 1446 N GLN A 85 14.141 -6.774 0.000 1.00 44.31 N ATOM 1447 CA GLN A 85 15.416 -7.333 0.498 1.00 44.12 C ATOM 1448 C GLN A 85 16.521 -6.249 0.443 1.00 62.11 C ATOM 1449 O GLN A 85 17.493 -6.292 1.202 1.00 4.11 O ATOM 1450 CB GLN A 85 15.813 -8.597 -0.310 1.00 53.54 C ATOM 1451 CG GLN A 85 14.753 -9.727 -0.277 1.00 44.42 C ATOM 1452 CD GLN A 85 15.164 -10.993 -1.038 1.00 21.02 C ATOM 1453 OE1 GLN A 85 15.914 -10.935 -2.009 1.00 73.31 O ATOM 1454 NE2 GLN A 85 14.673 -12.149 -0.605 1.00 25.03 N ATOM 0 H GLN A 85 13.904 -7.060 -0.950 1.00 44.31 H new ATOM 0 HA GLN A 85 15.292 -7.639 1.537 1.00 44.12 H new ATOM 0 HB2 GLN A 85 15.992 -8.311 -1.347 1.00 53.54 H new ATOM 0 HB3 GLN A 85 16.754 -8.984 0.081 1.00 53.54 H new ATOM 0 HG2 GLN A 85 14.550 -9.990 0.761 1.00 44.42 H new ATOM 0 HG3 GLN A 85 13.821 -9.349 -0.698 1.00 44.42 H new ATOM 0 HE21 GLN A 85 14.052 -12.168 0.204 1.00 25.03 H new ATOM 0 HE22 GLN A 85 14.917 -13.017 -1.082 1.00 25.03 H new ATOM 1463 N ASP A 86 16.344 -5.278 -0.469 1.00 4.34 N ATOM 1464 CA ASP A 86 17.197 -4.083 -0.589 1.00 42.54 C ATOM 1465 C ASP A 86 16.532 -2.902 0.142 1.00 5.14 C ATOM 1466 O ASP A 86 15.624 -2.253 -0.399 1.00 11.12 O ATOM 1467 CB ASP A 86 17.423 -3.743 -2.084 1.00 23.35 C ATOM 1468 CG ASP A 86 18.284 -4.785 -2.816 1.00 45.00 C ATOM 1469 OD1 ASP A 86 19.522 -4.768 -2.644 1.00 73.53 O ATOM 1470 OD2 ASP A 86 17.737 -5.618 -3.567 1.00 15.54 O ATOM 0 H ASP A 86 15.590 -5.302 -1.156 1.00 4.34 H new ATOM 0 HA ASP A 86 18.167 -4.279 -0.131 1.00 42.54 H new ATOM 0 HB2 ASP A 86 16.457 -3.664 -2.582 1.00 23.35 H new ATOM 0 HB3 ASP A 86 17.902 -2.767 -2.160 1.00 23.35 H new ATOM 1475 N GLU A 87 16.987 -2.643 1.381 1.00 33.04 N ATOM 1476 CA GLU A 87 16.444 -1.566 2.229 1.00 43.12 C ATOM 1477 C GLU A 87 16.972 -0.174 1.797 1.00 60.01 C ATOM 1478 O GLU A 87 16.337 0.846 2.096 1.00 11.05 O ATOM 1479 CB GLU A 87 16.768 -1.806 3.732 1.00 62.00 C ATOM 1480 CG GLU A 87 16.052 -0.823 4.684 1.00 44.42 C ATOM 1481 CD GLU A 87 16.571 -0.841 6.130 1.00 11.03 C ATOM 1482 OE1 GLU A 87 17.491 -0.064 6.462 1.00 71.21 O ATOM 1483 OE2 GLU A 87 16.033 -1.592 6.953 1.00 70.03 O ATOM 0 H GLU A 87 17.739 -3.172 1.822 1.00 33.04 H new ATOM 0 HA GLU A 87 15.362 -1.582 2.097 1.00 43.12 H new ATOM 0 HB2 GLU A 87 16.487 -2.825 3.997 1.00 62.00 H new ATOM 0 HB3 GLU A 87 17.845 -1.723 3.881 1.00 62.00 H new ATOM 0 HG2 GLU A 87 16.155 0.187 4.287 1.00 44.42 H new ATOM 0 HG3 GLU A 87 14.987 -1.055 4.691 1.00 44.42 H new ATOM 1490 N ASN A 88 18.127 -0.133 1.092 1.00 12.33 N ATOM 1491 CA ASN A 88 18.716 1.140 0.605 1.00 12.13 C ATOM 1492 C ASN A 88 17.746 1.831 -0.373 1.00 31.54 C ATOM 1493 O ASN A 88 17.527 3.046 -0.292 1.00 42.15 O ATOM 1494 CB ASN A 88 20.093 0.914 -0.088 1.00 74.51 C ATOM 1495 CG ASN A 88 21.193 0.304 0.797 1.00 2.41 C ATOM 1496 OD1 ASN A 88 22.068 -0.400 0.304 1.00 32.10 O ATOM 1497 ND2 ASN A 88 21.181 0.562 2.091 1.00 73.51 N ATOM 0 H ASN A 88 18.669 -0.962 0.848 1.00 12.33 H new ATOM 0 HA ASN A 88 18.880 1.779 1.472 1.00 12.13 H new ATOM 0 HB2 ASN A 88 19.943 0.263 -0.950 1.00 74.51 H new ATOM 0 HB3 ASN A 88 20.448 1.871 -0.470 1.00 74.51 H new ATOM 0 HD21 ASN A 88 21.906 0.174 2.695 1.00 73.51 H new ATOM 0 HD22 ASN A 88 20.447 1.149 2.487 1.00 73.51 H new ATOM 1504 N GLU A 89 17.138 1.020 -1.264 1.00 50.23 N ATOM 1505 CA GLU A 89 16.126 1.493 -2.229 1.00 31.12 C ATOM 1506 C GLU A 89 14.804 1.849 -1.517 1.00 12.42 C ATOM 1507 O GLU A 89 14.079 2.739 -1.973 1.00 33.43 O ATOM 1508 CB GLU A 89 15.875 0.450 -3.367 1.00 51.45 C ATOM 1509 CG GLU A 89 17.033 0.301 -4.404 1.00 32.00 C ATOM 1510 CD GLU A 89 18.149 -0.692 -4.005 1.00 64.33 C ATOM 1511 OE1 GLU A 89 18.890 -0.425 -3.037 1.00 62.24 O ATOM 1512 OE2 GLU A 89 18.308 -1.735 -4.675 1.00 41.24 O ATOM 0 H GLU A 89 17.335 0.022 -1.334 1.00 50.23 H new ATOM 0 HA GLU A 89 16.522 2.397 -2.692 1.00 31.12 H new ATOM 0 HB2 GLU A 89 15.690 -0.523 -2.911 1.00 51.45 H new ATOM 0 HB3 GLU A 89 14.966 0.730 -3.900 1.00 51.45 H new ATOM 0 HG2 GLU A 89 16.608 -0.018 -5.356 1.00 32.00 H new ATOM 0 HG3 GLU A 89 17.482 1.281 -4.567 1.00 32.00 H new ATOM 1519 N LEU A 90 14.501 1.152 -0.397 1.00 44.54 N ATOM 1520 CA LEU A 90 13.297 1.429 0.413 1.00 1.35 C ATOM 1521 C LEU A 90 13.352 2.826 1.040 1.00 63.13 C ATOM 1522 O LEU A 90 12.388 3.573 0.932 1.00 21.04 O ATOM 1523 CB LEU A 90 13.101 0.380 1.541 1.00 35.21 C ATOM 1524 CG LEU A 90 12.688 -1.051 1.104 1.00 20.12 C ATOM 1525 CD1 LEU A 90 12.528 -1.978 2.332 1.00 11.52 C ATOM 1526 CD2 LEU A 90 