USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1086 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 95 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.3) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -94:sc= 0.036 (180deg=0) USER MOD Set 2.1: A 65 ASN : amide:sc= -0.158 K(o=-1.3,f=-2.7) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -1.15 F(o=-2.1!,f=-1.3) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.19 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= -0.306 USER MOD Set 4.1: A 13 ASN : amide:sc= 1.03 K(o=2.3,f=-2.2!) USER MOD Set 4.2: A 46 TYR OH : rot -171:sc= 1.22 USER MOD Set 5.1: A 9 THR OG1 : rot 80:sc= 0.593 USER MOD Set 5.2: A 42 MET CE :methyl -168:sc= -0.628 (180deg=-0.145) USER MOD Single : A 5 SER OG : rot -33:sc= 0.0576 USER MOD Single : A 7 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.6) USER MOD Single : A 10 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0117 (180deg=-0.164) USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.878 USER MOD Single : A 19 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 101:sc= 0.726 USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.182) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 140:sc= 1.01 (180deg=0.196) USER MOD Single : A 47 MET CE :methyl -121:sc= -2.88! (180deg=-6.61!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 57 LYS NZ :NH3+ -119:sc= 0.522 (180deg=-1.37!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -173:sc=-0.00827 (180deg=-0.0547) USER MOD Single : A 66 HIS : no HD1:sc= -0.0575 X(o=-0.057,f=-0.17) USER MOD Single : A 70 GLN : amide:sc= -0.0868 X(o=-0.087,f=-0.018) USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= -0.3 (180deg=-1.55!) USER MOD Single : A 74 GLN : amide:sc= -2.84 K(o=-2.8,f=-11!) USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= -0.347 (180deg=-1.84!) USER MOD Single : A 78 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.25) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.39 F(o=-1.4,f=-0.39) USER MOD Single : A 82 SER OG : rot 85:sc= 0.547 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.4) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.3) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.77) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.0315 K(o=-0.031,f=-0.88) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.128 F(o=-1.1,f=-0.13) USER MOD Single : A 130 SER OG : rot -90:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.274 -6.386 1.562 1.00 2.23 N ATOM 43 CA SER A 5 0.902 -6.161 2.954 1.00 23.33 C ATOM 44 C SER A 5 0.571 -7.479 3.648 1.00 63.44 C ATOM 45 O SER A 5 0.643 -7.584 4.871 1.00 2.25 O ATOM 46 CB SER A 5 -0.296 -5.213 3.038 1.00 64.23 C ATOM 47 OG SER A 5 -1.421 -5.754 2.368 1.00 52.44 O ATOM 0 HA SER A 5 1.752 -5.706 3.462 1.00 23.33 H new ATOM 0 HB2 SER A 5 -0.545 -5.028 4.083 1.00 64.23 H new ATOM 0 HB3 SER A 5 -0.034 -4.251 2.598 1.00 64.23 H new ATOM 0 HG SER A 5 -1.121 -6.283 1.599 1.00 52.44 H new ATOM 53 N GLU A 6 0.208 -8.483 2.855 1.00 43.02 N ATOM 54 CA GLU A 6 -0.135 -9.794 3.392 1.00 22.42 C ATOM 55 C GLU A 6 1.071 -10.436 4.073 1.00 11.20 C ATOM 56 O GLU A 6 0.924 -11.193 5.032 1.00 62.01 O ATOM 57 CB GLU A 6 -0.651 -10.708 2.278 1.00 2.51 C ATOM 58 CG GLU A 6 0.438 -11.195 1.337 1.00 23.14 C ATOM 59 CD GLU A 6 -0.113 -11.987 0.167 1.00 2.24 C ATOM 60 OE1 GLU A 6 -1.102 -12.723 0.364 1.00 72.42 O ATOM 61 OE2 GLU A 6 0.445 -11.870 -0.944 1.00 33.43 O ATOM 0 H GLU A 6 0.144 -8.413 1.839 1.00 43.02 H new ATOM 0 HA GLU A 6 -0.921 -9.659 4.135 1.00 22.42 H new ATOM 0 HB2 GLU A 6 -1.144 -11.570 2.726 1.00 2.51 H new ATOM 0 HB3 GLU A 6 -1.406 -10.173 1.701 1.00 2.51 H new ATOM 0 HG2 GLU A 6 0.997 -10.339 0.960 1.00 23.14 H new ATOM 0 HG3 GLU A 6 1.142 -11.816 1.892 1.00 23.14 H new ATOM 68 N GLN A 7 2.261 -10.127 3.569 1.00 3.21 N ATOM 69 CA GLN A 7 3.492 -10.674 4.128 1.00 41.04 C ATOM 70 C GLN A 7 3.729 -10.150 5.540 1.00 33.34 C ATOM 71 O GLN A 7 3.981 -10.922 6.466 1.00 62.44 O ATOM 72 CB GLN A 7 4.683 -10.322 3.234 1.00 30.14 C ATOM 73 CG GLN A 7 5.051 -11.421 2.250 1.00 13.50 C ATOM 74 CD GLN A 7 5.846 -12.539 2.894 1.00 32.10 C ATOM 75 OE1 GLN A 7 6.178 -12.478 4.078 1.00 23.11 O ATOM 76 NE2 GLN A 7 6.155 -13.570 2.116 1.00 44.31 N ATOM 0 H GLN A 7 2.399 -9.501 2.775 1.00 3.21 H new ATOM 0 HA GLN A 7 3.389 -11.758 4.175 1.00 41.04 H new ATOM 0 HB2 GLN A 7 4.454 -9.412 2.680 1.00 30.14 H new ATOM 0 HB3 GLN A 7 5.547 -10.104 3.862 1.00 30.14 H new ATOM 0 HG2 GLN A 7 4.141 -11.832 1.814 1.00 13.50 H new ATOM 0 HG3 GLN A 7 5.631 -10.992 1.433 1.00 13.50 H new ATOM 0 HE21 GLN A 7 5.859 -13.579 1.140 1.00 44.31 H new ATOM 0 HE22 GLN A 7 6.688 -14.353 2.495 1.00 44.31 H new ATOM 85 N PHE A 8 3.646 -8.834 5.700 1.00 52.44 N ATOM 86 CA PHE A 8 3.852 -8.206 7.000 1.00 63.32 C ATOM 87 C PHE A 8 2.872 -8.757 8.031 1.00 23.44 C ATOM 88 O PHE A 8 3.238 -9.010 9.180 1.00 13.20 O ATOM 89 CB PHE A 8 3.693 -6.689 6.888 1.00 2.45 C ATOM 90 CG PHE A 8 4.004 -5.958 8.163 1.00 25.14 C ATOM 91 CD1 PHE A 8 5.227 -6.127 8.794 1.00 72.14 C ATOM 92 CD2 PHE A 8 3.074 -5.103 8.732 1.00 4.20 C ATOM 93 CE1 PHE A 8 5.517 -5.456 9.967 1.00 75.12 C ATOM 94 CE2 PHE A 8 3.359 -4.429 9.905 1.00 53.13 C ATOM 95 CZ PHE A 8 4.581 -4.607 10.524 1.00 53.35 C ATOM 0 H PHE A 8 3.437 -8.181 4.945 1.00 52.44 H new ATOM 0 HA PHE A 8 4.866 -8.434 7.330 1.00 63.32 H new ATOM 0 HB2 PHE A 8 4.348 -6.320 6.098 1.00 2.45 H new ATOM 0 HB3 PHE A 8 2.671 -6.460 6.587 1.00 2.45 H new ATOM 0 HD1 PHE A 8 5.962 -6.791 8.364 1.00 72.14 H new ATOM 0 HD2 PHE A 8 2.116 -4.961 8.254 1.00 4.20 H new ATOM 0 HE1 PHE A 8 6.474 -5.595 10.447 1.00 75.12 H new ATOM 0 HE2 PHE A 8 2.626 -3.764 10.337 1.00 53.13 H new ATOM 0 HZ PHE A 8 4.804 -4.083 11.442 1.00 53.35 H new ATOM 105 N THR A 9 1.624 -8.941 7.613 1.00 33.55 N ATOM 106 CA THR A 9 0.590 -9.461 8.500 1.00 53.52 C ATOM 107 C THR A 9 0.803 -10.943 8.784 1.00 55.00 C ATOM 108 O THR A 9 0.846 -11.365 9.940 1.00 5.32 O ATOM 109 CB THR A 9 -0.815 -9.261 7.901 1.00 15.34 C ATOM 110 OG1 THR A 9 -0.834 -8.093 7.073 1.00 44.11 O ATOM 111 CG2 THR A 9 -1.858 -9.125 9.001 1.00 4.42 C ATOM 0 H THR A 9 1.304 -8.738 6.666 1.00 33.55 H new ATOM 0 HA THR A 9 0.663 -8.902 9.433 1.00 53.52 H new ATOM 0 HB THR A 9 -1.056 -10.137 7.299 1.00 15.34 H new ATOM 0 HG1 THR A 9 -0.447 -8.306 6.198 1.00 44.11 H new ATOM 0 HG21 THR A 9 -2.842 -8.985 8.554 1.00 4.42 H new ATOM 0 HG22 THR A 9 -1.862 -10.028 9.612 1.00 4.42 H new ATOM 0 HG23 THR A 9 -1.618 -8.265 9.626 1.00 4.42 H new ATOM 119 N THR A 10 0.935 -11.731 7.722 1.00 61.53 N ATOM 120 CA THR A 10 1.143 -13.168 7.857 1.00 0.41 C ATOM 121 C THR A 10 2.376 -13.467 8.702 1.00 32.42 C ATOM 122 O THR A 10 2.408 -14.448 9.446 1.00 11.35 O ATOM 123 CB THR A 10 1.300 -13.845 6.482 1.00 10.44 C ATOM 124 OG1 THR A 10 0.132 -13.615 5.687 1.00 53.20 O ATOM 125 CG2 THR A 10 1.527 -15.341 6.639 1.00 42.43 C ATOM 0 H THR A 10 0.902 -11.399 6.758 1.00 61.53 H new ATOM 0 HA THR A 10 0.259 -13.570 8.352 1.00 0.41 H new ATOM 0 HB THR A 10 2.168 -13.412 5.985 1.00 10.44 H new ATOM 0 HG1 THR A 10 0.270 -12.824 5.125 1.00 53.20 H new ATOM 0 HG21 THR A 10 1.635 -15.798 5.655 1.00 42.43 H new ATOM 0 HG22 THR A 10 2.433 -15.513 7.220 1.00 42.43 H new ATOM 0 HG23 THR A 10 0.676 -15.786 7.154 1.00 42.43 H new ATOM 133 N LYS A 11 3.390 -12.617 8.584 1.00 72.14 N ATOM 134 CA LYS A 11 4.625 -12.789 9.338 1.00 25.01 C ATOM 135 C LYS A 11 4.433 -12.385 10.796 1.00 3.23 C ATOM 136 O LYS A 11 4.827 -13.111 11.710 1.00 61.43 O ATOM 137 CB LYS A 11 5.749 -11.960 8.712 1.00 62.21 C ATOM 138 CG LYS A 11 6.422 -12.640 7.532 1.00 33.30 C ATOM 139 CD LYS A 11 7.760 -11.999 7.207 1.00 2.41 C ATOM 140 CE LYS A 11 8.846 -12.458 8.168 1.00 44.23 C ATOM 141 NZ LYS A 11 9.239 -13.874 7.925 1.00 0.42 N ATOM 0 H LYS A 11 3.380 -11.801 7.972 1.00 72.14 H new ATOM 0 HA LYS A 11 4.898 -13.844 9.304 1.00 25.01 H new ATOM 0 HB2 LYS A 11 5.344 -11.002 8.386 1.00 62.21 H new ATOM 0 HB3 LYS A 11 6.499 -11.746 9.474 1.00 62.21 H new ATOM 0 HG2 LYS A 11 6.569 -13.697 7.755 1.00 33.30 H new ATOM 0 HG3 LYS A 11 5.770 -12.586 6.660 1.00 33.30 H new ATOM 0 HD2 LYS A 11 8.046 -12.250 6.186 1.00 2.41 H new ATOM 0 HD3 LYS A 11 7.666 -10.914 7.254 1.00 2.41 H new ATOM 0 HE2 LYS A 11 9.720 -11.815 8.062 1.00 44.23 H new ATOM 0 HE3 LYS A 11 8.493 -12.350 9.194 1.00 44.23 H new ATOM 0 HZ1 LYS A 11 10.136 -14.073 8.411 1.00 0.42 H new ATOM 0 HZ2 LYS A 11 8.499 -14.507 8.290 1.00 0.42 H new ATOM 0 HZ3 LYS A 11 9.356 -14.031 6.904 1.00 0.42 H new ATOM 155 N LEU A 12 3.825 -11.223 11.008 1.00 20.01 N ATOM 156 CA LEU A 12 3.579 -10.723 12.356 1.00 11.32 C ATOM 157 C LEU A 12 2.832 -11.757 13.193 1.00 40.43 C ATOM 158 O LEU A 12 3.096 -11.914 14.384 1.00 44.22 O ATOM 159 CB LEU A 12 2.778 -9.421 12.300 1.00 42.41 C ATOM 160 CG LEU A 12 3.581 -8.151 12.016 1.00 40.34 C ATOM 161 CD1 LEU A 12 2.651 -6.995 11.679 1.00 61.41 C ATOM 162 CD2 LEU A 12 4.462 -7.799 13.206 1.00 61.25 C ATOM 0 H LEU A 12 3.493 -10.609 10.264 1.00 20.01 H new ATOM 0 HA LEU A 12 4.543 -10.530 12.826 1.00 11.32 H new ATOM 0 HB2 LEU A 12 2.012 -9.522 11.531 1.00 42.41 H new ATOM 0 HB3 LEU A 12 2.261 -9.295 13.251 1.00 42.41 H new ATOM 0 HG LEU A 12 4.224 -8.336 11.156 1.00 40.34 H new ATOM 0 HD11 LEU A 12 3.240 -6.100 11.480 1.00 61.41 H new ATOM 0 HD12 LEU A 12 2.063 -7.246 10.796 1.00 61.41 H new ATOM 0 HD13 LEU A 12 1.982 -6.809 12.519 1.00 61.41 H new ATOM 0 HD21 LEU A 12 5.026 -6.893 12.986 1.00 61.25 H new ATOM 0 HD22 LEU A 12 3.838 -7.634 14.084 1.00 61.25 H new ATOM 0 HD23 LEU A 12 5.154 -8.618 13.401 1.00 61.25 H new ATOM 174 N ASN A 13 1.899 -12.461 12.560 1.00 43.45 N ATOM 175 CA ASN A 13 1.115 -13.481 13.245 1.00 21.33 C ATOM 176 C ASN A 13 1.948 -14.736 13.487 1.00 61.53 C ATOM 177 O ASN A 13 1.738 -15.457 14.463 1.00 11.11 O ATOM 178 CB ASN A 13 -0.130 -13.831 12.428 1.00 34.44 C ATOM 179 CG ASN A 13 -1.243 -12.816 12.607 1.00 61.34 C ATOM 180 OD1 ASN A 13 -1.622 -12.485 13.730 1.00 32.31 O ATOM 181 ND2 ASN A 13 -1.772 -12.317 11.495 1.00 22.35 N ATOM 0 H ASN A 13 1.668 -12.343 11.574 1.00 43.45 H new ATOM 0 HA ASN A 13 0.807 -13.080 14.210 1.00 21.33 H new ATOM 0 HB2 ASN A 13 0.136 -13.892 11.373 1.00 34.44 H new ATOM 0 HB3 ASN A 13 -0.490 -14.817 12.723 1.00 34.44 H new ATOM 0 HD21 ASN A 13 -2.524 -11.630 11.552 1.00 22.35 H new ATOM 0 HD22 ASN A 13 -1.426 -12.621 10.585 1.00 22.35 H new ATOM 188 N THR A 14 2.896 -14.993 12.590 1.00 11.32 N ATOM 189 CA THR A 14 3.760 -16.160 12.705 1.00 65.34 C ATOM 190 C THR A 14 5.121 -15.783 13.278 1.00 3.35 C ATOM 191 O THR A 14 6.103 -16.507 13.104 1.00 14.45 O ATOM 192 CB THR A 14 3.964 -16.845 11.340 1.00 54.22 C ATOM 193 OG1 THR A 14 4.407 -15.887 10.372 1.00 13.33 O ATOM 194 CG2 THR A 14 2.674 -17.495 10.863 1.00 14.01 C ATOM 0 H THR A 14 3.084 -14.408 11.776 1.00 11.32 H new ATOM 0 HA THR A 14 3.263 -16.855 13.382 1.00 65.34 H new ATOM 0 HB THR A 14 4.722 -17.620 11.457 1.00 54.22 H new ATOM 0 HG1 THR A 14 3.632 -15.426 9.990 1.00 13.33 H new ATOM 0 HG21 THR A 14 2.842 -17.972 9.898 1.00 14.01 H new ATOM 0 HG22 THR A 14 2.355 -18.244 11.587 1.00 14.01 H new ATOM 0 HG23 THR A 14 1.899 -16.735 10.762 1.00 14.01 H new ATOM 202 N LEU A 15 5.174 -14.646 13.964 1.00 42.24 N ATOM 203 CA LEU A 15 6.416 -14.172 14.565 1.00 41.13 C ATOM 204 C LEU A 15 6.692 -14.889 15.882 1.00 33.14 C ATOM 205 O LEU A 15 5.766 -15.250 16.608 1.00 21.42 O ATOM 206 CB LEU A 15 6.349 -12.662 14.797 1.00 3.53 C ATOM 207 CG LEU A 15 7.018 -11.789 13.735 1.00 54.45 C ATOM 208 CD1 LEU A 15 6.843 -10.315 14.067 1.00 3.13 C ATOM 209 CD2 LEU A 15 8.493 -12.138 13.608 1.00 4.23 C ATOM 0 H LEU A 15 4.371 -14.036 14.118 1.00 42.24 H new ATOM 0 HA LEU A 15 7.231 -14.392 13.876 1.00 41.13 H new ATOM 0 HB2 LEU A 15 5.301 -12.372 14.869 1.00 3.53 H new ATOM 0 HB3 LEU A 15 6.808 -12.442 15.761 1.00 3.53 H new ATOM 0 HG LEU A 15 6.536 -11.984 12.777 1.00 54.45 H new ATOM 0 HD11 LEU A 15 7.326 -9.709 13.300 1.00 3.13 H new ATOM 0 HD12 LEU A 15 5.781 -10.074 14.104 1.00 3.13 H new ATOM 0 HD13 LEU A 15 7.297 -10.104 15.035 1.00 3.13 H new ATOM 0 HD21 LEU A 15 8.952 -11.506 12.847 1.00 4.23 H new ATOM 0 HD22 LEU A 15 8.989 -11.974 14.564 1.00 4.23 H new ATOM 0 HD23 LEU A 15 8.596 -13.184 13.321 1.00 4.23 H new ATOM 221 N GLU A 16 7.971 -15.090 16.185 1.00 14.41 N ATOM 222 CA GLU A 16 8.367 -15.762 17.417 1.00 60.45 C ATOM 223 C GLU A 16 9.431 -14.958 18.158 1.00 50.22 C ATOM 224 O GLU A 16 9.982 -13.996 17.622 1.00 1.24 O ATOM 225 CB GLU A 16 8.894 -17.166 17.110 1.00 4.32 C ATOM 226 CG GLU A 16 7.830 -18.247 17.191 1.00 50.14 C ATOM 227 CD GLU A 16 8.419 -19.636 17.341 1.00 5.11 C ATOM 228 OE1 GLU A 16 8.740 -20.260 16.308 1.00 21.13 O ATOM 229 OE2 GLU A 16 8.560 -20.098 18.493 1.00 62.32 O ATOM 0 H GLU A 16 8.750 -14.797 15.595 1.00 14.41 H new ATOM 0 HA GLU A 16 7.488 -15.843 18.056 1.00 60.45 H new ATOM 0 HB2 GLU A 16 9.329 -17.171 16.111 1.00 4.32 H new ATOM 0 HB3 GLU A 16 9.696 -17.405 17.808 1.00 4.32 H new ATOM 0 HG2 GLU A 16 7.173 -18.042 18.036 1.00 50.14 H new ATOM 0 HG3 GLU A 16 7.214 -18.213 16.293 1.00 50.14 H new ATOM 236 N ASP A 17 9.714 -15.359 19.392 1.00 13.53 N ATOM 237 CA ASP A 17 10.712 -14.676 20.208 1.00 74.10 C ATOM 238 C ASP A 17 12.113 -15.195 19.900 1.00 74.21 C ATOM 239 O ASP A 17 12.602 -16.116 20.554 1.00 73.34 O ATOM 240 CB ASP A 17 10.401 -14.862 21.694 1.00 74.21 C ATOM 241 CG ASP A 17 10.139 -16.312 22.054 1.00 40.44 C ATOM 242 OD1 ASP A 17 9.027 -16.802 21.767 1.00 63.34 O ATOM 243 OD2 ASP A 17 11.046 -16.955 22.623 1.00 53.02 O ATOM 0 H ASP A 17 9.267 -16.153 19.850 1.00 13.53 H new ATOM 0 HA ASP A 17 10.677 -13.613 19.968 1.00 74.10 H new ATOM 0 HB2 ASP A 17 11.236 -14.489 22.286 1.00 74.21 H new ATOM 0 HB3 ASP A 17 9.530 -14.262 21.958 1.00 74.21 H new ATOM 248 N SER A 18 12.753 -14.598 18.899 1.00 35.34 N ATOM 249 CA SER A 18 14.095 -15.004 18.501 1.00 5.41 C ATOM 250 C SER A 18 14.871 -13.823 17.925 1.00 0.55 C ATOM 251 O SER A 18 14.301 -12.957 17.261 1.00 21.43 O ATOM 252 CB SER A 18 14.026 -16.133 17.471 1.00 31.15 C ATOM 253 OG SER A 18 15.130 -16.083 16.584 1.00 32.24 O ATOM 0 H SER A 18 12.363 -13.832 18.350 1.00 35.34 H new ATOM 0 HA SER A 18 14.617 -15.363 19.388 1.00 5.41 H new ATOM 0 HB2 SER A 18 14.010 -17.095 17.982 1.00 31.15 H new ATOM 0 HB3 SER A 18 13.097 -16.057 16.905 1.00 31.15 H new ATOM 0 HG SER A 18 15.063 -16.816 15.937 1.00 32.24 H new ATOM 259 N GLN A 19 16.174 -13.795 18.186 1.00 0.00 N ATOM 260 CA GLN A 19 17.028 -12.720 17.695 1.00 62.12 C ATOM 261 C GLN A 19 17.040 -12.688 16.170 1.00 1.11 C ATOM 262 O GLN A 19 17.047 -11.618 15.563 1.00 15.41 O ATOM 263 CB GLN A 19 18.453 -12.890 18.224 1.00 22.23 C ATOM 264 CG GLN A 19 18.630 -12.419 19.659 1.00 54.44 C ATOM 265 CD GLN A 19 18.987 -10.948 19.750 1.00 64.33 C ATOM 266 OE1 GLN A 19 20.157 -10.590 19.890 1.00 10.33 O ATOM 267 NE2 GLN A 19 17.980 -10.087 19.670 1.00 74.44 N ATOM 0 H GLN A 19 16.661 -14.504 18.734 1.00 0.00 H new ATOM 0 HA GLN A 19 16.624 -11.775 18.057 1.00 62.12 H new ATOM 0 HB2 GLN A 19 18.733 -13.941 18.158 1.00 22.23 H new ATOM 0 HB3 GLN A 19 19.138 -12.337 17.582 1.00 22.23 H new ATOM 0 HG2 GLN A 19 17.709 -12.601 20.213 1.00 54.44 H new ATOM 0 HG3 GLN A 19 19.412 -13.009 20.137 1.00 54.44 H new ATOM 0 HE21 GLN A 19 17.026 -10.428 19.554 1.00 74.44 H new ATOM 0 HE22 GLN A 19 18.161 -9.085 19.724 1.00 74.44 H new ATOM 276 N GLU A 20 17.043 -13.868 15.558 1.00 23.10 N ATOM 277 CA GLU A 20 17.056 -13.974 14.104 1.00 53.53 C ATOM 278 C GLU A 20 15.680 -13.660 13.524 1.00 53.53 C ATOM 279 O GLU A 20 15.567 -13.078 12.445 1.00 41.23 O ATOM 280 CB GLU A 20 17.494 -15.376 13.676 1.00 51.34 C ATOM 281 CG GLU A 20 18.046 -15.435 12.261 1.00 24.45 C ATOM 282 CD GLU A 20 19.355 -14.684 12.114 1.00 2.12 C ATOM 283 OE1 GLU A 20 20.327 -15.041 12.812 1.00 30.12 O ATOM 284 OE2 GLU A 20 19.407 -13.738 11.300 1.00 21.11 O ATOM 0 H GLU A 20 17.037 -14.763 16.046 1.00 23.10 H new ATOM 0 HA GLU A 20 17.769 -13.245 13.719 1.00 53.53 H new ATOM 0 HB2 GLU A 20 18.254 -15.738 14.369 1.00 51.34 H new ATOM 0 HB3 GLU A 20 16.643 -16.053 13.754 1.00 51.34 H new ATOM 0 HG2 GLU A 20 18.195 -16.477 11.976 1.00 24.45 H new ATOM 0 HG3 GLU A 20 17.313 -15.018 11.571 1.00 24.45 H new ATOM 291 N SER A 21 14.636 -14.050 14.248 1.00 54.41 N ATOM 292 CA SER A 21 13.267 -13.814 13.804 1.00 33.32 C ATOM 293 C SER A 21 12.987 -12.320 13.674 1.00 21.11 C ATOM 294 O SER A 21 12.483 -11.859 12.650 1.00 52.13 O ATOM 295 CB SER A 21 12.275 -14.447 14.782 1.00 1.15 C ATOM 296 OG SER A 21 12.281 -15.860 14.672 1.00 13.31 O ATOM 0 H SER A 21 14.712 -14.531 15.144 1.00 54.41 H new ATOM 0 HA SER A 21 13.145 -14.275 12.824 1.00 33.32 H new ATOM 0 HB2 SER A 21 12.530 -14.157 15.802 1.00 1.15 H new ATOM 0 HB3 SER A 21 11.272 -14.068 14.584 1.00 1.15 H new ATOM 0 HG SER A 21 11.640 -16.240 15.308 1.00 13.31 H new ATOM 302 N ILE A 22 13.318 -11.570 14.719 1.00 1.44 N ATOM 303 CA ILE A 22 13.104 -10.128 14.722 1.00 0.23 C ATOM 304 C ILE A 22 13.919 -9.449 13.627 1.00 53.25 C ATOM 305 O ILE A 22 13.475 -8.471 13.024 1.00 32.41 O ATOM 306 CB ILE A 22 13.475 -9.506 16.082 1.00 72.32 C ATOM 307 CG1 ILE A 22 12.627 -10.122 17.197 1.00 54.42 C ATOM 308 CG2 ILE A 22 13.292 -7.997 16.042 1.00 41.54 C ATOM 309 CD1 ILE A 22 11.154 -9.792 17.088 1.00 62.25 C ATOM 0 H ILE A 22 13.735 -11.937 15.574 1.00 1.44 H new ATOM 0 HA ILE A 22 12.042 -9.967 14.535 1.00 0.23 H new ATOM 0 HB ILE A 22 14.524 -9.719 16.289 1.00 72.32 H new ATOM 0 HG12 ILE A 22 12.751 -11.205 17.181 1.00 54.42 H new ATOM 0 HG13 ILE A 22 12.999 -9.773 18.160 1.00 54.42 H new ATOM 0 HG21 ILE A 22 13.558 -7.572 17.010 1.00 41.54 H new ATOM 0 HG22 ILE A 22 13.935 -7.573 15.271 1.00 41.54 H new ATOM 0 HG23 ILE A 22 12.252 -7.763 15.817 1.00 41.54 H new ATOM 0 HD11 ILE A 22 10.614 -10.261 17.910 1.00 62.25 H new ATOM 0 HD12 ILE A 22 11.019 -8.711 17.135 1.00 62.25 H new ATOM 0 HD13 ILE A 22 10.767 -10.165 16.140 1.00 62.25 H new ATOM 321 N SER A 23 15.113 -9.975 13.372 1.00 14.23 N ATOM 322 CA SER A 23 15.991 -9.418 12.350 1.00 71.52 C ATOM 323 C SER A 23 15.475 -9.748 10.952 1.00 30.24 C ATOM 324 O SER A 23 15.522 -8.914 10.048 1.00 24.14 O ATOM 325 CB SER A 23 17.413 -9.957 12.521 1.00 12.20 C ATOM 326 OG SER A 23 18.355 -9.126 11.865 1.00 10.02 O ATOM 0 H SER A 23 15.494 -10.786 13.859 1.00 14.23 H new ATOM 0 HA SER A 23 16.004 -8.334 12.468 1.00 71.52 H new ATOM 0 HB2 SER A 23 17.656 -10.021 13.582 1.00 12.20 H new ATOM 0 HB3 SER A 23 17.473 -10.968 12.119 1.00 12.20 H new ATOM 0 HG SER A 23 19.256 -9.491 11.990 1.00 10.02 H new ATOM 332 N SER A 24 14.982 -10.971 10.784 1.00 62.03 N ATOM 333 CA SER A 24 14.460 -11.414 9.496 1.00 5.00 C ATOM 334 C SER A 24 13.401 -10.446 8.977 1.00 24.21 C ATOM 335 O SER A 24 13.458 -10.004 7.830 1.00 10.42 O ATOM 336 CB SER A 24 13.868 -12.819 9.618 1.00 34.02 C ATOM 337 OG SER A 24 13.314 -13.248 8.386 1.00 11.22 O ATOM 0 H SER A 24 14.933 -11.672 11.523 1.00 62.03 H new ATOM 0 HA SER A 24 15.286 -11.436 8.785 1.00 5.00 H new ATOM 0 HB2 SER A 24 14.643 -13.517 9.935 1.00 34.02 H new ATOM 0 HB3 SER A 24 13.098 -12.827 10.389 1.00 34.02 H new ATOM 0 HG SER A 24 12.944 -14.149 8.490 1.00 11.22 H new ATOM 343 N ALA A 25 12.436 -10.122 9.831 1.00 73.22 N ATOM 344 CA ALA A 25 11.364 -9.206 9.461 1.00 45.25 C ATOM 345 C ALA A 25 11.852 -7.761 9.465 1.00 11.13 C ATOM 346 O ALA A 25 11.481 -6.968 8.600 1.00 12.32 O ATOM 347 CB ALA A 25 10.181 -9.369 10.403 1.00 2.31 C ATOM 0 H ALA A 25 12.374 -10.480 10.784 1.00 73.22 H new ATOM 0 HA ALA A 25 11.043 -9.451 8.449 1.00 45.25 H new ATOM 0 HB1 ALA A 25 9.388 -8.679 10.114 1.00 2.31 H new ATOM 0 HB2 ALA A 25 9.809 -10.392 10.347 1.00 2.31 H new ATOM 0 HB3 ALA A 25 10.496 -9.153 11.424 1.00 2.31 H new ATOM 353 N SER A 26 12.685 -7.425 10.445 1.00 32.43 N ATOM 354 CA SER A 26 13.219 -6.074 10.565 1.00 25.00 C ATOM 355 C SER A 26 13.888 -5.637 9.265 1.00 74.11 C ATOM 356 O SER A 26 13.590 -4.570 8.728 1.00 50.11 O ATOM 357 CB SER A 26 14.223 -6.000 11.717 1.00 21.14 C ATOM 358 OG SER A 26 13.561 -5.857 12.962 1.00 51.10 O ATOM 0 H SER A 26 13.005 -8.070 11.167 1.00 32.43 H new ATOM 0 HA SER A 26 12.389 -5.399 10.772 1.00 25.00 H new ATOM 0 HB2 SER A 26 14.835 -6.902 11.729 1.00 21.14 H new ATOM 0 HB3 SER A 26 14.898 -5.158 11.562 1.00 21.14 H new ATOM 0 HG SER A 26 13.533 -6.723 13.419 1.00 51.10 H new ATOM 364 N LYS A 27 14.793 -6.470 8.764 1.00 63.04 N ATOM 365 CA LYS A 27 15.505 -6.173 7.526 1.00 75.01 C ATOM 366 C LYS A 27 14.528 -5.977 6.371 1.00 71.34 C ATOM 367 O LYS A 27 14.697 -5.076 5.549 1.00 35.13 O ATOM 368 CB LYS A 27 16.485 -7.300 7.194 