11.402 -1.020 0.246 1.00 64.55 C ATOM 0 H LEU A 90 15.077 0.392 -0.035 1.00 44.54 H new ATOM 0 HA LEU A 90 12.451 1.372 -0.272 1.00 1.35 H new ATOM 0 HB2 LEU A 90 14.032 0.308 2.103 1.00 35.21 H new ATOM 0 HB3 LEU A 90 12.343 0.757 2.227 1.00 35.21 H new ATOM 0 HG LEU A 90 13.486 -1.460 0.483 1.00 20.12 H new ATOM 0 HD11 LEU A 90 12.238 -2.975 2.000 1.00 11.52 H new ATOM 0 HD12 LEU A 90 13.474 -2.035 2.870 1.00 11.52 H new ATOM 0 HD13 LEU A 90 11.759 -1.578 2.992 1.00 11.52 H new ATOM 0 HD21 LEU A 90 11.135 -2.036 -0.047 1.00 64.55 H new ATOM 0 HD22 LEU A 90 10.588 -0.584 0.825 1.00 64.55 H new ATOM 0 HD23 LEU A 90 11.575 -0.419 -0.647 1.00 64.55 H new ATOM 1538 N GLU A 91 14.486 3.161 1.691 1.00 64.33 N ATOM 1539 CA GLU A 91 14.608 4.382 2.512 1.00 62.13 C ATOM 1540 C GLU A 91 14.821 5.643 1.648 1.00 12.04 C ATOM 1541 O GLU A 91 14.387 6.732 2.041 1.00 31.42 O ATOM 1542 CB GLU A 91 15.746 4.246 3.558 1.00 72.34 C ATOM 1543 CG GLU A 91 17.164 4.144 2.963 1.00 13.00 C ATOM 1544 CD GLU A 91 18.263 4.223 4.032 1.00 61.42 C ATOM 1545 OE1 GLU A 91 18.514 5.332 4.552 1.00 2.04 O ATOM 1546 OE2 GLU A 91 18.883 3.191 4.356 1.00 25.12 O ATOM 0 H GLU A 91 15.336 2.597 1.662 1.00 64.33 H new ATOM 0 HA GLU A 91 13.662 4.499 3.042 1.00 62.13 H new ATOM 0 HB2 GLU A 91 15.709 5.105 4.227 1.00 72.34 H new ATOM 0 HB3 GLU A 91 15.558 3.361 4.165 1.00 72.34 H new ATOM 0 HG2 GLU A 91 17.259 3.204 2.420 1.00 13.00 H new ATOM 0 HG3 GLU A 91 17.308 4.946 2.240 1.00 13.00 H new ATOM 1553 N GLU A 92 15.488 5.498 0.474 1.00 41.11 N ATOM 1554 CA GLU A 92 15.712 6.632 -0.449 1.00 70.31 C ATOM 1555 C GLU A 92 14.382 7.040 -1.101 1.00 11.11 C ATOM 1556 O GLU A 92 14.133 8.223 -1.345 1.00 3.40 O ATOM 1557 CB GLU A 92 16.813 6.302 -1.509 1.00 62.30 C ATOM 1558 CG GLU A 92 16.466 5.224 -2.588 1.00 52.20 C ATOM 1559 CD GLU A 92 15.802 5.780 -3.871 1.00 23.43 C ATOM 1560 OE1 GLU A 92 16.463 6.544 -4.600 1.00 10.33 O ATOM 1561 OE2 GLU A 92 14.628 5.459 -4.158 1.00 33.53 O ATOM 0 H GLU A 92 15.876 4.612 0.149 1.00 41.11 H new ATOM 0 HA GLU A 92 16.086 7.482 0.122 1.00 70.31 H new ATOM 0 HB2 GLU A 92 17.072 7.226 -2.026 1.00 62.30 H new ATOM 0 HB3 GLU A 92 17.706 5.973 -0.977 1.00 62.30 H new ATOM 0 HG2 GLU A 92 17.381 4.701 -2.867 1.00 52.20 H new ATOM 0 HG3 GLU A 92 15.800 4.485 -2.142 1.00 52.20 H new ATOM 1568 N PHE A 93 13.540 6.036 -1.384 1.00 64.25 N ATOM 1569 CA PHE A 93 12.174 6.238 -1.876 1.00 10.24 C ATOM 1570 C PHE A 93 11.299 6.824 -0.754 1.00 74.54 C ATOM 1571 O PHE A 93 10.626 7.834 -0.958 1.00 34.12 O ATOM 1572 CB PHE A 93 11.635 4.880 -2.405 1.00 42.55 C ATOM 1573 CG PHE A 93 10.242 4.913 -3.039 1.00 25.21 C ATOM 1574 CD1 PHE A 93 9.966 5.714 -4.148 1.00 22.10 C ATOM 1575 CD2 PHE A 93 9.215 4.127 -2.525 1.00 55.41 C ATOM 1576 CE1 PHE A 93 8.700 5.733 -4.706 1.00 22.22 C ATOM 1577 CE2 PHE A 93 7.958 4.148 -3.076 1.00 54.03 C ATOM 1578 CZ PHE A 93 7.696 4.946 -4.170 1.00 30.54 C ATOM 0 H PHE A 93 13.792 5.054 -1.276 1.00 64.25 H new ATOM 0 HA PHE A 93 12.155 6.954 -2.698 1.00 10.24 H new ATOM 0 HB2 PHE A 93 12.339 4.494 -3.142 1.00 42.55 H new ATOM 0 HB3 PHE A 93 11.619 4.171 -1.578 1.00 42.55 H new ATOM 0 HD1 PHE A 93 10.748 6.325 -4.575 1.00 22.10 H new ATOM 0 HD2 PHE A 93 9.411 3.488 -1.676 1.00 55.41 H new ATOM 0 HE1 PHE A 93 8.495 6.362 -5.560 1.00 22.22 H new ATOM 0 HE2 PHE A 93 7.173 3.539 -2.652 1.00 54.03 H new ATOM 0 HZ PHE A 93 6.709 4.957 -4.608 1.00 30.54 H new ATOM 1588 N LYS A 94 11.404 6.221 0.450 1.00 22.22 N ATOM 1589 CA LYS A 94 10.601 6.571 1.641 1.00 44.10 C ATOM 1590 C LYS A 94 10.728 8.064 1.996 1.00 74.30 C ATOM 1591 O LYS A 94 9.724 8.737 2.192 1.00 35.32 O ATOM 1592 CB LYS A 94 11.057 5.726 2.865 1.00 35.21 C ATOM 1593 CG LYS A 94 10.214 5.931 4.149 1.00 35.11 C ATOM 1594 CD LYS A 94 10.972 5.620 5.456 1.00 63.55 C ATOM 1595 CE LYS A 94 12.193 6.543 5.672 1.00 52.52 C ATOM 1596 NZ LYS A 94 12.664 6.529 7.076 1.00 65.33 N ATOM 0 H LYS A 94 12.063 5.462 0.624 1.00 22.22 H new ATOM 0 HA LYS A 94 9.560 6.356 1.401 1.00 44.10 H new ATOM 0 HB2 LYS A 94 11.026 4.671 2.592 1.00 35.21 H new ATOM 0 HB3 LYS A 94 12.096 5.967 3.088 1.00 35.21 H new ATOM 0 HG2 LYS A 94 9.865 6.963 4.181 1.00 35.11 H new ATOM 0 HG3 LYS A 94 9.329 5.297 4.095 1.00 35.11 H new ATOM 0 HD2 LYS A 94 10.290 5.723 6.300 1.00 63.55 H new ATOM 0 HD3 LYS A 94 11.305 4.582 5.440 1.00 63.55 H new ATOM 0 HE2 LYS A 94 13.004 6.229 5.015 1.00 52.52 H new ATOM 0 HE3 LYS A 94 11.930 7.562 5.389 1.00 52.52 H new ATOM 0 HZ1 LYS A 94 13.484 7.162 7.174 1.00 65.33 H new ATOM 0 HZ2 LYS A 94 11.899 6.854 7.702 1.00 65.33 H new ATOM 0 HZ3 LYS A 94 12.940 5.562 7.340 1.00 65.33 H new ATOM 1610 N ARG A 95 11.983 8.558 2.061 1.00 53.13 N ATOM 1611 CA ARG A 95 12.300 9.945 2.470 1.00 45.43 C ATOM 1612 C ARG A 95 11.649 10.981 1.530 1.00 41.54 C ATOM 1613 O ARG A 95 11.239 12.055 1.981 1.00 44.51 O ATOM 1614 CB ARG A 95 13.840 10.162 2.543 1.00 61.01 C ATOM 1615 CG ARG A 95 14.576 10.132 1.188 1.00 33.25 C ATOM 1616 CD ARG A 95 16.104 10.209 1.328 1.00 72.02 C ATOM 1617 NE ARG A 95 16.657 9.032 2.034 1.00 60.15 N ATOM 1618 CZ ARG A 95 17.898 8.546 1.879 1.00 4.12 C ATOM 1619 NH1 ARG A 95 18.760 9.114 1.038 1.00 13.55 N ATOM 1620 NH2 ARG A 95 18.269 7.478 2.561 1.00 4.03 N ATOM 0 H ARG A 95 12.808 8.005 1.831 1.00 53.13 H new ATOM 0 HA ARG A 95 11.881 10.095 3.465 1.00 45.43 H new ATOM 0 HB2 ARG A 95 14.032 11.123 3.021 1.00 61.01 H new ATOM 0 HB3 ARG A 95 14.268 9.394 3.187 1.00 61.01 H new ATOM 0 HG2 ARG A 95 14.312 9.217 0.658 1.00 33.25 H new ATOM 0 HG3 ARG A 95 14.231 10.965 0.576 1.00 33.25 H new ATOM 0 HD2 ARG A 95 16.555 10.283 0.339 1.00 72.02 H new ATOM 0 HD3 ARG A 95 16.373 11.116 1.870 1.00 72.02 H new ATOM 0 HE ARG A 95 16.045 8.551 2.692 1.00 60.15 H new ATOM 0 HH11 ARG A 95 18.481 9.933 0.498 1.00 13.55 H new ATOM 0 HH12 ARG A 95 19.699 8.730 0.934 1.00 13.55 H new ATOM 0 HH21 ARG A 95 17.614 7.028 3.200 1.00 4.03 H new ATOM 0 HH22 ARG A 95 19.211 7.103 2.448 1.00 4.03 H new ATOM 1634 N LYS A 96 11.544 10.630 0.228 1.00 2.44 N ATOM 1635 CA LYS A 96 10.899 11.478 -0.784 1.00 2.22 C ATOM 1636 C LYS A 96 9.383 11.534 -0.538 1.00 13.31 C ATOM 1637 O LYS A 96 8.769 12.598 -0.605 1.00 24.11 O ATOM 1638 CB LYS A 96 11.193 10.955 -2.217 1.00 15.31 C ATOM 1639 CG LYS A 96 12.683 11.014 -2.633 1.00 5.13 C ATOM 1640 CD LYS A 96 12.889 10.729 -4.139 1.00 1.21 C ATOM 1641 CE LYS A 96 12.564 9.272 -4.549 1.00 62.24 C ATOM 1642 NZ LYS A 96 13.651 8.327 -4.175 1.00 4.20 N ATOM 0 H LYS A 96 11.905 9.752 -0.144 1.00 2.44 H new ATOM 0 HA LYS A 96 11.310 12.484 -0.700 1.00 2.22 H new ATOM 0 HB2 LYS A 96 10.850 9.923 -2.290 1.00 15.31 H new ATOM 0 HB3 LYS A 96 10.608 11.537 -2.929 1.00 15.31 H new ATOM 0 HG2 LYS A 96 13.085 11.999 -2.395 1.00 5.13 H new ATOM 0 HG3 LYS A 96 13.249 10.289 -2.048 1.00 5.13 H new ATOM 0 HD2 LYS A 96 12.262 11.408 -4.717 1.00 1.21 H new ATOM 0 HD3 LYS A 96 13.924 10.949 -4.403 1.00 1.21 H new ATOM 0 HE2 LYS A 96 11.634 8.961 -4.072 1.00 62.24 H new ATOM 0 HE3 LYS A 96 12.400 9.227 -5.626 1.00 62.24 H new ATOM 0 HZ1 LYS A 96 13.361 7.355 -4.407 1.00 4.20 H new ATOM 0 HZ2 LYS A 96 14.515 8.566 -4.702 1.00 4.20 H new ATOM 0 HZ3 LYS A 96 13.837 8.398 -3.154 1.00 4.20 H new ATOM 1656 N ILE A 97 8.814 10.363 -0.217 1.00 43.41 N ATOM 1657 CA ILE A 97 7.371 10.196 0.033 1.00 54.24 C ATOM 1658 C ILE A 97 6.949 10.973 1.319 1.00 54.40 C ATOM 1659 O ILE A 97 5.876 11.588 1.358 1.00 42.44 O ATOM 1660 CB ILE A 97 7.016 8.651 0.110 1.00 74.31 C ATOM 1661 CG1 ILE A 97 7.494 7.893 -1.183 1.00 10.11 C ATOM 1662 CG2 ILE A 97 5.517 8.404 0.351 1.00 23.34 C ATOM 1663 CD1 ILE A 97 7.012 8.481 -2.500 1.00 74.25 C ATOM 0 H ILE A 97 9.345 9.497 -0.122 1.00 43.41 H new ATOM 0 HA ILE A 97 6.801 10.622 -0.793 1.00 54.24 H new ATOM 0 HB ILE A 97 7.554 8.252 0.970 1.00 74.31 H new ATOM 0 HG12 ILE A 97 8.584 7.874 -1.190 1.00 10.11 H new ATOM 0 HG13 ILE A 97 7.158 6.858 -1.122 1.00 10.11 H new ATOM 0 HG21 ILE A 97 5.327 7.332 0.395 1.00 23.34 H new ATOM 0 HG22 ILE A 97 5.219 8.864 1.293 1.00 23.34 H new ATOM 0 HG23 ILE A 97 4.941 8.841 -0.464 1.00 23.34 H new ATOM 0 HD11 ILE A 97 7.397 7.885 -3.327 1.00 74.25 H new ATOM 0 HD12 ILE A 97 5.922 8.474 -2.524 1.00 74.25 H new ATOM 0 HD13 ILE A 97 7.371 9.506 -2.594 1.00 74.25 H new ATOM 1675 N GLU A 98 7.837 10.970 2.346 1.00 64.21 N ATOM 1676 CA GLU A 98 7.679 11.785 3.577 1.00 31.24 C ATOM 1677 C GLU A 98 7.768 13.292 3.263 1.00 4.32 C ATOM 1678 O GLU A 98 7.035 14.099 3.840 1.00 73.41 O ATOM 1679 CB GLU A 98 8.764 11.427 4.632 1.00 72.05 C ATOM 1680 CG GLU A 98 8.747 9.967 5.100 1.00 42.25 C ATOM 1681 CD GLU A 98 9.828 9.648 6.143 1.00 45.12 C ATOM 1682 OE1 GLU A 98 11.032 9.709 5.801 1.00 21.02 O ATOM 1683 OE2 GLU A 98 9.485 9.343 7.306 1.00 12.21 O ATOM 0 H GLU A 98 8.684 10.401 2.343 1.00 64.21 H new ATOM 0 HA GLU A 98 6.693 11.558 3.982 1.00 31.24 H new ATOM 0 HB2 GLU A 98 9.746 11.648 4.213 1.00 72.05 H new ATOM 0 HB3 GLU A 98 8.635 12.074 5.500 1.00 72.05 H new ATOM 0 HG2 GLU A 98 7.768 9.740 