1.00 73.43 C ATOM 369 CG LYS A 27 17.667 -7.378 8.144 1.00 32.53 C ATOM 370 CD LYS A 27 18.155 -8.808 8.310 1.00 4.43 C ATOM 371 CE LYS A 27 19.104 -9.206 7.190 1.00 3.12 C ATOM 372 NZ LYS A 27 18.371 -9.692 5.989 1.00 62.32 N ATOM 0 H LYS A 27 15.051 -7.357 9.196 1.00 63.04 H new ATOM 0 HA LYS A 27 16.062 -5.247 7.669 1.00 75.01 H new ATOM 0 HB2 LYS A 27 15.952 -8.251 7.212 1.00 73.43 H new ATOM 0 HB3 LYS A 27 16.855 -7.161 6.178 1.00 73.43 H new ATOM 0 HG2 LYS A 27 18.479 -6.757 7.767 1.00 32.53 H new ATOM 0 HG3 LYS A 27 17.381 -6.975 9.116 1.00 32.53 H new ATOM 0 HD2 LYS A 27 18.660 -8.912 9.270 1.00 4.43 H new ATOM 0 HD3 LYS A 27 17.301 -9.486 8.323 1.00 4.43 H new ATOM 0 HE2 LYS A 27 19.722 -8.351 6.917 1.00 3.12 H new ATOM 0 HE3 LYS A 27 19.778 -9.986 7.545 1.00 3.12 H new ATOM 0 HZ1 LYS A 27 18.864 -10.517 5.592 1.00 62.32 H new ATOM 0 HZ2 LYS A 27 17.404 -9.963 6.259 1.00 62.32 H new ATOM 0 HZ3 LYS A 27 18.332 -8.936 5.276 1.00 62.32 H new ATOM 386 N TRP A 28 13.507 -6.825 6.315 1.00 64.31 N ATOM 387 CA TRP A 28 12.503 -6.744 5.261 1.00 50.15 C ATOM 388 C TRP A 28 11.858 -5.362 5.228 1.00 24.52 C ATOM 389 O TRP A 28 11.816 -4.711 4.184 1.00 51.41 O ATOM 390 CB TRP A 28 11.431 -7.816 5.465 1.00 1.30 C ATOM 391 CG TRP A 28 10.455 -7.903 4.331 1.00 33.33 C ATOM 392 CD1 TRP A 28 10.745 -8.115 3.014 1.00 64.31 C ATOM 393 CD2 TRP A 28 9.031 -7.779 4.415 1.00 11.01 C ATOM 394 NE1 TRP A 28 9.588 -8.130 2.274 1.00 71.44 N ATOM 395 CE2 TRP A 28 8.522 -7.927 3.110 1.00 62.22 C ATOM 396 CE3 TRP A 28 8.136 -7.559 5.466 1.00 70.14 C ATOM 397 CZ2 TRP A 28 7.160 -7.861 2.830 1.00 11.12 C ATOM 398 CZ3 TRP A 28 6.784 -7.493 5.186 1.00 22.33 C ATOM 399 CH2 TRP A 28 6.306 -7.645 3.878 1.00 45.52 C ATOM 0 H TRP A 28 13.353 -7.576 6.987 1.00 64.31 H new ATOM 0 HA TRP A 28 13.000 -6.915 4.306 1.00 50.15 H new ATOM 0 HB2 TRP A 28 11.915 -8.784 5.593 1.00 1.30 H new ATOM 0 HB3 TRP A 28 10.888 -7.606 6.387 1.00 1.30 H new ATOM 0 HD1 TRP A 28 11.738 -8.251 2.613 1.00 64.31 H new ATOM 0 HE1 TRP A 28 9.532 -8.270 1.265 1.00 71.44 H new ATOM 0 HE3 TRP A 28 8.494 -7.443 6.478 1.00 70.14 H new ATOM 0 HZ2 TRP A 28 6.790 -7.976 1.822 1.00 11.12 H new ATOM 0 HZ3 TRP A 28 6.084 -7.321 5.990 1.00 22.33 H new ATOM 0 HH2 TRP A 28 5.243 -7.591 3.693 1.00 45.52 H new ATOM 410 N LEU A 29 11.358 -4.921 6.377 1.00 40.12 N ATOM 411 CA LEU A 29 10.715 -3.615 6.480 1.00 64.32 C ATOM 412 C LEU A 29 11.727 -2.493 6.273 1.00 40.40 C ATOM 413 O LEU A 29 11.385 -1.418 5.777 1.00 24.10 O ATOM 414 CB LEU A 29 10.040 -3.464 7.844 1.00 52.32 C ATOM 415 CG LEU A 29 8.828 -4.361 8.096 1.00 20.51 C ATOM 416 CD1 LEU A 29 8.779 -4.795 9.553 1.00 63.41 C ATOM 417 CD2 LEU A 29 7.543 -3.645 7.708 1.00 1.40 C ATOM 0 H LEU A 29 11.385 -5.448 7.250 1.00 40.12 H new ATOM 0 HA LEU A 29 9.959 -3.546 5.698 1.00 64.32 H new ATOM 0 HB2 LEU A 29 10.781 -3.663 8.618 1.00 52.32 H new ATOM 0 HB3 LEU A 29 9.729 -2.426 7.960 1.00 52.32 H new ATOM 0 HG LEU A 29 8.925 -5.252 7.475 1.00 20.51 H new ATOM 0 HD11 LEU A 29 7.910 -5.433 9.714 1.00 63.41 H new ATOM 0 HD12 LEU A 29 9.685 -5.348 9.798 1.00 63.41 H new ATOM 0 HD13 LEU A 29 8.707 -3.915 10.192 1.00 63.41 H new ATOM 0 HD21 LEU A 29 6.691 -4.299 7.894 1.00 1.40 H new ATOM 0 HD22 LEU A 29 7.439 -2.736 8.301 1.00 1.40 H new ATOM 0 HD23 LEU A 29 7.576 -3.386 6.650 1.00 1.40 H new ATOM 429 N LEU A 30 12.973 -2.749 6.654 1.00 25.01 N ATOM 430 CA LEU A 30 14.037 -1.761 6.509 1.00 53.25 C ATOM 431 C LEU A 30 14.108 -1.244 5.075 1.00 35.40 C ATOM 432 O LEU A 30 14.272 -0.046 4.843 1.00 44.11 O ATOM 433 CB LEU A 30 15.382 -2.367 6.911 1.00 21.04 C ATOM 434 CG LEU A 30 16.017 -1.806 8.184 1.00 31.03 C ATOM 435 CD1 LEU A 30 15.008 -1.790 9.322 1.00 73.41 C ATOM 436 CD2 LEU A 30 17.245 -2.617 8.570 1.00 63.22 C ATOM 0 H LEU A 30 13.272 -3.633 7.066 1.00 25.01 H new ATOM 0 HA LEU A 30 13.812 -0.922 7.168 1.00 53.25 H new ATOM 0 HB2 LEU A 30 15.250 -3.442 7.038 1.00 21.04 H new ATOM 0 HB3 LEU A 30 16.082 -2.226 6.087 1.00 21.04 H new ATOM 0 HG LEU A 30 16.330 -0.780 7.989 1.00 31.03 H new ATOM 0 HD11 LEU A 30 15.478 -1.388 10.219 1.00 73.41 H new ATOM 0 HD12 LEU A 30 14.158 -1.165 9.046 1.00 73.41 H new ATOM 0 HD13 LEU A 30 14.663 -2.806 9.517 1.00 73.41 H new ATOM 0 HD21 LEU A 30 17.684 -2.203 9.478 1.00 63.22 H new ATOM 0 HD22 LEU A 30 16.956 -3.653 8.746 1.00 63.22 H new ATOM 0 HD23 LEU A 30 17.976 -2.576 7.763 1.00 63.22 H new ATOM 448 N LEU A 31 13.980 -2.155 4.117 1.00 71.43 N ATOM 449 CA LEU A 31 14.027 -1.792 2.705 1.00 60.14 C ATOM 450 C LEU A 31 12.626 -1.524 2.164 1.00 20.41 C ATOM 451 O LEU A 31 12.416 -1.484 0.952 1.00 32.13 O ATOM 452 CB LEU A 31 14.695 -2.904 1.894 1.00 50.03 C ATOM 453 CG LEU A 31 15.981 -3.484 2.483 1.00 60.51 C ATOM 454 CD1 LEU A 31 16.373 -4.761 1.755 1.00 34.35 C ATOM 455 CD2 LEU A 31 17.107 -2.463 2.415 1.00 22.22 C ATOM 0 H LEU A 31 13.843 -3.150 4.292 1.00 71.43 H new ATOM 0 HA LEU A 31 14.614 -0.878 2.610 1.00 60.14 H new ATOM 0 HB2 LEU A 31 13.978 -3.716 1.769 1.00 50.03 H new ATOM 0 HB3 LEU A 31 14.917 -2.518 0.899 1.00 50.03 H new ATOM 0 HG LEU A 31 15.801 -3.727 3.530 1.00 60.51 H new ATOM 0 HD11 LEU A 31 17.291 -5.160 2.188 1.00 34.35 H new ATOM 0 HD12 LEU A 31 15.575 -5.497 1.855 1.00 34.35 H new ATOM 0 HD13 LEU A 31 16.535 -4.543 0.699 1.00 34.35 H new ATOM 0 HD21 LEU A 31 18.014 -2.893 2.839 1.00 22.22 H new ATOM 0 HD22 LEU A 31 17.287 -2.188 1.376 1.00 22.22 H new ATOM 0 HD23 LEU A 31 16.828 -1.575 2.982 1.00 22.22 H new ATOM 467 N GLN A 32 11.673 -1.340 3.072 1.00 75.14 N ATOM 468 CA GLN A 32 10.292 -1.075 2.685 1.00 11.51 C ATOM 469 C GLN A 32 9.844 0.299 3.174 1.00 45.22 C ATOM 470 O GLN A 32 8.724 0.462 3.658 1.00 41.33 O ATOM 471 CB GLN A 32 9.366 -2.155 3.246 1.00 21.13 C ATOM 472 CG GLN A 32 9.632 -3.540 2.678 1.00 43.30 C ATOM 473 CD GLN A 32 8.751 -3.861 1.487 1.00 32.23 C ATOM 474 OE1 GLN A 32 7.559 -4.133 1.638 1.00 63.11 O ATOM 475 NE2 GLN A 32 9.333 -3.832 0.294 1.00 11.42 N ATOM 0 H GLN A 32 11.831 -1.369 4.079 1.00 75.14 H new ATOM 0 HA GLN A 32 10.237 -1.089 1.596 1.00 11.51 H new ATOM 0 HB2 GLN A 32 9.476 -2.189 4.330 1.00 21.13 H new ATOM 0 HB3 GLN A 32 8.332 -1.879 3.039 1.00 21.13 H new ATOM 0 HG2 GLN A 32 10.678 -3.612 2.381 1.00 43.30 H new ATOM 0 HG3 GLN A 32 9.470 -4.285 3.457 1.00 43.30 H new ATOM 0 HE21 GLN A 32 10.324 -3.602 0.215 1.00 11.42 H new ATOM 0 HE22 GLN A 32 8.790 -4.040 -0.544 1.00 11.42 H new ATOM 484 N TYR A 33 10.727 1.284 3.044 1.00 33.35 N ATOM 485 CA TYR A 33 10.424 2.643 3.476 1.00 54.24 C ATOM 486 C TYR A 33 9.289 3.237 2.647 1.00 51.33 C ATOM 487 O TYR A 33 8.666 4.223 3.043 1.00 62.25 O ATOM 488 CB TYR A 33 11.668 3.526 3.364 1.00 60.52 C ATOM 489 CG TYR A 33 12.361 3.428 2.024 1.00 62.34 C ATOM 490 CD1 TYR A 33 11.742 3.881 0.865 1.00 63.42 C ATOM 491 CD2 TYR A 33 13.634 2.882 1.916 1.00 62.13 C ATOM 492 CE1 TYR A 33 12.371 3.793 -0.362 1.00 63.31 C ATOM 493 CE2 TYR A 33 14.271 2.791 0.693 1.00 4.44 C ATOM 494 CZ TYR A 33 13.636 3.248 -0.443 1.00 32.15 C ATOM 495 OH TYR A 33 14.267 3.158 -1.662 1.00 54.22 O ATOM 0 H TYR A 33 11.658 1.166 2.643 1.00 33.35 H new ATOM 0 HA TYR A 33 10.107 2.604 4.518 1.00 54.24 H new ATOM 0 HB2 TYR A 33 11.384 4.563 3.542 1.00 60.52 H new ATOM 0 HB3 TYR A 33 12.372 3.249 4.149 1.00 60.52 H new ATOM 0 HD1 TYR A 33 10.752 4.309 0.925 1.00 63.42 H new ATOM 0 HD2 TYR A 33 14.134 2.523 2.803 1.00 62.13 H new ATOM 0 HE1 TYR A 33 11.875 4.149 -1.253 1.00 63.31 H new ATOM 0 HE2 TYR A 33 15.261 2.364 0.627 1.00 4.44 H new ATOM 0 HH TYR A 33 15.151 2.751 -1.544 1.00 54.22 H new ATOM 505 N ARG A 34 9.026 2.630 1.494 1.00 20.22 N ATOM 506 CA ARG A 34 7.967 3.098 0.608 1.00 22.11 C ATOM 507 C ARG A 34 6.604 2.990 1.285 1.00 1.14 C ATOM 508 O ARG A 34 5.693 3.766 0.997 1.00 42.44 O ATOM 509 CB ARG A 34 7.968 2.292 -0.692 1.00 73.22 C ATOM 510 CG ARG A 34 9.272 2.387 -1.467 1.00 54.24 C ATOM 511 CD ARG A 34 9.274 1.457 -2.671 1.00 15.43 C ATOM 512 NE ARG A 34 10.230 1.883 -3.690 1.00 35.25 N ATOM 513 CZ ARG A 34 10.279 1.366 -4.912 1.00 64.31 C ATOM 514 NH1 ARG A 34 9.432 0.409 -5.266 1.00 40.40 N ATOM 515 NH2 ARG A 34 11.178 1.805 -5.784 1.00 1.54 N ATOM 0 H ARG A 34 9.532 1.813 1.152 1.00 20.22 H new ATOM 0 HA ARG A 34 8.157 4.146 0.378 1.00 22.11 H new ATOM 0 HB2 ARG A 34 7.768 1.246 -0.461 1.00 73.22 H new ATOM 0 HB3 ARG A 34 7.152 2.640 -1.326 1.00 73.22 H new ATOM 0 HG2 ARG A 34 9.425 3.414 -1.799 1.00 54.24 H new ATOM 0 HG3 ARG A 34 10.106 2.136 -0.811 1.00 54.24 H new ATOM 0 HD2 ARG A 34 9.517 0.445 -2.347 1.00 15.43 H new ATOM 0 HD3 ARG A 34 8.274 1.422 -3.104 1.00 15.43 H new ATOM 0 HE ARG A 34 10.896 2.617 -3.450 1.00 35.25 H new ATOM 0 HH11 ARG A 34 8.740 0.068 -4.599 1.00 40.40 H new ATOM 0 HH12 ARG A 34 9.472 0.014 -6.206 1.00 40.40 H new ATOM 0 HH21 ARG A 34 11.832 2.540 -5.516 1.00 1.54 H new ATOM 0 HH22 ARG A 34 11.215 1.407 -6.722 1.00 1.54 H new ATOM 529 N ASP A 35 6.472 2.023 2.186 1.00 31.13 N ATOM 530 CA ASP A 35 5.221 1.813 2.905 1.00 15.53 C ATOM 531 C ASP A 35 5.348 2.258 4.359 1.00 23.41 C ATOM 532 O ASP A 35 4.915 1.557 5.273 1.00 72.41 O ATOM 533 CB ASP A 35 4.812 0.341 2.843 1.00 70.11 C ATOM 534 CG ASP A 35 6.005 -0.593 2.887 1.00 22.30 C ATOM 535 OD1 ASP A 35 6.511 -0.857 3.998 1.00 42.33 O ATOM 536 OD2 ASP A 35 6.434 -1.060 1.811 1.00 74.43 O ATOM 0 H ASP A 35 7.216 1.372 2.436 1.00 31.13 H new ATOM 0 HA ASP A 35 4.450 2.416 2.425 1.00 15.53 H new ATOM 0 HB2 ASP A 35 4.147 0.116 3.677 1.00 70.11 H new ATOM 0 HB3 ASP A 35 4.247 0.162 1.928 1.00 70.11 H new ATOM 541 N ALA A 36 5.947 3.426 4.565 1.00 10.11 N ATOM 542 CA ALA A 36 6.131 3.964 5.907 1.00 10.03 C ATOM 543 C ALA A 36 4.796 4.106 6.630 1.00 75.32 C ATOM 544 O ALA A 36 4.561 3.501 7.676 1.00 22.22 O ATOM 545 CB ALA A 36 6.844 5.306 5.845 1.00 44.44 C ATOM 0 H ALA A 36 6.313 4.018 3.819 1.00 10.11 H new ATOM 0 HA ALA A 36 6.747 3.263 6.470 1.00 10.03 H new ATOM 0 HB1 ALA A 36 6.974 5.696 6.855 1.00 44.44 H new ATOM 0 HB2 ALA A 36 7.820 5.178 5.376 1.00 44.44 H new ATOM 0 HB3 ALA A 36 6.249 6.007 5.259 1.00 44.44 H new ATOM 551 N PRO A 37 3.898 4.924 6.061 1.00 50.21 N ATOM 552 CA PRO A 37 2.571 5.164 6.634 1.00 15.45 C ATOM 553 C PRO A 37 1.665 3.941 6.533 1.00 3.54 C ATOM 554 O PRO A 37 0.801 3.724 7.383 1.00 72.05 O ATOM 555 CB PRO A 37 2.018 6.310 5.783 1.00 43.30 C ATOM 556 CG PRO A 37 2.738 