5.521 1.00 42.25 H new ATOM 0 HG3 GLU A 98 8.882 9.315 4.237 1.00 42.25 H new ATOM 1690 N SER A 99 8.678 13.647 2.329 1.00 13.23 N ATOM 1691 CA SER A 99 8.933 15.046 1.914 1.00 21.14 C ATOM 1692 C SER A 99 7.734 15.630 1.124 1.00 44.11 C ATOM 1693 O SER A 99 7.601 16.852 0.986 1.00 50.42 O ATOM 1694 CB SER A 99 10.235 15.089 1.073 1.00 23.44 C ATOM 1695 OG SER A 99 10.612 16.407 0.729 1.00 14.00 O ATOM 0 H SER A 99 9.260 12.968 1.839 1.00 13.23 H new ATOM 0 HA SER A 99 9.055 15.667 2.802 1.00 21.14 H new ATOM 0 HB2 SER A 99 11.042 14.618 1.634 1.00 23.44 H new ATOM 0 HB3 SER A 99 10.096 14.505 0.163 1.00 23.44 H new ATOM 0 HG SER A 99 11.438 16.384 0.201 1.00 14.00 H new ATOM 1701 N GLN A 100 6.864 14.735 0.617 1.00 32.11 N ATOM 1702 CA GLN A 100 5.620 15.100 -0.100 1.00 61.33 C ATOM 1703 C GLN A 100 4.392 15.057 0.841 1.00 5.14 C ATOM 1704 O GLN A 100 3.271 15.363 0.422 1.00 63.03 O ATOM 1705 CB GLN A 100 5.441 14.125 -1.283 1.00 71.25 C ATOM 1706 CG GLN A 100 6.597 14.170 -2.306 1.00 23.32 C ATOM 1707 CD GLN A 100 6.591 12.996 -3.281 1.00 5.41 C ATOM 1708 OE1 GLN A 100 5.536 12.459 -3.610 1.00 73.14 O ATOM 1709 NE2 GLN A 100 7.767 12.582 -3.733 1.00 53.50 N ATOM 0 H GLN A 100 7.004 13.727 0.693 1.00 32.11 H new ATOM 0 HA GLN A 100 5.699 16.123 -0.468 1.00 61.33 H new ATOM 0 HB2 GLN A 100 5.350 13.110 -0.895 1.00 71.25 H new ATOM 0 HB3 GLN A 100 4.506 14.356 -1.794 1.00 71.25 H new ATOM 0 HG2 GLN A 100 6.537 15.101 -2.870 1.00 23.32 H new ATOM 0 HG3 GLN A 100 7.546 14.182 -1.770 1.00 23.32 H new ATOM 0 HE21 GLN A 100 8.622 13.053 -3.437 1.00 53.50 H new ATOM 0 HE22 GLN A 100 7.817 11.792 -4.377 1.00 53.50 H new ATOM 1718 N GLY A 101 4.620 14.658 2.106 1.00 43.45 N ATOM 1719 CA GLY A 101 3.583 14.686 3.147 1.00 24.32 C ATOM 1720 C GLY A 101 2.739 13.417 3.226 1.00 53.31 C ATOM 1721 O GLY A 101 1.734 13.390 3.946 1.00 51.05 O ATOM 0 H GLY A 101 5.522 14.310 2.431 1.00 43.45 H new ATOM 0 HA2 GLY A 101 4.059 14.853 4.113 1.00 24.32 H new ATOM 0 HA3 GLY A 101 2.925 15.536 2.965 1.00 24.32 H new ATOM 1725 N TYR A 102 3.138 12.364 2.489 1.00 70.12 N ATOM 1726 CA TYR A 102 2.455 11.051 2.525 1.00 24.43 C ATOM 1727 C TYR A 102 2.994 10.219 3.702 1.00 1.22 C ATOM 1728 O TYR A 102 4.214 10.159 3.914 1.00 24.01 O ATOM 1729 CB TYR A 102 2.684 10.259 1.212 1.00 73.22 C ATOM 1730 CG TYR A 102 2.273 10.955 -0.090 1.00 1.45 C ATOM 1731 CD1 TYR A 102 1.026 11.557 -0.218 1.00 63.24 C ATOM 1732 CD2 TYR A 102 3.122 10.973 -1.204 1.00 2.15 C ATOM 1733 CE1 TYR A 102 0.637 12.152 -1.393 1.00 61.10 C ATOM 1734 CE2 TYR A 102 2.739 11.573 -2.380 1.00 53.33 C ATOM 1735 CZ TYR A 102 1.495 12.161 -2.469 1.00 63.22 C ATOM 1736 OH TYR A 102 1.106 12.759 -3.644 1.00 43.13 O ATOM 0 H TYR A 102 3.937 12.395 1.855 1.00 70.12 H new ATOM 0 HA TYR A 102 1.387 11.234 2.643 1.00 24.43 H new ATOM 0 HB2 TYR A 102 3.743 10.009 1.145 1.00 73.22 H new ATOM 0 HB3 TYR A 102 2.138 9.318 1.282 1.00 73.22 H new ATOM 0 HD1 TYR A 102 0.350 11.557 0.624 1.00 63.24 H new ATOM 0 HD2 TYR A 102 4.094 10.507 -1.138 1.00 2.15 H new ATOM 0 HE1 TYR A 102 -0.338 12.611 -1.472 1.00 61.10 H new ATOM 0 HE2 TYR A 102 3.408 11.584 -3.228 1.00 53.33 H new ATOM 0 HH TYR A 102 1.807 13.374 -3.946 1.00 43.13 H new ATOM 1746 N GLU A 103 2.086 9.566 4.442 1.00 34.15 N ATOM 1747 CA GLU A 103 2.440 8.712 5.585 1.00 74.23 C ATOM 1748 C GLU A 103 2.986 7.371 5.069 1.00 32.34 C ATOM 1749 O GLU A 103 2.225 6.535 4.602 1.00 71.20 O ATOM 1750 CB GLU A 103 1.195 8.494 6.494 1.00 32.34 C ATOM 1751 CG GLU A 103 1.424 7.577 7.724 1.00 64.13 C ATOM 1752 CD GLU A 103 2.456 8.123 8.728 1.00 1.25 C ATOM 1753 OE1 GLU A 103 2.084 8.959 9.583 1.00 52.32 O ATOM 1754 OE2 GLU A 103 3.640 7.715 8.678 1.00 42.10 O ATOM 0 H GLU A 103 1.083 9.616 4.264 1.00 34.15 H new ATOM 0 HA GLU A 103 3.212 9.198 6.181 1.00 74.23 H new ATOM 0 HB2 GLU A 103 0.848 9.466 6.846 1.00 32.34 H new ATOM 0 HB3 GLU A 103 0.394 8.069 5.889 1.00 32.34 H new ATOM 0 HG2 GLU A 103 0.474 7.432 8.238 1.00 64.13 H new ATOM 0 HG3 GLU A 103 1.752 6.597 7.378 1.00 64.13 H new ATOM 1761 N VAL A 104 4.311 7.203 5.103 1.00 25.32 N ATOM 1762 CA VAL A 104 4.980 5.956 4.693 1.00 72.33 C ATOM 1763 C VAL A 104 5.749 5.347 5.877 1.00 60.42 C ATOM 1764 O VAL A 104 6.387 6.063 6.664 1.00 44.34 O ATOM 1765 CB VAL A 104 5.940 6.191 3.462 1.00 21.21 C ATOM 1766 CG1 VAL A 104 6.905 7.366 3.706 1.00 54.04 C ATOM 1767 CG2 VAL A 104 6.716 4.901 3.080 1.00 3.21 C ATOM 0 H VAL A 104 4.956 7.928 5.416 1.00 25.32 H new ATOM 0 HA VAL A 104 4.211 5.251 4.377 1.00 72.33 H new ATOM 0 HB VAL A 104 5.306 6.456 2.615 1.00 21.21 H new ATOM 0 HG11 VAL A 104 7.549 7.495 2.836 1.00 54.04 H new ATOM 0 HG12 VAL A 104 6.332 8.278 3.872 1.00 54.04 H new ATOM 0 HG13 VAL A 104 7.518 7.157 4.583 1.00 54.04 H new ATOM 0 HG21 VAL A 104 7.365 5.106 2.229 1.00 3.21 H new ATOM 0 HG22 VAL A 104 7.320 4.575 3.927 1.00 3.21 H new ATOM 0 HG23 VAL A 104 6.008 4.115 2.816 1.00 3.21 H new ATOM 1777 N ARG A 105 5.643 4.014 6.008 1.00 40.52 N ATOM 1778 CA ARG A 105 6.376 3.221 6.994 1.00 64.45 C ATOM 1779 C ARG A 105 7.349 2.307 6.237 1.00 34.43 C ATOM 1780 O ARG A 105 7.030 1.819 5.136 1.00 4.04 O ATOM 1781 CB ARG A 105 5.418 2.348 7.864 1.00 50.40 C ATOM 1782 CG ARG A 105 4.191 3.068 8.492 1.00 13.43 C ATOM 1783 CD ARG A 105 4.526 4.418 9.157 1.00 5.23 C ATOM 1784 NE ARG A 105 5.727 4.354 10.012 1.00 11.13 N ATOM 1785 CZ ARG A 105 6.478 5.408 10.360 1.00 23.34 C ATOM 1786 NH1 ARG A 105 6.172 6.632 9.947 1.00 63.51 N ATOM 1787 NH2 ARG A 105 7.538 5.228 11.131 1.00 65.03 N ATOM 0 H ARG A 105 5.031 3.451 5.417 1.00 40.52 H new ATOM 0 HA ARG A 105 6.906 3.896 7.666 1.00 64.45 H new ATOM 0 HB2 ARG A 105 5.052 1.528 7.247 1.00 50.40 H new ATOM 0 HB3 ARG A 105 6.001 1.904 8.671 1.00 50.40 H new ATOM 0 HG2 ARG A 105 3.444 3.233 7.716 1.00 13.43 H new ATOM 0 HG3 ARG A 105 3.739 2.411 9.235 1.00 13.43 H new ATOM 0 HD2 ARG A 105 4.676 5.171 8.383 1.00 5.23 H new ATOM 0 HD3 ARG A 105 3.676 4.743 9.757 1.00 5.23 H new ATOM 0 HE ARG A 105 6.007 3.439 10.365 1.00 11.13 H new ATOM 0 HH11 ARG A 105 5.354 6.781 9.356 1.00 63.51 H new ATOM 0 HH12 ARG A 105 6.754 7.423 10.221 1.00 63.51 H new ATOM 0 HH21 ARG A 105 7.779 4.292 11.456 1.00 65.03 H new ATOM 0 HH22 ARG A 105 8.114 6.025 11.400 1.00 65.03 H new ATOM 1801 N LYS A 106 8.519 2.070 6.829 1.00 20.01 N ATOM 1802 CA LYS A 106 9.513 1.142 6.278 1.00 45.14 C ATOM 1803 C LYS A 106 9.714 -0.018 7.252 1.00 64.32 C ATOM 1804 O LYS A 106 9.848 0.194 8.463 1.00 41.10 O ATOM 1805 CB LYS A 106 10.861 1.852 6.028 1.00 75.32 C ATOM 1806 CG LYS A 106 11.921 0.960 5.330 1.00 22.02 C ATOM 1807 CD LYS A 106 13.332 1.572 5.331 1.00 4.54 C ATOM 1808 CE LYS A 106 13.890 1.728 6.757 1.00 64.50 C ATOM 1809 NZ LYS A 106 13.850 0.447 7.529 1.00 54.43 N ATOM 0 H LYS A 106 8.807 2.513 7.702 1.00 20.01 H new ATOM 0 HA LYS A 106 9.146 0.768 5.322 1.00 45.14 H new ATOM 0 HB2 LYS A 106 10.686 2.737 5.417 1.00 75.32 H new ATOM 0 HB3 LYS A 106 11.261 2.197 6.981 1.00 75.32 H new ATOM 0 HG2 LYS A 106 11.953 -0.009 5.827 1.00 22.02 H new ATOM 0 HG3 LYS A 106 11.612 0.780 4.300 1.00 22.02 H new ATOM 0 HD2 LYS A 106 14.002 0.941 4.746 1.00 4.54 H new ATOM 0 HD3 LYS A 106 13.305 2.546 4.843 1.00 4.54 H new ATOM 0 HE2 LYS A 106 14.918 2.085 6.705 1.00 64.50 H new ATOM 0 HE3 LYS A 106 13.315 2.487 7.288 1.00 64.50 H new ATOM 0 HZ1 LYS A 106 14.567 0.473 8.282 1.00 54.43 H new ATOM 0 HZ2 LYS A 106 12.908 0.326 7.952 1.00 54.43 H new ATOM 0 HZ3 LYS A 106 14.048 -0.350 6.890 1.00 54.43 H new ATOM 1823 N VAL A 107 9.753 -1.238 6.708 1.00 20.22 N ATOM 1824 CA VAL A 107 10.013 -2.468 7.468 1.00 50.22 C ATOM 1825 C VAL A 107 11.213 -3.203 6.839 1.00 1.33 C ATOM 1826 O VAL A 107 11.584 -2.937 5.684 1.00 34.55 O ATOM 1827 CB VAL A 107 8.733 -3.389 7.524 1.00 41.54 C ATOM 1828 CG1 VAL A 107 7.626 -2.752 8.384 1.00 62.23 C ATOM 1829 CG2 VAL A 107 8.184 -3.695 6.121 1.00 34.42 C ATOM 0 H VAL A 107 9.603 -1.403 5.713 1.00 20.22 H new ATOM 0 HA VAL A 107 10.256 -2.209 8.499 1.00 50.22 H new ATOM 0 HB VAL A 107 9.044 -4.328 7.982 1.00 41.54 H new ATOM 0 HG11 VAL A 107 6.757 -3.410 8.404 1.00 62.23 H new ATOM 0 HG12 VAL A 107 7.993 -2.605 9.400 1.00 62.23 H new ATOM 0 HG13 VAL A 107 7.343 -1.789 7.958 1.00 62.23 H new ATOM 0 HG21 VAL A 107 7.303 -4.332 6.206 1.00 34.42 H new ATOM 0 HG22 VAL A 107 7.912 -2.763 5.626 1.00 34.42 H new ATOM 0 HG23 VAL A 107 8.947 -4.208 5.535 1.00 34.42 H new ATOM 1839 N THR A 108 11.831 -4.103 7.616 1.00 74.52 N ATOM 1840 CA THR A 108 13.044 -4.839 7.206 1.00 0.23 C ATOM 1841 C THR A 108 12.759 -6.358 7.139 1.00 41.33 C ATOM 1842 O THR A 108 13.612 -7.147 6.707 1.00 64.34 O ATOM 1843 CB THR A 108 14.203 -4.546 8.231 1.00 64.44 C ATOM 1844 OG1 THR A 108 14.187 -3.151 8.587 1.00 25.32 O ATOM 1845 CG2 THR A 108 15.594 -4.893 7.672 1.00 62.33 C ATOM 0 H THR A 108 11.505 -4.345 8.552 1.00 74.52 H new ATOM 0 HA THR A 108 13.346 -4.505 6.213 1.00 0.23 H new ATOM 0 HB THR A 108 14.025 -5.178 9.101 1.00 64.44 H new ATOM 0 HG1 THR A 108 14.818 -2.661 8.020 