6.197 4.483 1.00 11.55 C ATOM 557 CD PRO A 37 4.110 5.678 4.814 1.00 73.45 C ATOM 0 HA PRO A 37 2.623 5.392 7.699 1.00 15.45 H new ATOM 0 HB2 PRO A 37 0.940 6.219 5.648 1.00 43.30 H new ATOM 0 HB3 PRO A 37 2.200 7.276 6.254 1.00 43.30 H new ATOM 0 HG2 PRO A 37 2.217 5.520 3.806 1.00 11.55 H new ATOM 0 HG3 PRO A 37 2.796 7.164 3.984 1.00 11.55 H new ATOM 0 HD2 PRO A 37 4.501 5.041 4.021 1.00 73.45 H new ATOM 0 HD3 PRO A 37 4.824 6.490 4.952 1.00 73.45 H new ATOM 565 N LYS A 38 1.870 3.145 5.490 1.00 75.31 N ATOM 566 CA LYS A 38 1.073 1.942 5.278 1.00 63.32 C ATOM 567 C LYS A 38 1.307 0.931 6.396 1.00 61.54 C ATOM 568 O LYS A 38 0.365 0.486 7.051 1.00 73.30 O ATOM 569 CB LYS A 38 1.415 1.311 3.926 1.00 55.33 C ATOM 570 CG LYS A 38 0.940 -0.125 3.787 1.00 11.21 C ATOM 571 CD LYS A 38 0.290 -0.369 2.436 1.00 61.55 C ATOM 572 CE LYS A 38 -1.223 -0.239 2.513 1.00 33.40 C ATOM 573 NZ LYS A 38 -1.692 1.087 2.025 1.00 43.24 N ATOM 0 H LYS A 38 2.581 3.311 4.778 1.00 75.31 H new ATOM 0 HA LYS A 38 0.021 2.227 5.284 1.00 63.32 H new ATOM 0 HB2 LYS A 38 0.970 1.910 3.132 1.00 55.33 H new ATOM 0 HB3 LYS A 38 2.495 1.343 3.782 1.00 55.33 H new ATOM 0 HG2 LYS A 38 1.785 -0.802 3.913 1.00 11.21 H new ATOM 0 HG3 LYS A 38 0.228 -0.352 4.581 1.00 11.21 H new ATOM 0 HD2 LYS A 38 0.681 0.343 1.709 1.00 61.55 H new ATOM 0 HD3 LYS A 38 0.553 -1.365 2.079 1.00 61.55 H new ATOM 0 HE2 LYS A 38 -1.686 -1.028 1.921 1.00 33.40 H new ATOM 0 HE3 LYS A 38 -1.548 -0.382 3.544 1.00 33.40 H new ATOM 0 HZ1 LYS A 38 -2.729 1.135 2.094 1.00 43.24 H new ATOM 0 HZ2 LYS A 38 -1.271 1.840 2.606 1.00 43.24 H new ATOM 0 HZ3 LYS A 38 -1.405 1.213 1.034 1.00 43.24 H new ATOM 587 N VAL A 39 2.569 0.572 6.609 1.00 43.20 N ATOM 588 CA VAL A 39 2.927 -0.384 7.649 1.00 31.55 C ATOM 589 C VAL A 39 2.592 0.159 9.034 1.00 22.31 C ATOM 590 O VAL A 39 2.188 -0.589 9.924 1.00 14.30 O ATOM 591 CB VAL A 39 4.425 -0.737 7.597 1.00 44.12 C ATOM 592 CG1 VAL A 39 4.795 -1.669 8.741 1.00 44.24 C ATOM 593 CG2 VAL A 39 4.779 -1.360 6.255 1.00 71.02 C ATOM 0 H VAL A 39 3.361 0.929 6.074 1.00 43.20 H new ATOM 0 HA VAL A 39 2.343 -1.285 7.464 1.00 31.55 H new ATOM 0 HB VAL A 39 5.001 0.182 7.709 1.00 44.12 H new ATOM 0 HG11 VAL A 39 5.857 -1.907 8.687 1.00 44.24 H new ATOM 0 HG12 VAL A 39 4.580 -1.181 9.692 1.00 44.24 H new ATOM 0 HG13 VAL A 39 4.213 -2.587 8.665 1.00 44.24 H new ATOM 0 HG21 VAL A 39 5.841 -1.603 6.236 1.00 71.02 H new ATOM 0 HG22 VAL A 39 4.196 -2.270 6.111 1.00 71.02 H new ATOM 0 HG23 VAL A 39 4.554 -0.654 5.455 1.00 71.02 H new ATOM 603 N ALA A 40 2.763 1.465 9.208 1.00 3.05 N ATOM 604 CA ALA A 40 2.477 2.109 10.484 1.00 11.41 C ATOM 605 C ALA A 40 0.998 1.996 10.837 1.00 73.42 C ATOM 606 O ALA A 40 0.644 1.642 11.961 1.00 3.32 O ATOM 607 CB ALA A 40 2.901 3.570 10.445 1.00 42.03 C ATOM 0 H ALA A 40 3.098 2.098 8.482 1.00 3.05 H new ATOM 0 HA ALA A 40 3.049 1.596 11.257 1.00 11.41 H new ATOM 0 HB1 ALA A 40 2.681 4.038 11.404 1.00 42.03 H new ATOM 0 HB2 ALA A 40 3.971 3.633 10.247 1.00 42.03 H new ATOM 0 HB3 ALA A 40 2.355 4.086 9.656 1.00 42.03 H new ATOM 613 N GLU A 41 0.138 2.298 9.869 1.00 43.03 N ATOM 614 CA GLU A 41 -1.303 2.231 10.079 1.00 31.32 C ATOM 615 C GLU A 41 -1.749 0.794 10.337 1.00 3.25 C ATOM 616 O GLU A 41 -2.483 0.522 11.287 1.00 51.43 O ATOM 617 CB GLU A 41 -2.045 2.796 8.866 1.00 10.24 C ATOM 618 CG GLU A 41 -3.489 3.169 9.156 1.00 74.53 C ATOM 619 CD GLU A 41 -4.095 4.040 8.073 1.00 12.40 C ATOM 620 OE1 GLU A 41 -3.834 3.775 6.881 1.00 32.22 O ATOM 621 OE2 GLU A 41 -4.831 4.989 8.418 1.00 21.24 O ATOM 0 H GLU A 41 0.415 2.591 8.932 1.00 43.03 H new ATOM 0 HA GLU A 41 -1.544 2.832 10.956 1.00 31.32 H new ATOM 0 HB2 GLU A 41 -1.516 3.678 8.505 1.00 10.24 H new ATOM 0 HB3 GLU A 41 -2.023 2.060 8.062 1.00 10.24 H new ATOM 0 HG2 GLU A 41 -4.081 2.260 9.260 1.00 74.53 H new ATOM 0 HG3 GLU A 41 -3.540 3.694 10.110 1.00 74.53 H new ATOM 628 N MET A 42 -1.299 -0.121 9.485 1.00 1.10 N ATOM 629 CA MET A 42 -1.651 -1.530 9.621 1.00 5.40 C ATOM 630 C MET A 42 -1.128 -2.096 10.938 1.00 53.43 C ATOM 631 O MET A 42 -1.872 -2.723 11.692 1.00 4.13 O ATOM 632 CB MET A 42 -1.087 -2.334 8.448 1.00 40.53 C ATOM 633 CG MET A 42 -1.957 -3.513 8.045 1.00 34.04 C ATOM 634 SD MET A 42 -1.014 -4.839 7.268 1.00 14.12 S ATOM 635 CE MET A 42 -0.349 -5.670 8.708 1.00 30.34 C ATOM 0 H MET A 42 -0.690 0.087 8.694 1.00 1.10 H new ATOM 0 HA MET A 42 -2.738 -1.609 9.617 1.00 5.40 H new ATOM 0 HB2 MET A 42 -0.965 -1.673 7.590 1.00 40.53 H new ATOM 0 HB3 MET A 42 -0.094 -2.699 8.712 1.00 40.53 H new ATOM 0 HG2 MET A 42 -2.465 -3.903 8.927 1.00 34.04 H new ATOM 0 HG3 MET A 42 -2.730 -3.171 7.357 1.00 34.04 H new ATOM 0 HE1 MET A 42 0.422 -6.375 8.397 1.00 30.34 H new ATOM 0 HE2 MET A 42 0.084 -4.934 9.385 1.00 30.34 H new ATOM 0 HE3 MET A 42 -1.148 -6.207 9.219 1.00 30.34 H new ATOM 645 N TRP A 43 0.153 -1.870 11.206 1.00 34.45 N ATOM 646 CA TRP A 43 0.773 -2.359 12.433 1.00 44.24 C ATOM 647 C TRP A 43 0.012 -1.871 13.660 1.00 2.41 C ATOM 648 O TRP A 43 -0.304 -2.651 14.558 1.00 31.12 O ATOM 649 CB TRP A 43 2.232 -1.903 12.507 1.00 74.02 C ATOM 650 CG TRP A 43 2.965 -2.451 13.693 1.00 5.33 C ATOM 651 CD1 TRP A 43 3.580 -3.667 13.787 1.00 14.14 C ATOM 652 CD2 TRP A 43 3.160 -1.802 14.955 1.00 71.22 C ATOM 653 NE1 TRP A 43 4.144 -3.813 15.032 1.00 61.55 N ATOM 654 CE2 TRP A 43 3.902 -2.683 15.766 1.00 35.12 C ATOM 655 CE3 TRP A 43 2.782 -0.563 15.477 1.00 13.53 C ATOM 656 CZ2 TRP A 43 4.269 -2.362 17.070 1.00 23.31 C ATOM 657 CZ3 TRP A 43 3.147 -0.246 16.772 1.00 43.32 C ATOM 658 CH2 TRP A 43 3.886 -1.142 17.556 1.00 15.01 C ATOM 0 H TRP A 43 0.782 -1.352 10.592 1.00 34.45 H new ATOM 0 HA TRP A 43 0.740 -3.448 12.419 1.00 44.24 H new ATOM 0 HB2 TRP A 43 2.748 -2.209 11.597 1.00 74.02 H new ATOM 0 HB3 TRP A 43 2.264 -0.814 12.540 1.00 74.02 H new ATOM 0 HD1 TRP A 43 3.618 -4.405 12.999 1.00 14.14 H new ATOM 0 HE1 TRP A 43 4.660 -4.631 15.357 1.00 61.55 H new ATOM 0 HE3 TRP A 43 2.215 0.135 14.879 1.00 13.53 H new ATOM 0 HZ2 TRP A 43 4.836 -3.052 17.677 1.00 23.31 H new ATOM 0 HZ3 TRP A 43 2.858 0.708 17.187 1.00 43.32 H new ATOM 0 HH2 TRP A 43 4.158 -0.864 18.563 1.00 15.01 H new ATOM 669 N LYS A 44 -0.280 -0.575 13.693 1.00 1.21 N ATOM 670 CA LYS A 44 -1.006 0.018 14.810 1.00 1.10 C ATOM 671 C LYS A 44 -2.370 -0.642 14.985 1.00 63.45 C ATOM 672 O LYS A 44 -2.660 -1.219 16.032 1.00 11.21 O ATOM 673 CB LYS A 44 -1.180 1.523 14.591 1.00 73.55 C ATOM 674 CG LYS A 44 -2.030 2.198 15.653 1.00 21.22 C ATOM 675 CD LYS A 44 -2.147 3.693 15.407 1.00 60.41 C ATOM 676 CE LYS A 44 -3.321 4.292 16.166 1.00 41.33 C ATOM 677 NZ LYS A 44 -4.618 4.020 15.486 1.00 3.03 N ATOM 0 H LYS A 44 -0.025 0.085 12.958 1.00 1.21 H new ATOM 0 HA LYS A 44 -0.424 -0.146 15.717 1.00 1.10 H new ATOM 0 HB2 LYS A 44 -0.198 1.995 14.570 1.00 73.55 H new ATOM 0 HB3 LYS A 44 -1.634 1.689 13.614 1.00 73.55 H new ATOM 0 HG2 LYS A 44 -3.024 1.751 15.663 1.00 21.22 H new ATOM 0 HG3 LYS A 44 -1.592 2.023 16.636 1.00 21.22 H new ATOM 0 HD2 LYS A 44 -1.225 4.187 15.713 1.00 60.41 H new ATOM 0 HD3 LYS A 44 -2.269 3.879 14.340 1.00 60.41 H new ATOM 0 HE2 LYS A 44 -3.348 3.883 17.176 1.00 41.33 H new ATOM 0 HE3 LYS A 44 -3.180 5.369 16.262 1.00 41.33 H new ATOM 0 HZ1 LYS A 44 -5.343 3.796 16.197 1.00 3.03 H new ATOM 0 HZ2 LYS A 44 -4.910 4.860 14.947 1.00 3.03 H new ATOM 0 HZ3 LYS A 44 -4.508 3.214 14.838 1.00 3.03 H new ATOM 691 N GLU A 45 -3.201 -0.555 13.951 1.00 71.21 N ATOM 692 CA GLU A 45 -4.534 -1.146 13.992 1.00 42.45 C ATOM 693 C GLU A 45 -4.463 -2.622 14.370 1.00 34.22 C ATOM 694 O GLU A 45 -5.389 -3.164 14.975 1.00 2.14 O ATOM 695 CB GLU A 45 -5.227 -0.988 12.637 1.00 53.22 C ATOM 696 CG GLU A 45 -6.045 0.287 12.516 1.00 1.35 C ATOM 697 CD GLU A 45 -5.187 1.537 12.556 1.00 24.31 C ATOM 698 OE1 GLU A 45 -4.614 1.830 13.626 1.00 14.44 O ATOM 699 OE2 GLU A 45 -5.087 2.221 11.516 1.00 72.42 O ATOM 0 H GLU A 45 -2.975 -0.082 13.076 1.00 71.21 H new ATOM 0 HA GLU A 45 -5.113 -0.622 14.752 1.00 42.45 H new ATOM 0 HB2 GLU A 45 -4.474 -1.002 11.849 1.00 53.22 H new ATOM 0 HB3 GLU A 45 -5.879 -1.845 12.470 1.00 53.22 H new ATOM 0 HG2 GLU A 45 -6.607 0.266 11.582 1.00 1.35 H new ATOM 0 HG3 GLU A 45 -6.774 0.325 13.326 1.00 1.35 H new ATOM 706 N TYR A 46 -3.360 -3.267 14.009 1.00 61.30 N ATOM 707 CA TYR A 46 -3.169 -4.682 14.307 1.00 0.35 C ATOM 708 C TYR A 46 -2.838 -4.887 15.783 1.00 72.34 C ATOM 709 O TYR A 46 -3.293 -5.847 16.404 1.00 31.20 O ATOM 710 CB TYR A 46 -2.053 -5.262 13.437 1.00 2.04 C ATOM 711 CG TYR A 46 -1.602 -6.639 13.869 1.00 32.14 C ATOM 712 CD1 TYR A 46 -0.597 -6.797 14.815 1.00 22.34 C ATOM 713 CD2 TYR A 46 -2.181 -7.782 13.331 1.00 3.22 C ATOM 714 CE1 TYR A 46 -0.181 -8.053 15.213 1.00 72.52 C ATOM 715 CE2 TYR A 46 -1.773 -9.042 13.724 1.00 44.23 C ATOM 716 CZ TYR A 46 -0.772 -9.172 14.664 1.00 34.55 C ATOM 717 OH TYR A 46 -0.362 -10.426 15.057 1.00 10.10 O ATOM 0 H TYR A 46 -2.584 -2.833 13.509 1.00 61.30 H new ATOM 0 HA TYR A 46 -4.100 -5.203 14.086 1.00 0.35 H new ATOM 0 HB2 TYR A 46 -2.397 -5.309 12.404 1.00 2.04 H new ATOM 0 HB3 TYR A 46 -1.198 -4.586 13.458 1.00 2.04 H new ATOM 0 HD1 TYR A 46 -0.133 -5.923 15.247 1.00 22.34 H new ATOM 0 HD2 TYR A 46 -2.963 -7.684 12.593 1.00 3.22 H new ATOM 0 HE1 TYR A 46 0.602 -8.158 15.949 1.00 72.52 H new ATOM 0 HE2 TYR A 46 -2.235 -9.920 13.298 1.00 44.23 H new ATOM 0 HH TYR A 46 -0.773 -11.101 14.478 1.00 10.10 H new ATOM 727 N MET A 47 -2.043 -3.978 16.336 1.00 12.33 N ATOM 728 CA MET A 47 -1.652 -4.057 17.739 1.00 72.30 C ATOM 729 C MET A 47 -2.815 -3.677 18.650 1.00 73.51 C ATOM 730 O MET A 47 -2.885 -4.115 19.799 1.00 14.23 O ATOM 731 CB MET A 47 -0.457 -3.142 18.010 1.00 2.22 C ATOM 732 CG MET A 47 0.805 -3.555 17.271 1.00 62.24 C ATOM 733 SD MET A 47 1.716 -4.856 18.125 1.00 61.14 S ATOM 734 CE MET A 47 2.619 -3.897 19.338 1.00 15.34 C ATOM 0 H MET A 47 -1.657 -3.178 15.835 1.00 12.33 H new ATOM 0 HA MET A 47 -1.367 -5.087 17.953 1.00 72.30 H new ATOM 0 HB2 MET A 47 -0.718 -2.123 17.725 1.00 2.22 H new ATOM 0 HB3 MET A 47 -0.254 -3.131 19.081 1.00 2.22 H new ATOM 0 HG2 MET A 47 0.540 -3.899 16.271 1.00 62.24 H new ATOM 0 HG3 MET A 47 1.451 -2.685 17.148 1.00 62.24 H new ATOM 0 HE1 MET A 47 3.689 -4.053 19.202 1.00 15.34 H new ATOM 0 HE2 MET A 47 2.387 -2.839 19.212 1.00 15.34 H new ATOM 0 HE3 MET A 47 2.331 -4.214 20.340 1.00 15.34 H new ATOM 744 N LEU A 48 -3.726 -2.862 18.130 1.00 2.53 N ATOM 745 CA LEU A 48 -4.886 -2.423 18.897 1.00 14.53 C ATOM 746 C LEU A 48 -6.092 -3.315 18.620 1.00 23.43 C ATOM 747 O LEU A 48 -7.234 -2.858 18.646 1.00 34.23 O ATOM 748 CB LEU A 48 -5.225 -0.970 18.560 1.00 55.51 C ATOM 749 CG LEU A 48 -4.374 0.096 19.251 1.00 51.22 C ATOM 750 CD1 LEU A 48 -2.981 0.144 18.643 1.00 70.53 C ATOM 751 CD2 LEU A 48 -5.046 1.459 19.157 1.00 24.40 C ATOM 0 H LEU A 48 -3.684 -2.492 17.180 1.00 2.53 H new ATOM 0 HA LEU A 48 -4.639 -2.496 19.956 1.00 14.53 H new ATOM 0 HB2 LEU A 48 -5.133 -0.837 17.482 1.00 55.51 H new ATOM 0 HB3 LEU A 48 -6.270 -0.793 18.815 1.00 55.51 H new ATOM 0 HG LEU A 48 -4.280 -0.169 20.304 1.00 51.22 H new ATOM 0 HD11 LEU A 48 -2.390 0.908 19.147 1.00 70.53 H new ATOM 0 HD12 LEU A 48 -2.498 -0.826 18.763 1.00 70.53 H new ATOM 0 HD13 LEU A 48 -3.055 0.384 17.582 1.00 70.53 H new ATOM 0 HD21 LEU A 48 -4.426 2.205 19.654 1.00 24.40 H new ATOM 0 HD22 LEU A 48 -5.172 1.731 18.109 1.00 24.40 H new ATOM 0 HD23 LEU A 48 -6.022 1.418 19.640 1.00 24.40 H new ATOM 763 N ARG A 49 -5.828 -4.591 18.357 1.00 34.23 N ATOM 764 CA ARG A 49 -6.891 -5.549 18.077 1.00 55.43 C ATOM 765 C ARG A 49 -6.930 -6.645 19.138 1.00 51.43 C ATOM 766 O ARG A 49 -5.905 -7.046 19.688 1.00 23.31 O ATOM 767 CB ARG A 49 -6.695 -6.170 16.693 1.00 63.41 C ATOM 768 CG ARG A 49 -7.435 -5.439 15.585 1.00 14.35 C ATOM 769 CD ARG A 49 -6.924 -5.843 14.212 1.00 60.14 C ATOM 770 NE ARG A 49 -7.976 -5.795 13.200 1.00 33.31 N ATOM 771 CZ ARG A 49 -7.827 -6.253 11.962 1.00 42.10 C ATOM 772 NH1 ARG A 49 -6.675 -6.790 11.585 1.00 62.02 N ATOM 773 NH2 ARG A 49 -8.831 -6.174 11.098 1.00 32.15 N ATOM 0 H ARG A 49 -4.888 -4.985 18.332 1.00 34.23 H new ATOM 0 HA ARG A 49 -7.841 -5.015 18.097 1.00 55.43 H new ATOM 0 HB2 ARG A 49 -5.631 -6.185 16.459 1.00 63.41 H new ATOM 0 HB3 ARG A 49 -7.030 -7.207 16.719 1.00 63.41 H new ATOM 0 HG2 ARG A 49 -8.501 -5.654 15.655 1.00 14.35 H new ATOM 0 HG3 ARG A 49 -7.317 -4.363 15.716 1.00 14.35 H new ATOM 0 HD2 ARG A 49 -6.109 -5.181 13.919 1.00 60.14 H new ATOM 0 HD3 ARG A 49 -6.513 -6.852 14.260 1.00 60.14 H new ATOM 0 HE ARG A 49 -8.875 -5.387 13.458 1.00 33.31 H new ATOM 0 HH11 ARG A 49 -5.901 -6.852 12.246 1.00 62.02 H new ATOM 0 HH12 ARG A 49 -6.563 -7.141 10.634 1.00 62.02 H new ATOM 0 HH21 ARG A 49 -9.719 -5.761 11.384 1.00 32.15 H new ATOM 0 HH22 ARG A 49 -8.715 -6.526 10.148 1.00 32.15 H new ATOM 787 N PRO A 50 -8.141 -7.140 19.433 1.00 70.20 N ATOM 788 CA PRO A 50 -8.343 -8.196 20.430 1.00 43.03 C ATOM 789 C PRO A 50 -7.796 -9.542 19.967 1.00 74.32 C ATOM 790 O PRO A 50 -7.157 -10.261 20.735 1.00 40.21 O ATOM 791 CB PRO A 50 -9.865 -8.259 20.577 1.00 10.30 C ATOM 792 CG PRO A 50 -10.392 -7.744 19.282 1.00 14.34 C ATOM 793 CD PRO A 50 -9.407 -6.708 18.816 1.00 25.41 C ATOM 0 HA PRO A 50 -7.820 -7.982 21.362 1.00 43.03 H new ATOM 0 HB2 PRO A 50 -10.203 -9.278 20.765 1.00 10.30 H new ATOM 0 HB3 PRO A 50 -10.207 -7.650 21.414 1.00 10.30 H new ATOM 0 HG2 PRO A 50 -10.487 -8.548 18.552 1.00 14.34 H new ATOM 0 HG3 PRO A 50 -11.384 -7.310 19.409 1.00 14.34 H new ATOM 0 HD2 PRO A 50 -9.336 -6.681 17.729 1.00 25.41 H new ATOM 0 HD3 PRO A 50 -9.692 -5.707 19.141 1.00 25.41 H new ATOM 801 N SER A 51 -8.052 -9.878 18.706 1.00 12.33 N ATOM 802 CA SER A 51 -7.589 -11.140 18.142 1.00 4.10 C ATOM 803 C SER A 51 -6.101 -11.342 18.412 1.00 2.15 C ATOM 804 O SER A 51 -5.664 -12.440 18.759 1.00 53.32 O ATOM 805 CB SER A 51 -7.855 -11.178 16.636 1.00 45.21 C ATOM 806 OG SER A 51 -7.990 -12.511 16.175 1.00 35.04 O ATOM 0 H SER A 51 -8.578 -9.293 18.056 1.00 12.33 H new ATOM 0 HA SER A 51 -8.141 -11.948 18.622 1.00 4.10 H new ATOM 0 HB2 SER A 51 -8.762 -10.618 16.410 1.00 45.21 H new ATOM 0 HB3 SER A 51 -7.038 -10.688 16.107 1.00 45.21 H new ATOM 0 HG SER A 51 -8.161 -12.508 15.210 1.00 35.04 H new ATOM 812 N VAL A 52 -5.326 -10.274 18.252 1.00 51.34 N ATOM 813 CA VAL A 52 -3.887 -10.332 18.479 1.00 51.30 C ATOM 814 C VAL A 52 -3.573 -10.618 19.943 1.00 32.50 C ATOM 815 O VAL A 52 -3.877 -9.814 20.823 1.00 74.04 O ATOM 816 CB VAL A 52 -3.200 -9.016 18.066 1.00 31.41 C ATOM 817 CG1 VAL A 52 -1.708 -9.080 18.355 1.00 51.51 C ATOM 818 CG2 VAL A 52 -3.455 -8.722 16.596 1.00 41.53 C ATOM 0 H VAL A 52 -5.671 -9.358 17.966 1.00 51.34 H new ATOM 0 HA VAL A 52 -3.502 -11.144 17.862 1.00 51.30 H new ATOM 0 HB VAL A 52 -3.625 -8.203 18.655 1.00 31.41 H new ATOM 0 HG11 VAL A 52 -1.239 -8.142 18.057 1.00 51.51 H new ATOM 0 HG12 VAL A 52 -1.551 -9.242 19.421 1.00 51.51 H new ATOM 0 HG13 VAL A 52 -1.264 -9.902 17.794 1.00 51.51 H new ATOM 0 HG21 VAL A 52 -2.963 -7.789 16.321 1.00 41.53 H new ATOM 0 HG22 VAL A 52 -3.058 -9.535 15.988 1.00 41.53 H new ATOM 0 HG23 VAL A 52 -4.527 -8.631 16.424 1.00 41.53 H new ATOM 828 N ASN A 53 -2.962 -11.771 20.197 1.00 62.13 N ATOM 829 CA ASN A 53 -2.606 -12.165 21.555 1.00 11.22 C ATOM 830 C ASN A 53 -1.457 -11.313 22.085 1.00 4.00 C ATOM 831 O ASN A 53 -0.825 -10.567 21.336 1.00 1.32 O ATOM 832 CB ASN A 53 -2.219 -13.645 21.595 1.00 55.42 C ATOM 833 CG ASN A 53 -2.966 -14.408 22.672 1.00 64.43 C ATOM 834 OD1 ASN A 53 -2.357 -15.001 23.563 1.00 50.11 O ATOM 835 ND2 ASN A 53 -4.291 -14.398 22.594 1.00 72.05 N ATOM 0 H ASN A 53 -2.703 -12.449 19.480 1.00 62.13 H new ATOM 0 HA ASN A 53 -3.476 -12.007 22.192 1.00 11.22 H new ATOM 0 HB2 ASN A 53 -2.423 -14.098 20.625 1.00 55.42 H new ATOM 0 HB3 ASN A 53 -1.146 -13.733 21.768 1.00 55.42 H new ATOM 0 HD21 ASN A 53 -4.847 -14.895 23.290 1.00 72.05 H new ATOM 0 HD22 ASN A 53 -4.754 -13.893 21.838 1.00 72.05 H new ATOM 842 N THR A 54 -1.190 -11.430 23.382 1.00 4.22 N ATOM 843 CA THR A 54 -0.117 -10.671 24.013 1.00 31.01 C ATOM 844 C THR A 54 1.230 -10.985 23.372 1.00 74.12 C ATOM 845 O THR A 54 2.016 -10.083 23.084 1.00 2.21 O ATOM 846 CB THR A 54 -0.035 -10.964 25.523 1.00 23.11 C ATOM 847 OG1 THR A 54 -1.098 -11.841 25.911 1.00 54.12 O ATOM 848 CG2 THR A 54 -0.113 -9.676 26.329 1.00 23.53 C ATOM 0 H THR A 54 -1.702 -12.043 24.016 1.00 4.22 H new ATOM 0 HA THR A 54 -0.348 -9.616 23.867 1.00 31.01 H new ATOM 0 HB THR A 54 0.923 -11.444 25.726 1.00 23.11 H new ATOM 0 HG1 THR A 54 -1.037 -12.023 26.872 1.00 54.12 H new ATOM 0 HG21 THR A 54 -0.053 -9.908 27.392 1.00 23.53 H new ATOM 0 HG22 THR A 54 0.715 -9.023 26.053 1.00 23.53 H new ATOM 0 HG23 THR A 54 -1.057 -9.173 26.120 1.00 23.53 H new ATOM 856 N ARG A 55 1.489 -12.270 23.150 1.00 52.54 N ATOM 857 CA ARG A 55 2.742 -12.702 22.542 1.00 34.22 C ATOM 858 C ARG A 55 2.997 -11.959 21.234 1.00 34.21 C ATOM 859 O ARG A 55 4.055 -11.360 21.045 1.00 3.13 O ATOM 860 CB ARG A 55 2.716 -14.210 22.288 1.00 75.41 C ATOM 861 CG ARG A 55 3.298 -15.030 23.428 1.00 74.54 C ATOM 862 CD ARG A 55 3.341 -16.511 23.083 1.00 11.02 C ATOM 863 NE ARG A 55 4.309 -16.800 22.029 1.00 44.52 N ATOM 864 CZ ARG A 55 4.444 -17.993 21.461 1.00 51.10 C ATOM 865 NH1 ARG A 55 3.676 -19.003 21.844 1.00 73.30 N ATOM 866 NH2 ARG A 55 5.348 -18.177 20.508 1.00 61.15 N ATOM 0 H ARG A 55 0.848 -13.029 23.382 1.00 52.54 H new ATOM 0 HA ARG A 55 3.552 -12.471 23.234 1.00 34.22 H new ATOM 0 HB2 ARG A 55 1.686 -14.523 22.115 1.00 75.41 H new ATOM 0 HB3 ARG A 55 3.272 -14.426 21.376 1.00 75.41 H new ATOM 0 HG2 ARG A 55 4.305 -14.678 23.654 1.00 74.54 H new ATOM 0 HG3 ARG A 55 2.700 -14.882 24.327 1.00 74.54 H new ATOM 0 HD2 ARG A 55 3.595 -17.084 23.975 1.00 11.02 H new ATOM 0 HD3 ARG A 55 2.351 -16.838 22.765 1.00 11.02 H new ATOM 0 HE ARG A 55 4.915 -16.044 21.711 1.00 44.52 H new ATOM 0 HH11 ARG A 55 2.980 -18.865 22.576 1.00 73.30 H new ATOM 0 HH12 ARG A 55 3.781 -19.918 21.406 1.00 73.30 H new ATOM 0 HH21 ARG A 55 5.941 -17.402 20.211 1.00 61.15 H new ATOM 0 HH22 ARG A 55 5.451 -19.094 20.073 1.00 61.15 H new ATOM 880 N ARG A 56 2.020 -12.004 20.334 1.00 13.31 N ATOM 881 CA ARG A 56 2.139 -11.337 19.043 1.00 0.43 C ATOM 882 C ARG A 56 2.503 -9.866 19.223 1.00 10.31 C ATOM 883 O ARG A 56 3.358 -9.335 18.514 1.00 24.11 O ATOM 884 CB ARG A 56 0.831 -11.457 18.260 1.00 35.20 C ATOM 885 CG ARG A 56 0.598 -12.839 17.671 1.00 23.12 C ATOM 886 CD ARG A 56 -0.867 -13.060 17.328 1.00 3.53 C ATOM 887 NE ARG A 56 -1.261 -14.457 17.486 1.00 53.24 N ATOM 888 CZ ARG A 56 -2.525 -14.862 17.536 1.00 73.34 C ATOM 889 NH1 ARG A 56 -3.512 -13.982 17.441 1.00 42.43 N ATOM 890 NH2 ARG A 56 -2.805 -16.151 17.680 1.00 25.42 N ATOM 0 H ARG A 56 1.137 -12.495 20.475 1.00 13.31 H new ATOM 0 HA ARG A 56 2.936 -11.825 18.482 1.00 0.43 H new ATOM 0 HB2 ARG A 56 -0.001 -11.207 18.918 1.00 35.20 H new ATOM 0 HB3 ARG A 56 0.831 -10.723 17.454 1.00 35.20 H new ATOM 0 HG2 ARG A 56 1.205 -12.960 16.774 1.00 23.12 H new ATOM 0 HG3 ARG A 56 0.925 -13.598 18.382 1.00 23.12 H new ATOM 0 HD2 ARG A 56 -1.488 -12.434 17.969 1.00 3.53 H new ATOM 0 HD3 ARG A 56 -1.050 -12.746 16.301 1.00 3.53 H new ATOM 0 HE ARG A 56 -0.526 -15.160 17.562 1.00 53.24 H new ATOM 0 HH11 ARG A 56 -3.302 -12.990 17.329 1.00 42.43 H new ATOM 0 HH12 ARG A 56 -4.481 -14.297 17.480 1.00 42.43 H new ATOM 0 HH21 ARG A 56 -2.049 -16.832 17.752 1.00 25.42 H new ATOM 0 HH22 ARG A 56 -3.776 -16.461 17.718 1.00 25.42 H new ATOM 904 N LYS A 57 1.847 -9.212 20.176 1.00 43.41 N ATOM 905 CA LYS A 57 2.101 -7.802 20.451 1.00 61.33 C ATOM 906 C LYS A 57 3.520 -7.596 20.970 1.00 24.20 C ATOM 907 O LYS A 57 4.251 -6.732 20.484 1.00 50.13 O ATOM 908 CB LYS A 57 1.091 -7.270 21.470 1.00 23.42 C ATOM 909 CG LYS A 57 -0.275 -6.975 20.876 1.00 42.42 C ATOM 910 CD LYS A 57 -1.394 -7.373 21.824 1.00 45.41 C ATOM 911 CE LYS A 57 -2.680 -6.622 21.515 1.00 43.13 C ATOM 912 NZ LYS A 57 -2.828 -5.405 22.359 1.00 12.53 N ATOM 0 H LYS A 57 1.135 -9.636 20.771 1.00 43.41 H new ATOM 0 HA LYS A 57 1.991 -7.250 19.518 1.00 61.33 H new ATOM 0 HB2 LYS A 57 0.979 -7.999 22.273 1.00 23.42 H new ATOM 0 HB3 LYS A 57 1.487 -6.359 21.920 1.00 23.42 H new ATOM 0 HG2 LYS A 57 -0.351 -5.912 20.648 1.00 42.42 H new ATOM 0 HG3 LYS A 57 -0.387 -7.512 19.934 1.00 42.42 H new ATOM 0 HD2 LYS A 57 -1.571 -8.446 21.749 1.00 45.41 H new ATOM 0 HD3 LYS A 57 -1.091 -7.171 22.851 1.00 45.41 H new ATOM 0 HE2 LYS A 57 -2.691 -6.338 20.463 1.00 43.13 H new ATOM 0 HE3 LYS A 57 -3.533 -7.281 21.676 1.00 43.13 H new ATOM 0 HZ1 LYS A 57 -3.689 -5.486 22.937 1.00 12.53 H new ATOM 0 HZ2 LYS A 57 -2.000 -5.312 22.982 1.00 