1.00 25.32 H new ATOM 0 HG21 THR A 108 16.353 -4.670 8.422 1.00 62.33 H new ATOM 0 HG22 THR A 108 15.631 -5.953 7.421 1.00 62.33 H new ATOM 0 HG23 THR A 108 15.784 -4.302 6.776 1.00 62.33 H new ATOM 1853 N ASP A 109 11.530 -6.766 7.534 1.00 64.24 N ATOM 1854 CA ASP A 109 11.185 -8.192 7.679 1.00 62.43 C ATOM 1855 C ASP A 109 9.695 -8.463 7.375 1.00 72.14 C ATOM 1856 O ASP A 109 8.851 -7.552 7.408 1.00 0.05 O ATOM 1857 CB ASP A 109 11.551 -8.684 9.114 1.00 23.11 C ATOM 1858 CG ASP A 109 11.595 -10.221 9.242 1.00 22.24 C ATOM 1859 OD1 ASP A 109 12.660 -10.813 8.982 1.00 14.11 O ATOM 1860 OD2 ASP A 109 10.564 -10.843 9.583 1.00 32.23 O ATOM 0 H ASP A 109 10.766 -6.127 7.756 1.00 64.24 H new ATOM 0 HA ASP A 109 11.767 -8.751 6.946 1.00 62.43 H new ATOM 0 HB2 ASP A 109 12.522 -8.276 9.393 1.00 23.11 H new ATOM 0 HB3 ASP A 109 10.823 -8.288 9.822 1.00 23.11 H new ATOM 1865 N ASP A 110 9.428 -9.748 7.084 1.00 3.15 N ATOM 1866 CA ASP A 110 8.095 -10.334 6.848 1.00 42.42 C ATOM 1867 C ASP A 110 7.086 -9.971 7.959 1.00 61.44 C ATOM 1868 O ASP A 110 6.057 -9.340 7.691 1.00 41.12 O ATOM 1869 CB ASP A 110 8.279 -11.881 6.752 1.00 31.24 C ATOM 1870 CG ASP A 110 6.970 -12.699 6.673 1.00 24.51 C ATOM 1871 OD1 ASP A 110 6.370 -12.993 7.732 1.00 43.54 O ATOM 1872 OD2 ASP A 110 6.549 -13.085 5.561 1.00 53.10 O ATOM 0 H ASP A 110 10.172 -10.441 7.003 1.00 3.15 H new ATOM 0 HA ASP A 110 7.680 -9.929 5.925 1.00 42.42 H new ATOM 0 HB2 ASP A 110 8.881 -12.105 5.871 1.00 31.24 H new ATOM 0 HB3 ASP A 110 8.846 -12.217 7.620 1.00 31.24 H new ATOM 1877 N GLU A 111 7.412 -10.349 9.216 1.00 34.22 N ATOM 1878 CA GLU A 111 6.472 -10.235 10.355 1.00 75.04 C ATOM 1879 C GLU A 111 6.290 -8.771 10.811 1.00 43.21 C ATOM 1880 O GLU A 111 5.303 -8.449 11.484 1.00 14.33 O ATOM 1881 CB GLU A 111 6.862 -11.214 11.518 1.00 63.15 C ATOM 1882 CG GLU A 111 8.318 -11.138 12.055 1.00 40.23 C ATOM 1883 CD GLU A 111 8.607 -9.953 12.996 1.00 52.11 C ATOM 1884 OE1 GLU A 111 8.137 -9.977 14.159 1.00 23.31 O ATOM 1885 OE2 GLU A 111 9.291 -8.990 12.586 1.00 0.01 O ATOM 0 H GLU A 111 8.321 -10.737 9.468 1.00 34.22 H new ATOM 0 HA GLU A 111 5.488 -10.553 10.011 1.00 75.04 H new ATOM 0 HB2 GLU A 111 6.185 -11.033 12.353 1.00 63.15 H new ATOM 0 HB3 GLU A 111 6.681 -12.233 11.176 1.00 63.15 H new ATOM 0 HG2 GLU A 111 8.543 -12.065 12.583 1.00 40.23 H new ATOM 0 HG3 GLU A 111 8.999 -11.082 11.206 1.00 40.23 H new ATOM 1892 N GLU A 112 7.255 -7.893 10.464 1.00 50.03 N ATOM 1893 CA GLU A 112 7.102 -6.437 10.654 1.00 62.02 C ATOM 1894 C GLU A 112 5.975 -5.902 9.755 1.00 44.10 C ATOM 1895 O GLU A 112 5.113 -5.136 10.210 1.00 23.34 O ATOM 1896 CB GLU A 112 8.406 -5.672 10.338 1.00 32.22 C ATOM 1897 CG GLU A 112 9.604 -5.994 11.234 1.00 34.21 C ATOM 1898 CD GLU A 112 10.779 -5.035 10.999 1.00 74.24 C ATOM 1899 OE1 GLU A 112 10.670 -3.850 11.383 1.00 50.35 O ATOM 1900 OE2 GLU A 112 11.800 -5.438 10.417 1.00 62.11 O ATOM 0 H GLU A 112 8.147 -8.168 10.052 1.00 50.03 H new ATOM 0 HA GLU A 112 6.856 -6.274 11.703 1.00 62.02 H new ATOM 0 HB2 GLU A 112 8.684 -5.878 9.304 1.00 32.22 H new ATOM 0 HB3 GLU A 112 8.203 -4.603 10.406 1.00 32.22 H new ATOM 0 HG2 GLU A 112 9.298 -5.942 12.279 1.00 34.21 H new ATOM 0 HG3 GLU A 112 9.930 -7.017 11.048 1.00 34.21 H new ATOM 1907 N ALA A 113 6.007 -6.327 8.475 1.00 23.54 N ATOM 1908 CA ALA A 113 5.034 -5.911 7.451 1.00 1.13 C ATOM 1909 C ALA A 113 3.619 -6.358 7.836 1.00 63.33 C ATOM 1910 O ALA A 113 2.697 -5.539 7.846 1.00 34.04 O ATOM 1911 CB ALA A 113 5.433 -6.470 6.073 1.00 72.12 C ATOM 0 H ALA A 113 6.714 -6.972 8.124 1.00 23.54 H new ATOM 0 HA ALA A 113 5.038 -4.823 7.391 1.00 1.13 H new ATOM 0 HB1 ALA A 113 4.704 -6.154 5.327 1.00 72.12 H new ATOM 0 HB2 ALA A 113 6.419 -6.094 5.799 1.00 72.12 H new ATOM 0 HB3 ALA A 113 5.459 -7.559 6.116 1.00 72.12 H new ATOM 1917 N LEU A 114 3.486 -7.647 8.227 1.00 60.24 N ATOM 1918 CA LEU A 114 2.191 -8.256 8.614 1.00 3.31 C ATOM 1919 C LEU A 114 1.570 -7.510 9.809 1.00 65.41 C ATOM 1920 O LEU A 114 0.363 -7.256 9.832 1.00 53.15 O ATOM 1921 CB LEU A 114 2.380 -9.757 8.979 1.00 53.24 C ATOM 1922 CG LEU A 114 2.906 -10.690 7.845 1.00 25.14 C ATOM 1923 CD1 LEU A 114 3.166 -12.114 8.375 1.00 63.20 C ATOM 1924 CD2 LEU A 114 1.938 -10.716 6.644 1.00 5.43 C ATOM 0 H LEU A 114 4.273 -8.294 8.283 1.00 60.24 H new ATOM 0 HA LEU A 114 1.518 -8.177 7.761 1.00 3.31 H new ATOM 0 HB2 LEU A 114 3.071 -9.819 9.819 1.00 53.24 H new ATOM 0 HB3 LEU A 114 1.423 -10.147 9.324 1.00 53.24 H new ATOM 0 HG LEU