12.53 H new ATOM 0 HZ3 LYS A 57 -2.899 -4.566 21.749 1.00 12.53 H new ATOM 926 N LEU A 58 3.905 -8.395 21.959 1.00 64.42 N ATOM 927 CA LEU A 58 5.239 -8.302 22.543 1.00 12.33 C ATOM 928 C LEU A 58 6.312 -8.352 21.461 1.00 5.20 C ATOM 929 O LEU A 58 7.259 -7.563 21.473 1.00 31.54 O ATOM 930 CB LEU A 58 5.458 -9.434 23.548 1.00 74.54 C ATOM 931 CG LEU A 58 6.788 -9.416 24.301 1.00 42.11 C ATOM 932 CD1 LEU A 58 7.891 -10.027 23.451 1.00 22.31 C ATOM 933 CD2 LEU A 58 7.151 -7.995 24.707 1.00 20.15 C ATOM 0 H LEU A 58 3.313 -9.115 22.373 1.00 64.42 H new ATOM 0 HA LEU A 58 5.316 -7.346 23.061 1.00 12.33 H new ATOM 0 HB2 LEU A 58 4.650 -9.405 24.279 1.00 74.54 H new ATOM 0 HB3 LEU A 58 5.376 -10.383 23.019 1.00 74.54 H new ATOM 0 HG LEU A 58 6.680 -10.015 25.205 1.00 42.11 H new ATOM 0 HD11 LEU A 58 8.830 -10.005 24.004 1.00 22.31 H new ATOM 0 HD12 LEU A 58 7.635 -11.059 23.210 1.00 22.31 H new ATOM 0 HD13 LEU A 58 7.999 -9.455 22.529 1.00 22.31 H new ATOM 0 HD21 LEU A 58 8.101 -8.001 25.242 1.00 20.15 H new ATOM 0 HD22 LEU A 58 7.240 -7.374 23.816 1.00 20.15 H new ATOM 0 HD23 LEU A 58 6.372 -7.591 25.354 1.00 20.15 H new ATOM 945 N LEU A 59 6.158 -9.282 20.525 1.00 44.52 N ATOM 946 CA LEU A 59 7.114 -9.433 19.433 1.00 74.33 C ATOM 947 C LEU A 59 7.045 -8.244 18.480 1.00 74.43 C ATOM 948 O LEU A 59 8.071 -7.719 18.051 1.00 61.33 O ATOM 949 CB LEU A 59 6.843 -10.730 18.669 1.00 73.54 C ATOM 950 CG LEU A 59 6.844 -12.013 19.501 1.00 14.24 C ATOM 951 CD1 LEU A 59 6.214 -13.157 18.721 1.00 2.53 C ATOM 952 CD2 LEU A 59 8.260 -12.371 19.927 1.00 31.13 C ATOM 0 H LEU A 59 5.381 -9.942 20.500 1.00 44.52 H new ATOM 0 HA LEU A 59 8.115 -9.473 19.862 1.00 74.33 H new ATOM 0 HB2 LEU A 59 5.875 -10.642 18.176 1.00 73.54 H new ATOM 0 HB3 LEU A 59 7.593 -10.829 17.884 1.00 73.54 H new ATOM 0 HG LEU A 59 6.248 -11.842 20.398 1.00 14.24 H new ATOM 0 HD11 LEU A 59 6.224 -14.061 19.330 1.00 2.53 H new ATOM 0 HD12 LEU A 59 5.185 -12.901 18.468 1.00 2.53 H new ATOM 0 HD13 LEU A 59 6.781 -13.329 17.806 1.00 2.53 H new ATOM 0 HD21 LEU A 59 8.242 -13.287 20.518 1.00 31.13 H new ATOM 0 HD22 LEU A 59 8.879 -12.523 19.043 1.00 31.13 H new ATOM 0 HD23 LEU A 59 8.676 -11.561 20.526 1.00 31.13 H new ATOM 964 N GLY A 60 5.826 -7.823 18.154 1.00 61.30 N ATOM 965 CA GLY A 60 5.646 -6.698 17.256 1.00 53.13 C ATOM 966 C GLY A 60 6.403 -5.466 17.710 1.00 22.11 C ATOM 967 O GLY A 60 7.070 -4.808 16.911 1.00 63.14 O ATOM 0 H GLY A 60 4.961 -8.241 18.496 1.00 61.30 H new ATOM 0 HA2 GLY A 60 5.980 -6.978 16.257 1.00 53.13 H new ATOM 0 HA3 GLY A 60 4.584 -6.462 17.183 1.00 53.13 H new ATOM 971 N LEU A 61 6.300 -5.151 18.997 1.00 60.34 N ATOM 972 CA LEU A 61 6.980 -3.988 19.557 1.00 71.54 C ATOM 973 C LEU A 61 8.487 -4.081 19.339 1.00 73.25 C ATOM 974 O LEU A 61 9.134 -3.097 18.982 1.00 43.32 O ATOM 975 CB LEU A 61 6.676 -3.866 21.051 1.00 51.02 C ATOM 976 CG LEU A 61 6.686 -2.448 21.624 1.00 73.33 C ATOM 977 CD1 LEU A 61 8.071 -1.833 21.502 1.00 50.22 C ATOM 978 CD2 LEU A 61 5.651 -1.582 20.920 1.00 3.33 C ATOM 0 H LEU A 61 5.752 -5.685 19.672 1.00 60.34 H new ATOM 0 HA LEU A 61 6.611 -3.100 19.044 1.00 71.54 H new ATOM 0 HB2 LEU A 61 5.697 -4.306 21.239 1.00 51.02 H new ATOM 0 HB3 LEU A 61 7.404 -4.463 21.600 1.00 51.02 H new ATOM 0 HG LEU A 61 6.427 -2.501 22.681 1.00 73.33 H new ATOM 0 HD11 LEU A 61 8.059 -0.824 21.915 1.00 50.22 H new ATOM 0 HD12 LEU A 61 8.789 -2.441 22.052 1.00 50.22 H new ATOM 0 HD13 LEU A 61 8.360 -1.792 20.452 1.00 50.22 H new ATOM 0 HD21 LEU A 61 5.672 -0.576 21.340 1.00 3.33 H new ATOM 0 HD22 LEU A 61 5.879 -1.535 19.855 1.00 3.33 H new ATOM 0 HD23 LEU A 61 4.660 -2.013 21.060 1.00 3.33 H new ATOM 990 N TYR A 62 9.038 -5.271 19.553 1.00 10.51 N ATOM 991 CA TYR A 62 10.469 -5.492 19.380 1.00 33.12 C ATOM 992 C TYR A 62 10.871 -5.335 17.917 1.00 25.01 C ATOM 993 O TYR A 62 11.960 -4.848 17.609 1.00 22.21 O ATOM 994 CB TYR A 62 10.854 -6.885 19.880 1.00 24.32 C ATOM 995 CG TYR A 62 11.224 -6.922 21.346 1.00 41.21 C ATOM 996 CD1 TYR A 62 12.281 -6.165 21.835 1.00 5.01 C ATOM 997 CD2 TYR A 62 10.515 -7.713 22.242 1.00 51.43 C ATOM 998 CE1 TYR A 62 12.623 -6.196 23.173 1.00 20.03 C ATOM 999 CE2 TYR A 62 10.848 -7.749 23.582 1.00 45.32 C ATOM 1000 CZ TYR A 62 11.904 -6.989 24.043 1.00 75.14 C ATOM 1001 OH TYR A 62 12.240 -7.022 25.377 1.00 53.34 O ATOM 0 H TYR A 62 8.516 -6.097 19.846 1.00 10.51 H new ATOM 0 HA TYR A 62 11.001 -4.743 19.966 1.00 33.12 H new ATOM 0 HB2 TYR A 62 10.021 -7.567 19.707 1.00 24.32 H new ATOM 0 HB3 TYR A 62 11.695 -7.253 19.292 1.00 24.32 H new ATOM 0 HD1 TYR A 62 12.845 -5.541 21.157 1.00 5.01 H new ATOM 0 HD2 TYR A 62 9.689 -8.310 21.884 1.00 51.43 H new ATOM 0 HE1 TYR A 62 13.449 -5.602 23.536 1.00 20.03 H new ATOM 0 HE2 TYR A 62 10.285 -8.368 24.265 1.00 45.32 H new ATOM 0 HH TYR A 62 11.634 -7.629 25.852 1.00 53.34 H new ATOM 1011 N LEU A 63 9.985 -5.750 17.019 1.00 63.22 N ATOM 1012 CA LEU A 63 10.246 -5.656 15.587 1.00 41.25 C ATOM 1013 C LEU A 63 10.286 -4.199 15.135 1.00 34.41 C ATOM 1014 O LEU A 63 11.269 -3.748 14.549 1.00 51.40 O ATOM 1015 CB LEU A 63 9.175 -6.416 14.802 1.00 2.10 C ATOM 1016 CG LEU A 63 9.340 -6.429 13.282 1.00 75.22 C ATOM 1017 CD1 LEU A 63 10.534 -7.282 12.881 1.00 14.44 C ATOM 1018 CD2 LEU A 63 8.071 -6.937 12.613 1.00 72.33 C ATOM 0 H LEU A 63 9.080 -6.155 17.257 1.00 63.22 H new ATOM 0 HA LEU A 63 11.219 -6.105 15.390 1.00 41.25 H new ATOM 0 HB2 LEU A 63 9.158 -7.447 15.154 1.00 2.10 H new ATOM 0 HB3 LEU A 63 8.203 -5.982 15.038 1.00 2.10 H new ATOM 0 HG LEU A 63 9.521 -5.408 12.947 1.00 75.22 H new ATOM 0 HD11 LEU A 63 10.635 -7.279 11.796 1.00 14.44 H new ATOM 0 HD12 LEU A 63 11.439 -6.875 13.331 1.00 14.44 H new ATOM 0 HD13 LEU A 63 10.384 -8.304 13.229 1.00 14.44 H new ATOM 0 HD21 LEU A 63 8.206 -6.940 11.531 1.00 72.33 H new ATOM 0 HD22 LEU A 63 7.860 -7.950 12.955 1.00 72.33 H new ATOM 0 HD23 LEU A 63 7.237 -6.285 12.873 1.00 72.33 H new ATOM 1030 N MET A 64 9.211 -3.469 15.414 1.00 33.41 N ATOM 1031 CA MET A 64 9.124 -2.063 15.039 1.00 5.45 C ATOM 1032 C MET A 64 10.221 -1.250 15.721 1.00 61.40 C ATOM 1033 O MET A 64 10.692 -0.250 15.181 1.00 33.21 O ATOM 1034 CB MET A 64 7.751 -1.498 15.408 1.00 3.23 C ATOM 1035 CG MET A 64 7.629 -1.103 16.871 1.00 24.32 C ATOM 1036 SD MET A 64 7.984 0.642 17.152 1.00 51.12 S ATOM 1037 CE MET A 64 7.334 0.858 18.807 1.00 63.20 C ATOM 0 H MET A 64 8.388 -3.828 15.898 1.00 33.41 H new ATOM 0 HA MET A 64 9.260 -1.992 13.960 1.00 5.45 H new ATOM 0 HB2 MET A 64 7.547 -0.626 14.787 1.00 3.23 H new ATOM 0 HB3 MET A 64 6.987 -2.240 15.176 1.00 3.23 H new ATOM 0 HG2 MET A 64 6.621 -1.325 17.220 1.00 24.32 H new ATOM 0 HG3 MET A 64 8.313 -1.709 17.465 1.00 24.32 H new ATOM 0 HE1 MET A 64 7.366 1.914 19.076 1.00 63.20 H new ATOM 0 HE2 MET A 64 6.303 0.506 18.842 1.00 63.20 H new ATOM 0 HE3 MET A 64 7.937 0.286 19.512 1.00 63.20 H new ATOM 1047 N ASN A 65 10.623 -1.687 16.910 1.00 31.51 N ATOM 1048 CA ASN A 65 11.664 -1.000 17.665 1.00 12.35 C ATOM 1049 C ASN A 65 13.022 -1.158 16.988 1.00 12.05 C ATOM 1050 O ASN A 65 13.756 -0.185 16.810 1.00 31.42 O ATOM 1051 CB ASN A 65 11.728 -1.541 19.095 1.00 32.30 C ATOM 1052 CG ASN A 65 12.620 -0.704 19.991 1.00 15.32 C ATOM 1053 OD1 ASN A 65 12.763 0.502 19.791 1.00 53.45 O ATOM 1054 ND2 ASN A 65 13.224 -1.342 20.986 1.00 3.35 N ATOM 0 H ASN A 65 10.244 -2.514 17.371 1.00 31.51 H new ATOM 0 HA ASN A 65 11.415 0.061 17.696 1.00 12.35 H new ATOM 0 HB2 ASN A 65 10.722 -1.571 19.514 1.00 32.30 H new ATOM 0 HB3 ASN A 65 12.096 -2.567 19.076 1.00 32.30 H new ATOM 0 HD21 ASN A 65 13.836 -0.831 21.623 1.00 3.35 H new ATOM 0 HD22 ASN A 65 13.076 -2.343 21.114 1.00 3.35 H new ATOM 1061 N HIS A 66 13.350 -2.390 16.613 1.00 74.24 N ATOM 1062 CA HIS A 66 14.619 -2.676 15.954 1.00 61.22 C ATOM 1063 C HIS A 66 14.672 -2.031 14.572 1.00 34.21 C ATOM 1064 O HIS A 66 15.735 -1.622 14.106 1.00 24.55 O ATOM 1065 CB HIS A 66 14.826 -4.186 15.833 1.00 61.34 C ATOM 1066 CG HIS A 66 16.264 -4.585 15.701 1.00 72.03 C ATOM 1067 ND1 HIS A 66 17.253 -4.124 16.543 1.00 1.12 N ATOM 1068 CD2 HIS A 66 16.877 -5.408 14.818 1.00 33.43 C ATOM 1069 CE1 HIS A 66 18.413 -4.645 16.184 1.00 54.12 C ATOM 1070 NE2 HIS A 66 18.212 -5.429 15.140 1.00 54.53 N ATOM 0 H HIS A 66 12.755 -3.206 16.754 1.00 74.24 H new ATOM 0 HA HIS A 66 15.419 -2.255 16.563 1.00 61.22 H new ATOM 0 HB2 HIS A 66 14.401 -4.674 16.710 1.00 61.34 H new ATOM 0 HB3 HIS A 66 14.275 -4.552 14.967 1.00 61.34 H new ATOM 0 HD2 HIS A 66 16.404 -5.948 14.011 1.00 33.43 H new ATOM 0 HE1 HIS A 66 19.364 -4.461 16.663 1.00 54.12 H new ATOM 0 HE2 HIS A 66 18.931 -5.963 14.652 1.00 54.53 H new ATOM 1078 N VAL A 67 13.516 -1.944 13.921 1.00 41.22 N ATOM 1079 CA VAL A 67 13.430 -1.348 12.593 1.00 63.33 C ATOM 1080 C VAL A 67 13.683 0.154 12.647 1.00 42.14 C ATOM 1081 O VAL A 67 14.561 0.672 11.956 1.00 1.12 O ATOM 1082 CB VAL A 67 12.053 -1.603 11.951 1.00 24.31 C ATOM 1083 CG1 VAL A 67 11.952 -0.900 10.606 1.00 23.12 C ATOM 1084 CG2 VAL A 67 11.804 -3.097 11.801 1.00 3.53 C ATOM 0 H VAL A 67 12.627 -2.279 14.292 1.00 41.22 H new ATOM 0 HA VAL A 67 14.200 -1.821 11.984 1.00 63.33 H new ATOM 0 HB VAL A 67 11.284 -1.193 12.606 1.00 24.31 H new ATOM 0 HG11 VAL A 67 10.973 -1.092 10.168 1.00 23.12 H new ATOM 0 HG12 VAL A 67 12.083 0.173 10.746 1.00 23.12 H new ATOM 0 HG13 VAL A 67 12.728 -1.277 9.939 1.00 23.12 H new ATOM 0 HG21 VAL A 67 10.827 -3.259 11.346 1.00 3.53 H new ATOM 0 HG22 VAL A 67 12.576 -3.533 11.167 1.00 3.53 H new ATOM 0 HG23 VAL A 67 11.830 -3.571 12.782 1.00 3.53 H new ATOM 1094 N VAL A 68 12.908 0.850 13.472 1.00 20.14 N ATOM 1095 CA VAL A 68 13.049 2.294 13.618 1.00 33.24 C ATOM 1096 C VAL A 68 14.418 2.658 14.181 1.00 50.53 C ATOM 1097 O VAL A 68 14.985 3.694 13.835 1.00 43.30 O ATOM 1098 CB VAL A 68 11.957 2.874 14.538 1.00 64.14 C ATOM 1099 CG1 VAL A 68 10.574 2.572 13.981 1.00 23.53 C ATOM 1100 CG2 VAL A 68 12.104 2.327 15.949 1.00 25.14 C ATOM 0 H VAL A 68 12.176 0.437 14.050 1.00 20.14 H new ATOM 0 HA VAL A 68 12.942 2.725 12.623 1.00 33.24 H new ATOM 0 HB VAL A 68 12.077 3.957 14.579 1.00 64.14 H new ATOM 0 HG11 VAL A 68 9.816 2.989 14.644 1.00 23.53 H new ATOM 0 HG12 VAL A 68 10.475 3.017 12.991 1.00 23.53 H new ATOM 0 HG13 VAL A 68 10.439 1.493 13.909 1.00 23.53 H new ATOM 0 HG21 VAL A 68 11.325 2.747 16.585 1.00 25.14 H new ATOM 0 HG22 VAL A 68 12.011 1.241 15.930 1.00 25.14 H new ATOM 0 HG23 VAL A 68 13.082 2.600 16.345 1.00 25.14 H new ATOM 1110 N GLN A 69 14.943 1.800 15.049 1.00 70.33 N ATOM 1111 CA GLN A 69 16.247 2.032 15.659 1.00 14.22 C ATOM 1112 C GLN A 69 17.359 1.940 14.620 1.00 72.42 C ATOM 1113 O GLN A 69 18.221 2.814 14.541 1.00 1.03 O ATOM 1114 CB GLN A 69 16.495 1.022 16.781 1.00 43.41 C ATOM 1115 CG GLN A 69 15.965 1.472 18.133 1.00 60.12 C ATOM 1116 CD GLN A 69 16.377 0.544 19.259 1.00 11.40 C ATOM 1117 OE1 GLN A 69 15.472 0.324 20.205 1.00 64.24 O flip ATOM 1118 NE2 GLN A 69 17.496 0.032 19.279 1.00 30.54 N flip ATOM 0 H GLN A 69 14.486 0.938 15.346 1.00 70.33 H new ATOM 0 HA GLN A 69 16.250 3.038 16.078 1.00 14.22 H new ATOM 0 HB2 GLN A 69 16.028 0.074 16.515 1.00 43.41 H new ATOM 0 HB3 GLN A 69 17.566 0.838 16.863 1.00 43.41 H new ATOM 0 HG2 GLN A 69 16.328 2.478 18.345 1.00 60.12 H new ATOM 0 HG3 GLN A 69 14.877 1.528 18.093 1.00 60.12 H new ATOM 0 HE21 GLN A 69 18.160 0.229 18.531 1.00 30.54 H new ATOM 0 HE22 GLN A 69 17.759 -0.589 20.044 1.00 30.54 H new ATOM 1127 N GLN A 70 17.332 0.875 13.825 1.00 70.31 N ATOM 1128 CA GLN A 70 18.339 0.668 12.791 1.00 3.31 C ATOM 1129 C GLN A 70 18.151 1.655 11.643 1.00 22.32 C ATOM 1130 O GLN A 70 19.115 2.051 10.989 1.00 51.15 O ATOM 1131 CB GLN A 70 18.272 -0.766 12.263 1.00 1.21 C ATOM 1132 CG GLN A 70 19.097 -1.752 13.074 1.00 44.11 C ATOM 1133 CD GLN A 70 20.519 -1.881 12.564 1.00 2.20 C ATOM 1134 OE1 GLN A 70 21.478 -1.644 13.299 1.00 24.51 O ATOM 1135 NE2 GLN A 70 20.663 -2.258 11.299 1.00 51.41 N ATOM 0 H GLN A 70 16.624 0.143 13.877 1.00 70.31 H new ATOM 0 HA GLN A 70 19.320 0.838 13.235 1.00 3.31 H new ATOM 0 HB2 GLN A 70 17.232 -1.094 12.257 1.00 1.21 H new ATOM 0 HB3 GLN A 70 18.617 -0.780 11.229 1.00 1.21 H new ATOM 0 HG2 GLN A 70 19.116 -1.433 14.116 1.00 44.11 H new ATOM 0 HG3 GLN A 70 18.616 -2.730 13.049 1.00 44.11 H new ATOM 0 HE21 GLN A 70 19.840 -2.444 10.726 1.00 51.41 H new ATOM 0 HE22 GLN A 70 21.596 -2.361 10.901 1.00 51.41 H new ATOM 1144 N ALA A 71 16.904 2.047 11.405 1.00 71.54 N ATOM 1145 CA ALA A 71 16.590 2.988 10.337 1.00 71.22 C ATOM 1146 C ALA A 71 17.461 4.236 10.431 1.00 65.50 C ATOM 1147 O ALA A 71 17.764 4.872 9.421 1.00 11.25 O ATOM 1148 CB ALA A 71 15.117 3.366 10.383 1.00 71.22 C ATOM 0 H ALA A 71 16.095 1.728 11.937 1.00 71.54 H new ATOM 0 HA ALA A 71 16.800 2.501 9.385 1.00 71.22 H new ATOM 0 HB1 ALA A 71 14.897 4.069 9.580 1.00 71.22 H new ATOM 0 HB2 ALA A 71 14.508 2.471 10.259 1.00 71.22 H new ATOM 0 HB3 ALA A 71 14.890 3.829 11.343 1.00 71.22 H new ATOM 1154 N LYS A 72 17.862 4.581 11.650 1.00 64.12 N ATOM 1155 CA LYS A 72 18.700 5.753 11.877 1.00 60.51 C ATOM 1156 C LYS A 72 19.967 5.688 11.029 1.00 15.43 C ATOM 1157 O LYS A 72 20.394 6.690 10.457 1.00 13.44 O ATOM 1158 CB LYS A 72 19.070 5.861 13.358 1.00 53.30 C ATOM 1159 CG LYS A 72 18.104 6.711 14.165 1.00 34.02 C ATOM 1160 CD LYS A 72 18.693 7.099 15.511 1.00 35.53 C ATOM 1161 CE LYS A 72 19.540 8.357 15.407 1.00 3.02 C ATOM 1162 NZ LYS A 72 20.953 8.046 15.054 1.00 3.41 N ATOM 0 H LYS A 72 17.620 4.066 12.496 1.00 64.12 H new ATOM 0 HA LYS A 72 18.133 6.637 11.585 1.00 60.51 H new ATOM 0 HB2 LYS A 72 19.108 4.860 13.789 1.00 53.30 H new ATOM 0 HB3 LYS A 72 20.071 6.283 13.444 1.00 53.30 H new ATOM 0 HG2 LYS A 72 17.853 7.611 13.603 1.00 34.02 H new ATOM 0 HG3 LYS A 72 17.175 6.162 14.318 1.00 34.02 H new ATOM 0 HD2 LYS A 72 17.888 7.259 16.229 1.00 35.53 H new ATOM 0 HD3 LYS A 72 19.302 6.280 15.893 1.00 35.53 H new ATOM 0 HE2 LYS A 72 19.115 9.020 14.653 1.00 3.02 H new ATOM 0 HE3 LYS A 72 19.512 8.893 16.356 1.00 3.02 H new ATOM 0 HZ1 LYS A 72 21.592 8.599 15.660 1.00 3.41 H new ATOM 0 HZ2 LYS A 72 21.132 7.032 15.198 1.00 3.41 H new ATOM 0 HZ3 LYS A 72 21.124 8.290 14.057 1.00 3.41 H new ATOM 1176 N GLY A 73 20.562 4.502 10.952 1.00 43.21 N ATOM 1177 CA GLY A 73 21.773 4.330 10.171 1.00 61.23 C ATOM 1178 C GLY A 73 21.500 4.288 8.680 1.00 5.52 C ATOM 1179 O GLY A 73 22.393 4.545 7.873 1.00 63.42 O ATOM 0 H GLY A 73 20.227 3.658 11.416 1.00 43.21 H new ATOM 0 HA2 GLY A 73 22.461 5.147 10.388 1.00 61.23 H new ATOM 0 HA3 GLY A 73 22.268 3.407 10.473 1.00 61.23 H new ATOM 1183 N GLN A 74 20.265 3.964 8.315 1.00 75.40 N ATOM 1184 CA GLN A 74 19.878 3.887 6.911 1.00 45.40 C ATOM 1185 C GLN A 74 19.300 5.215 6.432 1.00 4.15 C ATOM 1186 O GLN A 74 18.689 5.290 5.366 1.00 11.35 O ATOM 1187 CB GLN A 74 18.858 2.768 6.701 1.00 35.20 C ATOM 1188 CG GLN A 74 19.480 1.383 6.626 1.00 61.03 C ATOM 1189 CD GLN A 74 18.630 0.323 7.298 1.00 14.42 C ATOM 1190 OE1 GLN A 74 18.184 -0.630 6.658 1.00 2.34 O ATOM 1191 NE2 GLN A 74 18.399 0.484 8.596 1.00 5.40 N ATOM 0 H GLN A 74 19.514 3.750 8.972 1.00 75.40 H new ATOM 0 HA GLN A 74 20.771 3.668 6.326 1.00 45.40 H new ATOM 0 HB2 GLN A 74 18.135 2.789 7.517 1.00 35.20 H new ATOM 0 HB3 GLN A 74 18.306 2.959 5.781 1.00 35.20 H new ATOM 0 HG2 GLN A 74 19.631 1.113 5.581 1.00 61.03 H new ATOM 0 HG3 GLN A 74 20.464 1.405 7.095 1.00 61.03 H new ATOM 0 HE21 GLN A 74 18.788 1.289 9.087 1.00 5.40 H new ATOM 0 HE22 GLN A 74 17.832 -0.197 9.101 1.00 5.40 H new ATOM 1200 N LYS A 75 19.497 6.261 7.228 1.00 43.34 N ATOM 1201 CA LYS A 75 18.997 7.587 6.886 1.00 52.51 C ATOM 1202 C LYS A 75 17.503 7.544 6.583 1.00 74.44 C ATOM 1203 O LYS A 75 17.056 8.036 5.546 1.00 33.30 O ATOM 1204 CB LYS A 75 19.756 8.147 5.681 1.00 5.00 C ATOM 1205 CG LYS A 75 21.246 8.317 5.926 1.00 32.22 C ATOM 1206 CD LYS A 75 21.526 9.464 6.883 1.00 62.43 C ATOM 1207 CE LYS A 75 21.585 10.797 6.153 1.00 60.44 C ATOM 1208 NZ LYS A 75 20.233 11.400 5.990 1.00 4.23 N ATOM 0 H LYS A 75 20.000 6.216 8.114 1.00 43.34 H new ATOM 0 HA LYS A 75 19.158 8.240 7.744 1.00 52.51 H new ATOM 0 HB2 LYS A 75 19.610 7.483 4.829 1.00 5.00 H new ATOM 0 HB3 LYS A 75 19.328 9.112 5.409 1.00 5.00 H new ATOM 0 HG2 LYS A 75 21.656 7.393 6.334 1.00 32.22 H new ATOM 0 HG3 LYS A 75 21.753 8.500 4.979 1.00 32.22 H new ATOM 0 HD2 LYS A 75 20.749 9.500 7.647 1.00 62.43 H new ATOM 0 HD3 LYS A 75 22.471 9.288 7.398 1.00 62.43 H new ATOM 0 HE2 LYS A 75 22.226 11.485 6.705 1.00 60.44 H new ATOM 0 HE3 LYS A 75 22.040 10.655 5.173 1.00 60.44 H new ATOM 0 HZ1 LYS A 75 20.303 12.435 6.063 1.00 4.23 H new ATOM 0 HZ2 LYS A 75 19.849 11.144 5.058 1.00 4.23 H new ATOM 0 HZ3 LYS A 75 19.601 11.042 6.735 1.00 4.23 H new ATOM 1222 N ILE A 76 16.736 6.953 7.493 1.00 12.30 N ATOM 1223 CA ILE A 76 15.292 6.848 7.323 1.00 11.40 C ATOM 1224 C ILE A 76 14.554 7.714 8.339 1.00 45.43 C ATOM 1225 O ILE A 76 14.796 7.619 9.542 1.00 31.34 O ATOM 1226 CB ILE A 76 14.813 5.391 7.464 1.00 51.45 C ATOM 1227 CG1 ILE A 76 15.751 4.448 6.709 1.00 64.05 C ATOM 1228 CG2 ILE A 76 13.387 5.251 6.951 1.00 22.14 C ATOM 1229 CD1 ILE A 76 15.848 4.748 5.229 1.00 32.10 C ATOM 0 H ILE A 76 17.090 6.540 8.355 1.00 12.30 H new ATOM 0 HA ILE A 76 15.067 7.201 6.317 1.00 11.40 H new ATOM 0 HB ILE A 76 14.827 5.119 8.519 1.00 51.45 H new ATOM 0 HG12 ILE A 76 16.746 4.509 7.150 1.00 64.05 H new ATOM 0 HG13 ILE A 76 15.406 3.423 6.842 1.00 64.05 H new ATOM 0 HG21 ILE A 76 13.062 4.216 7.057 1.00 22.14 H new ATOM 0 HG22 ILE A 76 12.727 5.899 7.528 1.00 22.14 H new ATOM 0 HG23 ILE A 76 13.349 5.537 5.900 1.00 22.14 H new ATOM 0 HD11 ILE A 76 16.530 4.040 4.758 1.00 32.10 H new ATOM 0 HD12 ILE A 76 14.861 4.659 4.774 1.00 32.10 H new ATOM 0 HD13 ILE A 76 16.222 5.762 5.087 1.00 32.10 H new ATOM 1241 N ILE A 77 13.654 8.558 7.846 1.00 73.44 N ATOM 1242 CA ILE A 77 12.879 9.438 8.711 1.00 53.44 C ATOM 1243 C ILE A 77 11.390 9.121 8.626 1.00 55.24 C ATOM 1244 O ILE A 77 10.628 9.422 9.544 1.00 21.15 O ATOM 1245 CB ILE A 77 13.098 10.919 8.348 1.00 2.13 C ATOM 1246 CG1 ILE A 77 14.592 11.252 8.355 1.00 54.24 C ATOM 1247 CG2 ILE A 77 12.345 11.819 9.317 1.00 22.40 C ATOM 1248 CD1 ILE A 77 15.243 11.081 9.709 1.00 62.11 C ATOM 0 H ILE A 77 13.444 8.651 6.852 1.00 73.44 H new ATOM 0 HA ILE A 77 13.227 9.266 9.729 1.00 53.44 H new ATOM 0 HB ILE A 77 12.710 11.093 7.344 1.00 2.13 H new ATOM 0 HG12 ILE A 77 15.101 10.614 7.633 1.00 54.24 H new ATOM 0 HG13 ILE A 77 14.728 12.281 8.023 1.00 54.24 H new ATOM 0 HG21 ILE A 77 12.510 12.862 9.047 1.00 22.40 H new ATOM 0 HG22 ILE A 77 11.279 11.595 9.268 1.00 22.40 H new ATOM 0 HG23 ILE A 77 12.706 11.645 10.331 1.00 22.40 H new ATOM 0 HD11 ILE A 77 16.301 11.334 9.639 1.00 62.11 H new ATOM 0 HD12 ILE A 77 14.759 11.739 10.431 1.00 62.11 H new ATOM 0 HD13 ILE A 77 15.139 10.046 10.035 1.00 62.11 H new ATOM 1260 N GLN A 78 10.982 8.511 7.517 1.00 25.34 N ATOM 1261 CA GLN A 78 9.584 8.152 7.313 1.00 21.44 C ATOM 1262 C GLN A 78 9.130 7.124 8.345 1.00 13.30 C ATOM 1263 O GLN A 78 8.061 7.258 8.941 1.00 54.44 O ATOM 1264 CB GLN A 78 9.378 7.600 5.902 1.00 61.33 C ATOM 1265 CG GLN A 78 9.898 8.518 4.808 1.00 53.35 C ATOM 1266 CD GLN A 78 9.277 9.900 4.863 1.00 44.54 C ATOM 1267 OE1 GLN A 78 8.080 10.047 5.110 1.00 21.13 O ATOM 1268 NE2 GLN A 78 10.091 10.924 4.631 1.00 11.35 N ATOM 0 H GLN A 78 11.600 8.255 6.747 1.00 25.34 H new ATOM 0 HA GLN A 78 8.982 9.053 7.435 1.00 21.44 H new ATOM 0 HB2 GLN A 78 9.877 6.634 5.822 1.00 61.33 H new ATOM 0 HB3 GLN A 78 8.314 7.423 5.742 1.00 61.33 H new ATOM 0 HG2 GLN A 78 10.981 8.606 4.897 1.00 53.35 H new ATOM 0 HG3 GLN A 78 9.694 8.070 3.835 1.00 53.35 H new ATOM 0 HE21 GLN A 78 11.077 10.756 4.430 1.00 11.35 H new ATOM 0 HE22 GLN A 78 9.730 11.878 4.654 1.00 11.35 H new ATOM 1277 N PHE A 79 9.949 6.098 8.551 1.00 14.23 N ATOM 1278 CA PHE A 79 9.630 5.047 9.510 1.00 22.23 C ATOM 1279 C PHE A 79 9.628 5.593 10.935 1.00 24.33 C ATOM 1280 O PHE A 79 8.777 5.232 11.748 1.00 64.45 O ATOM 1281 CB PHE A 79 10.635 3.899 9.393 1.00 21.02 C ATOM 1282 CG PHE A 79 10.141 2.753 8.558 1.00 30.40 C ATOM 1283 CD1 PHE A 79 8.941 2.127 8.857 1.00 24.22 C ATOM 1284 CD2 PHE A 79 10.876 2.301 7.474 1.00 54.05 C ATOM 1285 CE1 PHE A 79 8.485 1.071 8.091 1.00 50.23 C ATOM 1286 CE2 PHE A 79 10.424 1.246 6.703 1.00 11.01 C ATOM 1287 CZ PHE A 79 9.226 0.631 7.012 1.00 44.14 C ATOM 0 H PHE A 79 10.838 5.972 8.067 1.00 14.23 H new ATOM 0 HA PHE A 79 8.632 4.672 9.282 1.00 22.23 H new ATOM 0 HB2 PHE A 79 11.561 4.280 8.962 1.00 21.02 H new ATOM 0 HB3 PHE A 79 10.875 3.534 10.391 1.00 21.02 H new ATOM 0 HD1 PHE A 79 8.356 2.468 9.698 1.00 24.22 H new ATOM 0 HD2 PHE A 79 