A 114 3.855 -10.282 7.497 1.00 25.14 H new ATOM 0 HD11 LEU A 114 3.532 -12.743 7.564 1.00 63.20 H new ATOM 0 HD12 LEU A 114 3.912 -12.076 9.169 1.00 63.20 H new ATOM 0 HD13 LEU A 114 2.239 -12.531 8.768 1.00 63.20 H new ATOM 0 HD21 LEU A 114 2.334 -11.375 5.872 1.00 5.43 H new ATOM 0 HD22 LEU A 114 0.964 -11.082 6.969 1.00 5.43 H new ATOM 0 HD23 LEU A 114 1.831 -9.709 6.241 1.00 5.43 H new ATOM 1936 N LYS A 115 2.435 -7.145 10.778 1.00 21.44 N ATOM 1937 CA LYS A 115 2.031 -6.463 12.016 1.00 15.44 C ATOM 1938 C LYS A 115 1.408 -5.086 11.721 1.00 64.02 C ATOM 1939 O LYS A 115 0.292 -4.814 12.151 1.00 12.51 O ATOM 1940 CB LYS A 115 3.252 -6.312 12.958 1.00 2.25 C ATOM 1941 CG LYS A 115 2.939 -5.638 14.315 1.00 2.33 C ATOM 1942 CD LYS A 115 4.188 -5.434 15.199 1.00 43.33 C ATOM 1943 CE LYS A 115 5.244 -4.505 14.557 1.00 73.32 C ATOM 1944 NZ LYS A 115 4.764 -3.111 14.392 1.00 23.31 N ATOM 0 H LYS A 115 3.438 -7.318 10.719 1.00 21.44 H new ATOM 0 HA LYS A 115 1.272 -7.072 12.507 1.00 15.44 H new ATOM 0 HB2 LYS A 115 3.673 -7.299 13.146 1.00 2.25 H new ATOM 0 HB3 LYS A 115 4.019 -5.730 12.447 1.00 2.25 H new ATOM 0 HG2 LYS A 115 2.470 -4.671 14.133 1.00 2.33 H new ATOM 0 HG3 LYS A 115 2.215 -6.247 14.856 1.00 2.33 H new ATOM 0 HD2 LYS A 115 3.882 -5.017 16.158 1.00 43.33 H new ATOM 0 HD3 LYS A 115 4.643 -6.403 15.403 1.00 43.33 H new ATOM 0 HE2 LYS A 115 6.142 -4.504 15.174 1.00 73.32 H new ATOM 0 HE3 LYS A 115 5.527 -4.904 13.583 1.00 73.32 H new ATOM 0 HZ1 LYS A 115 4.895 -2.813 13.404 1.00 23.31 H new ATOM 0 HZ2 LYS A 115 3.755 -3.060 14.638 1.00 23.31 H new ATOM 0 HZ3 LYS A 115 5.305 -2.481 15.018 1.00 23.31 H new ATOM 1958 N ILE A 116 2.137 -4.241 10.954 1.00 21.35 N ATOM 1959 CA ILE A 116 1.714 -2.849 10.657 1.00 4.30 C ATOM 1960 C ILE A 116 0.443 -2.818 9.774 1.00 11.21 C ATOM 1961 O ILE A 116 -0.386 -1.913 9.911 1.00 13.54 O ATOM 1962 CB ILE A 116 2.888 -2.018 9.996 1.00 22.20 C ATOM 1963 CG1 ILE A 116 4.113 -1.941 10.975 1.00 20.31 C ATOM 1964 CG2 ILE A 116 2.429 -0.596 9.564 1.00 53.05 C ATOM 1965 CD1 ILE A 116 5.248 -1.016 10.540 1.00 45.04 C ATOM 0 H ILE A 116 3.026 -4.500 10.527 1.00 21.35 H new ATOM 0 HA ILE A 116 1.466 -2.376 11.607 1.00 4.30 H new ATOM 0 HB ILE A 116 3.193 -2.539 9.088 1.00 22.20 H new ATOM 0 HG12 ILE A 116 3.755 -1.613 11.951 1.00 20.31 H new ATOM 0 HG13 ILE A 116 4.516 -2.946 11.104 1.00 20.31 H new ATOM 0 HG21 ILE A 116 3.268 -0.063 9.116 1.00 53.05 H new ATOM 0 HG22 ILE A 116 1.622 -0.680 8.836 1.00 53.05 H new ATOM 0 HG23 ILE A 116 2.075 -0.047 10.437 1.00 53.05 H new ATOM 0 HD11 ILE A 116 6.042 -1.038 11.287 1.00 45.04 H new ATOM 0 HD12 ILE A 116 5.643 -1.351 9.581 1.00 45.04 H new ATOM 0 HD13 ILE A 116 4.870 0.002 10.441 1.00 45.04 H new ATOM 1977 N VAL A 117 0.300 -3.824 8.885 1.00 54.11 N ATOM 1978 CA VAL A 117 -0.926 -4.034 8.074 1.00 55.41 C ATOM 1979 C VAL A 117 -2.178 -4.155 8.979 1.00 74.32 C ATOM 1980 O VAL A 117 -3.193 -3.485 8.749 1.00 10.23 O ATOM 1981 CB VAL A 117 -0.775 -5.320 7.156 1.00 32.15 C ATOM 1982 CG1 VAL A 117 -2.128 -5.808 6.590 1.00 41.24 C ATOM 1983 CG2 VAL A 117 0.224 -5.062 5.998 1.00 34.15 C ATOM 0 H VAL A 117 1.029 -4.515 8.707 1.00 54.11 H new ATOM 0 HA VAL A 117 -1.057 -3.164 7.431 1.00 55.41 H new ATOM 0 HB VAL A 117 -0.384 -6.111 7.796 1.00 32.15 H new ATOM 0 HG11 VAL A 117 -1.966 -6.690 5.970 1.00 41.24 H new ATOM 0 HG12 VAL A 117 -2.797 -6.061 7.413 1.00 41.24 H new ATOM 0 HG13 VAL A 117 -2.577 -5.018 5.988 1.00 41.24 H new ATOM 0 HG21 VAL A 117 0.309 -5.959 5.384 1.00 34.15 H new ATOM 0 HG22 VAL A 117 -0.135 -4.235 5.385 1.00 34.15 H new ATOM 0 HG23 VAL A 117 1.201 -4.810 6.410 1.00 34.15 H new ATOM 1993 N ARG A 118 -2.069 -4.998 10.018 1.00 24.45 N ATOM 1994 CA ARG A 118 -3.180 -5.282 10.952 1.00 64.32 C ATOM 1995 C ARG A 118 -3.420 -4.091 11.903 1.00 0.33 C ATOM 1996 O ARG A 118 -4.576 -3.722 12.164 1.00 74.40 O ATOM 1997 CB ARG A 118 -2.875 -6.570 11.754 1.00 24.45 C ATOM 1998 CG ARG A 118 -2.603 -7.815 10.877 1.00 35.32 C ATOM 1999 CD ARG A 118 -2.220 -9.055 11.698 1.00 40.40 C ATOM 2000 NE ARG A 118 -3.326 -9.514 12.556 1.00 32.23 N ATOM 2001 CZ ARG A 118 -4.143 -10.546 12.283 1.00 32.41 C ATOM 2002 NH1 ARG A 118 -3.991 -11.261 11.169 1.00 3.15 N ATOM 2003 NH2 ARG A 118 -5.108 -10.859 13.137 1.00 2.42 N ATOM 0 H ARG A 118 -1.211 -5.504 10.238 1.00 24.45 H new ATOM 0 HA ARG A 118 -4.091 -5.433 10.374 1.00 64.32 H new ATOM 0 HB2 ARG A 118 -2.008 -6.391 12.390 1.00 24.45 H new ATOM 0 HB3 ARG A 118 -3.716 -6.781 12.414 1.00 24.45 H new ATOM 0 HG2 ARG A 118 -3.491 -8.037 10.286 1.00 35.32 H new ATOM 0 HG3 ARG A 118 -1.801 -7.589 10.174 1.00 35.32 H new ATOM 0 HD2 ARG A 118 -1.927 -9.860 11.024 1.00 40.40 H new ATOM 0 HD3 ARG A 118 -1.352 -8.826 12.317 1.00 40.40 H new ATOM 0 HE ARG A 118 -3.485 -9.008 13.427 1.00 32.23 H new ATOM 0 HH11 ARG A 118 -3.247 -11.028 10.511 1.00 3.15 H new ATOM 0 HH12 ARG A 118 -4.618 -12.042 10.974 1.00 3.15 H new ATOM 0 HH21 ARG A 118 -5.226 -10.318 13.994 1.00 2.42 H new ATOM 0 HH22 ARG A 118 -5.732 -11.641 12.937 1.00 2.42 H new ATOM 2017 N GLU A 119 -2.309 -3.503 12.414 1.00 13.14 N ATOM 2018 CA GLU A 119 -2.339 -2.308 13.283 1.00 63.43 C ATOM 2019 C GLU A 119 -3.064 -1.144 12.605 1.00 65.31 C ATOM 2020 O GLU A 119 -3.878 -0.515 13.237 1.00 3.02 O ATOM 2021 CB GLU A 119 -0.914 -1.846 13.687 1.00 71.42 C ATOM 2022 CG GLU A 119 -0.214 -2.714 14.741 1.00 32.14 C ATOM 2023 CD GLU A 119 1.132 -2.108 15.182 1.00 2.23 C ATOM 2024 OE1 GLU A 119 2.139 -2.315 14.486 1.00 24.53 O ATOM 2025 OE2 GLU A 119 1.172 -1.382 16.202 1.00 74.22 O ATOM 0 H GLU A 119 -1.367 -3.848 12.232 1.00 13.14 H new ATOM 0 HA GLU A 119 -2.881 -2.600 14.182 1.00 63.43 H new ATOM 0 HB2 GLU A 119 -0.292 -1.819 12.792 1.00 71.42 H new ATOM 0 HB3 GLU A 119 -0.975 -0.825 14.064 1.00 71.42 H new ATOM 0 HG2 GLU A 119 -0.864 -2.826 15.609 1.00 32.14 H new ATOM 0 HG3 GLU A 119 -0.048 -3.713 14.337 1.00 32.14 H new ATOM 2032 N PHE A 120 -2.765 -0.908 11.315 1.00 72.41 N ATOM 2033 CA PHE A 120 -3.367 0.177 10.490 1.00 21.44 C ATOM 2034 C PHE A 120 -4.900 0.249 10.670 1.00 2.20 C ATOM 2035 O PHE A 120 -5.473 1.318 10.864 1.00 64.21 O ATOM 2036 CB PHE A 120 -3.019 -0.078 8.994 1.00 52.31 C ATOM 2037 CG PHE A 120 -3.818 0.772 7.991 1.00 52.44 C ATOM 2038 CD1 PHE A 120 -3.412 2.060 7.666 1.00 3.25 C ATOM 2039 CD2 PHE A 120 -4.993 0.278 7.398 1.00 55.03 C ATOM 2040 CE1 PHE A 120 -4.141 2.824 6.782 1.00 33.45 C ATOM 2041 CE2 PHE A 120 -5.719 1.048 6.520 1.00 72.42 C ATOM 2042 CZ PHE A 120 -5.292 2.318 6.213 1.00 72.31 C ATOM 0 H PHE A 120 -2.088 -1.470 10.800 1.00 72.41 H new ATOM 0 HA PHE A 120 -2.955 1.131 10.818 1.00 21.44 H new ATOM 0 HB2 PHE A 120 -1.956 0.113 8.845 1.00 52.31 H new ATOM 0 HB3 PHE A 120 -3.187 -1.132 8.771 1.00 52.31 H new ATOM 0 HD1 PHE A 120 -2.516 2.466 8.111 1.00 3.25 H new ATOM 0 HD2 PHE A 120 -5.330 -0.720 7.635 1.00 55.03 H new ATOM 0 HE1 PHE A 120 -3.811 3.822 6.533 1.00 33.45 H new ATOM 0 HE2 PHE A 120 -6.621 0.657 6.073 1.00 72.42 H new ATOM 0 HZ PHE A 120 -5.861 2.923 5.523 1.00 72.31 H new ATOM 2052 N MET A 121 -5.512 -0.928 10.630 1.00 41.43 N ATOM 2053 CA MET A 121 -6.969 -1.100 10.581 1.00 32.41 C ATOM 2054 C MET A 121 -7.666 -0.621 11.869 1.00 33.34 C ATOM 2055 O MET A 121 -8.837 -0.240 11.832 1.00 43.13 O ATOM 2056 CB MET A 121 -7.264 -2.585 10.285 1.00 62.33 C ATOM 2057 CG MET A 121 -6.562 -3.092 9.018 1.00 71.43 C ATOM 2058 SD MET A 121 -6.974 -4.786 8.602 1.00 70.45 S ATOM 2059 CE MET A 121 -6.047 -4.998 7.084 1.00 11.30 C ATOM 0 H MET A 121 -5.003 -1.812 10.631 1.00 41.43 H new ATOM 0 HA MET A 121 -7.378 -0.474 9.788 1.00 32.41 H new ATOM 0 HB2 MET A 121 -6.949 -3.189 11.136 1.00 62.33 H new ATOM 0 HB3 MET A 121 -8.340 -2.722 10.178 1.00 62.33 H new ATOM 0 HG2 MET A 121 -6.828 -2.446 8.181 1.00 71.43 H new ATOM 0 HG3 MET A 121 -5.483 -3.011 9.153 1.00 71.43 H new ATOM 0 HE1 MET A 121 -5.904 -6.061 6.890 1.00 11.30 H new ATOM 0 HE2 MET A 121 -6.596 -4.549 6.257 1.00 11.30 H new ATOM 0 HE3 MET A 121 -5.075 -4.513 7.180 1.00 11.30 H new ATOM 2069 N GLN A 122 -6.936 -0.646 12.998 1.00 51.20 N ATOM 2070 CA GLN A 122 -7.418 -0.092 14.286 1.00 40.31 C ATOM 2071 C GLN A 122 -6.824 1.319 14.531 1.00 72.41 C ATOM 2072 O GLN A 122 -7.476 2.184 15.123 1.00 3.33 O ATOM 2073 CB GLN A 122 -7.068 -1.048 15.471 1.00 62.12 C ATOM 2074 CG GLN A 122 -5.558 -1.279 15.707 1.00 3.55 C ATOM 2075 CD GLN A 122 -5.238 -2.101 16.957 1.00 23.03 C ATOM 2076 OE1 GLN A 122 -5.057 -1.554 18.041 1.00 24.41 O ATOM 2077 NE2 GLN A 122 -5.178 -3.414 16.816 1.00 30.21 N ATOM 0 H GLN A 122 -6.000 -1.047 13.049 1.00 51.20 H new ATOM 0 HA GLN A 122 -8.503 -0.004 14.230 1.00 40.31 H new ATOM 0 HB2 GLN A 122 -7.504 -0.643 16.384 1.00 62.12 H new ATOM 0 HB3 GLN A 122 -7.543 -2.012 15.291 1.00 62.12 H new ATOM 0 HG2 GLN A 122 -5.139 -1.784 14.837 1.00 3.55 H new ATOM 0 HG3 GLN A 122 -5.062 -0.312 15.785 1.00 3.55 H new ATOM 0 HE21 GLN A 122 -5.334 -3.836 15.901 1.00 30.21 H new ATOM 0 HE22 GLN A 122 -4.976 -4.005 17.623 1.00 30.21 H new