11.813 2.778 7.228 1.00 54.05 H new ATOM 0 HE1 PHE A 79 7.550 0.590 8.336 1.00 50.23 H new ATOM 0 HE2 PHE A 79 11.006 0.903 5.861 1.00 11.01 H new ATOM 0 HZ PHE A 79 8.870 -0.192 6.411 1.00 44.14 H new ATOM 1297 N GLN A 80 10.588 6.464 11.230 1.00 71.01 N ATOM 1298 CA GLN A 80 10.698 7.059 12.557 1.00 72.33 C ATOM 1299 C GLN A 80 9.411 7.785 12.936 1.00 24.42 C ATOM 1300 O GLN A 80 8.847 7.551 14.005 1.00 22.41 O ATOM 1301 CB GLN A 80 11.879 8.029 12.607 1.00 1.24 C ATOM 1302 CG GLN A 80 13.221 7.370 12.330 1.00 35.14 C ATOM 1303 CD GLN A 80 14.392 8.217 12.787 1.00 63.42 C ATOM 1304 OE1 GLN A 80 15.250 7.640 13.620 1.00 41.32 O flip ATOM 1305 NE2 GLN A 80 14.525 9.376 12.395 1.00 3.24 N flip ATOM 0 H GLN A 80 11.300 6.773 10.569 1.00 71.01 H new ATOM 0 HA GLN A 80 10.866 6.257 13.275 1.00 72.33 H new ATOM 0 HB2 GLN A 80 11.717 8.824 11.879 1.00 1.24 H new ATOM 0 HB3 GLN A 80 11.911 8.499 13.590 1.00 1.24 H new ATOM 0 HG2 GLN A 80 13.258 6.404 12.833 1.00 35.14 H new ATOM 0 HG3 GLN A 80 13.313 7.176 11.261 1.00 35.14 H new ATOM 0 HE21 GLN A 80 13.841 9.779 11.755 1.00 3.24 H new ATOM 0 HE22 GLN A 80 15.319 9.933 12.710 1.00 3.24 H new ATOM 1314 N ASP A 81 8.953 8.666 12.054 1.00 4.24 N ATOM 1315 CA ASP A 81 7.733 9.426 12.297 1.00 54.35 C ATOM 1316 C ASP A 81 6.503 8.530 12.187 1.00 63.32 C ATOM 1317 O ASP A 81 5.582 8.621 12.998 1.00 72.03 O ATOM 1318 CB ASP A 81 7.623 10.586 11.305 1.00 5.03 C ATOM 1319 CG ASP A 81 6.582 11.606 11.721 1.00 50.55 C ATOM 1320 OD1 ASP A 81 6.871 12.415 12.628 1.00 64.32 O ATOM 1321 OD2 ASP A 81 5.478 11.597 11.138 1.00 52.53 O ATOM 0 H ASP A 81 9.408 8.871 11.165 1.00 4.24 H new ATOM 0 HA ASP A 81 7.780 9.826 13.310 1.00 54.35 H new ATOM 0 HB2 ASP A 81 8.592 11.076 11.215 1.00 5.03 H new ATOM 0 HB3 ASP A 81 7.371 10.195 10.319 1.00 5.03 H new ATOM 1326 N SER A 82 6.496 7.664 11.178 1.00 45.42 N ATOM 1327 CA SER A 82 5.378 6.754 10.959 1.00 43.42 C ATOM 1328 C SER A 82 5.129 5.893 12.193 1.00 12.33 C ATOM 1329 O SER A 82 4.015 5.843 12.715 1.00 54.23 O ATOM 1330 CB SER A 82 5.650 5.861 9.747 1.00 52.54 C ATOM 1331 OG SER A 82 5.429 6.564 8.536 1.00 51.10 O ATOM 0 H SER A 82 7.252 7.574 10.499 1.00 45.42 H new ATOM 0 HA SER A 82 4.487 7.352 10.768 1.00 43.42 H new ATOM 0 HB2 SER A 82 6.678 5.501 9.780 1.00 52.54 H new ATOM 0 HB3 SER A 82 5.004 4.984 9.785 1.00 52.54 H new ATOM 0 HG SER A 82 6.234 7.071 8.300 1.00 51.10 H new ATOM 1337 N PHE A 83 6.175 5.216 12.656 1.00 53.41 N ATOM 1338 CA PHE A 83 6.070 4.356 13.829 1.00 65.14 C ATOM 1339 C PHE A 83 5.993 5.185 15.107 1.00 45.51 C ATOM 1340 O PHE A 83 5.502 4.719 16.134 1.00 43.20 O ATOM 1341 CB PHE A 83 7.266 3.404 13.896 1.00 21.45 C ATOM 1342 CG PHE A 83 7.074 2.142 13.104 1.00 52.44 C ATOM 1343 CD1 PHE A 83 5.950 1.354 13.292 1.00 12.45 C ATOM 1344 CD2 PHE A 83 8.017 1.745 12.169 1.00 14.23 C ATOM 1345 CE1 PHE A 83 5.771 0.193 12.565 1.00 50.12 C ATOM 1346 CE2 PHE A 83 7.843 0.585 11.438 1.00 11.12 C ATOM 1347 CZ PHE A 83 6.718 -0.191 11.636 1.00 71.43 C ATOM 0 H PHE A 83 7.104 5.246 12.237 1.00 53.41 H new ATOM 0 HA PHE A 83 5.153 3.773 13.741 1.00 65.14 H new ATOM 0 HB2 PHE A 83 8.153 3.921 13.530 1.00 21.45 H new ATOM 0 HB3 PHE A 83 7.455 3.144 14.938 1.00 21.45 H new ATOM 0 HD1 PHE A 83 5.205 1.651 14.015 1.00 12.45 H new ATOM 0 HD2 PHE A 83 8.898 2.349 12.010 1.00 14.23 H new ATOM 0 HE1 PHE A 83 4.892 -0.414 12.723 1.00 50.12 H new ATOM 0 HE2 PHE A 83 8.586 0.286 10.713 1.00 11.12 H new ATOM 0 HZ PHE A 83 6.579 -1.097 11.065 1.00 71.43 H new ATOM 1357 N GLY A 84 6.484 6.419 15.035 1.00 13.42 N ATOM 1358 CA GLY A 84 6.462 7.295 16.192 1.00 30.35 C ATOM 1359 C GLY A 84 5.086 7.873 16.456 1.00 10.31 C ATOM 1360 O GLY A 84 4.711 8.105 17.606 1.00 60.13 O ATOM 0 H GLY A 84 6.896 6.827 14.196 1.00 13.42 H new ATOM 0 HA2 GLY A 84 6.794 6.741 17.070 1.00 30.35 H new ATOM 0 HA3 GLY A 84 7.172 8.109 16.041 1.00 30.35 H new ATOM 1364 N LYS A 85 4.331 8.110 15.389 1.00 72.53 N ATOM 1365 CA LYS A 85 2.988 8.665 15.509 1.00 42.35 C ATOM 1366 C LYS A 85 1.995 7.597 15.954 1.00 72.11 C ATOM 1367 O LYS A 85 0.846 7.899 16.276 1.00 54.02 O ATOM 1368 CB LYS A 85 2.542 9.267 14.174 1.00 0.00 C ATOM 1369 CG LYS A 85 2.438 8.249 13.052 1.00 23.40 C ATOM 1370 CD LYS A 85 1.320 8.597 12.084 1.00 42.41 C ATOM 1371 CE LYS A 85 1.587 9.918 11.377 1.00 34.51 C ATOM 1372 NZ LYS A 85 0.581 10.190 10.313 1.00 13.14 N ATOM 0 H LYS A 85 4.627 7.926 14.430 1.00 72.53 H new ATOM 0 HA LYS A 85 3.013 9.450 16.265 1.00 42.35 H new ATOM 0 HB2 LYS A 85 1.573 9.748 14.308 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.247 10.046 13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.385 8.202 12.514 1.00 23.40 H new ATOM 0 HG3 LYS A 85 2.261 7.259 13.473 1.00 23.40 H new ATOM 0 HD2 LYS A 85 1.216 7.802 11.345 1.00 42.41 H new ATOM 0 HD3 LYS A 85 0.375 8.656 12.624 1.00 42.41 H new ATOM 0 HE2 LYS A 85 1.574 10.729 12.105 1.00 34.51 H new ATOM 0 HE3 LYS A 85 2.584 9.900 10.938 1.00 34.51 H new ATOM 0 HZ1 LYS A 85 0.797 11.098 9.855 1.00 13.14 H new ATOM 0 HZ2 LYS A 85 0.611 9.429 9.604 1.00 13.14 H new ATOM 0 HZ3 LYS A 85 -0.368 10.233 10.736 1.00 13.14 H new ATOM 1386 N VAL A 86 2.446 6.347 15.972 1.00 74.55 N ATOM 1387 CA VAL A 86 1.597 5.234 16.380 1.00 21.42 C ATOM 1388 C VAL A 86 2.199 4.491 17.568 1.00 53.01 C ATOM 1389 O VAL A 86 1.565 3.609 18.147 1.00 65.00 O ATOM 1390 CB VAL A 86 1.380 4.239 15.224 1.00 53.51 C ATOM 1391 CG1 VAL A 86 0.688 4.923 14.055 1.00 53.24 C ATOM 1392 CG2 VAL A 86 2.704 3.631 14.789 1.00 44.44 C ATOM 0 H VAL A 86 3.394 6.080 15.709 1.00 74.55 H new ATOM 0 HA VAL A 86 0.636 5.659 16.669 1.00 21.42 H new ATOM 0 HB VAL A 86 0.736 3.434 15.576 1.00 53.51 H new ATOM 0 HG11 VAL A 86 0.543 4.205 13.248 1.00 53.24 H new ATOM 0 HG12 VAL A 86 -0.280 5.306 14.379 1.00 53.24 H new ATOM 0 HG13 VAL A 86 1.304 5.749 13.700 1.00 53.24 H new ATOM 0 HG21 VAL A 86 2.532 2.931 13.972 1.00 44.44 H new ATOM 0 HG22 VAL A 86 3.375 4.422 14.454 1.00 44.44 H new ATOM 0 HG23 VAL A 86 3.156 3.104 15.629 1.00 44.44 H new ATOM 1402 N ALA A 87 3.426 4.855 17.926 1.00 32.31 N ATOM 1403 CA ALA A 87 4.113 4.225 19.047 1.00 73.21 C ATOM 1404 C ALA A 87 3.496 4.647 20.376 1.00 1.11 C ATOM 1405 O ALA A 87 3.193 3.809 21.225 1.00 64.02 O ATOM 1406 CB ALA A 87 5.595 4.568 19.018 1.00 72.23 C ATOM 0 H ALA A 87 3.965 5.583 17.456 1.00 32.31 H new ATOM 0 HA ALA A 87 4.000 3.145 18.950 1.00 73.21 H new ATOM 0 HB1 ALA A 87 6.095 4.091 19.861 1.00 72.23 H new ATOM 0 HB2 ALA A 87 6.033 4.211 18.086 1.00 72.23 H new ATOM 0 HB3 ALA A 87 5.720 5.649 19.086 1.00 72.23 H new ATOM 1412 N ALA A 88 3.313 5.952 20.550 1.00 24.13 N ATOM 1413 CA ALA A 88 2.732 6.485 21.776 1.00 73.10 C ATOM 1414 C ALA A 88 1.315 5.960 21.985 1.00 41.34 C ATOM 1415 O ALA A 88 0.863 5.803 23.118 1.00 10.22 O ATOM 1416 CB ALA A 88 2.734 8.006 21.743 1.00 13.02 C ATOM 0 H ALA A 88 3.559 6.659 19.857 1.00 24.13 H new ATOM 0 HA ALA A 88 3.343 6.150 22.614 1.00 73.10 H new ATOM 0 HB1 ALA A 88 2.297 8.391 22.665 1.00 13.02 H new ATOM 0 HB2 ALA A 88 3.758 8.367 21.649 1.00 13.02 H new ATOM 0 HB3 ALA A 88 2.148 8.352 20.892 1.00 13.02 H new ATOM 1422 N GLU A 89 0.620 5.692 20.884 1.00 61.04 N ATOM 1423 CA GLU A 89 -0.746 5.186 20.948 1.00 52.52 C ATOM 1424 C GLU A 89 -0.760 3.696 21.273 1.00 60.42 C ATOM 1425 O GLU A 89 -1.418 3.261 22.218 1.00 22.12 O ATOM 1426 CB GLU A 89 -1.469 5.437 19.623 1.00 52.52 C ATOM 1427 CG GLU A 89 -2.983 5.358 19.731 1.00 43.42 C ATOM 1428 CD GLU A 89 -3.550 6.356 20.723 1.00 64.53 C ATOM 1429 OE1 GLU A 89 -3.794 7.514 20.324 1.00 33.25 O ATOM 1430 OE2 GLU A 89 -3.748 5.978 21.896 1.00 14.33 O ATOM 0 H GLU A 89 0.980 5.817 19.938 1.00 61.04 H new ATOM 0 HA GLU A 89 -1.266 5.718 21.744 1.00 52.52 H new ATOM 0 HB2 GLU A 89 -1.191 6.422 19.248 1.00 52.52 H new ATOM 0 HB3 GLU A 89 -1.127 4.708 18.888 1.00 52.52 H new ATOM 0 HG2 GLU A 89 -3.423 5.536 18.750 1.00 43.42 H new ATOM 0 HG3 GLU A 89 -3.270 4.350 20.031 1.00 43.42 H new ATOM 1437 N VAL A 90 -0.029 2.917 20.481 1.00 32.55 N ATOM 1438 CA VAL A 90 0.044 1.475 20.684 1.00 32.42 C ATOM 1439 C VAL A 90 0.668 1.140 22.034 1.00 10.34 C ATOM 1440 O VAL A 90 0.072 0.433 22.848 1.00 1.54 O ATOM 1441 CB VAL A 90 0.860 0.792 19.571 1.00 71.24 C ATOM 1442 CG1 VAL A 90 0.984 -0.700 19.838 1.00 61.53 C ATOM 1443 CG2 VAL A 90 0.225 1.048 18.212 1.00 30.31 C ATOM 0 H VAL A 90 0.521 3.261 19.693 1.00 32.55 H new ATOM 0 HA VAL A 90 -0.979 1.100 20.657 1.00 32.42 H new ATOM 0 HB VAL A 90 1.863 1.220 19.565 1.00 71.24 H new ATOM 0 HG11 VAL A 90 1.564 -1.165 19.041 1.00 61.53 H new ATOM 0 HG12 VAL A 90 1.487 -0.858 20.792 1.00 61.53 H new ATOM 0 HG13 VAL A 90 -0.009 -1.147 19.873 1.00 61.53 H new ATOM 0 HG21 VAL A 90 0.814 0.558 17.437 1.00 30.31 H new ATOM 0 HG22 VAL A 90 -0.789 0.649 18.203 1.00 30.31 H new ATOM 0 HG23 VAL A 90 0.194 2.121 18.021 1.00 30.31 H new ATOM 1453 N LEU A 91 1.871 1.653 22.267 1.00 42.13 N ATOM 1454 CA LEU A 91 2.578 1.410 23.520 1.00 74.13 C ATOM 1455 C LEU A 91 1.684 1.717 24.717 1.00 10.11 C ATOM 1456 O LEU A 91 1.757 1.048 25.747 1.00 40.11 O ATOM 1457 CB LEU A 91 3.848 2.260 23.585 1.00 34.13 C ATOM 1458 CG LEU A 91 4.941 1.912 22.575 1.00 62.21 C ATOM 1459 CD1 LEU A 91 5.803 3.130 22.280 1.00 22.34 C ATOM 1460 CD2 LEU A 91 5.796 0.763 23.089 1.00 22.30 C ATOM 0 H LEU A 91 2.378 2.240 21.604 1.00 42.13 H new ATOM 0 HA LEU A 91 2.852 0.356 23.556 1.00 74.13 H new ATOM 0 HB2 LEU A 91 3.570 3.304 23.444 1.00 34.13 H new ATOM 0 HB3 LEU A 91 4.267 2.175 24.588 1.00 34.13 H new ATOM 0 HG LEU A 91 4.464 1.597 21.647 1.00 62.21 H new ATOM 0 HD11 LEU A 91 6.576 2.863 21.559 1.00 22.34 H new ATOM 0 HD12 LEU A 91 5.181 3.925 21.868 1.00 22.34 H new ATOM 0 HD13 LEU A 91 6.271 3.476 23.202 1.00 22.34 H new ATOM 0 HD21 LEU A 91 6.569 0.529 22.357 1.00 22.30 H new ATOM 0 HD22 LEU A 91 6.263 1.050 24.031 1.00 22.30 H new ATOM 0 HD23 LEU A 91 5.169 -0.114 23.248 1.00 22.30 H new ATOM 1472 N GLY A 92 0.839 2.733 24.573 1.00 14.31 N ATOM 1473 CA GLY A 92 -0.059 3.110 25.650 1.00 62.14 C ATOM 1474 C GLY A 92 -1.180 2.109 25.847 1.00 23.20 C ATOM 1475 O GLY A 92 -1.633 1.888 26.970 1.00 11.11 O ATOM 0 H GLY A 92 0.760 3.302 23.730 1.00 14.31 H new ATOM 0 HA2 GLY A 92 0.508 3.203 26.576 1.00 62.14 H new ATOM 0 HA3 GLY A 92 -0.485 4.091 25.437 1.00 62.14 H new ATOM 1479 N ARG A 93 -1.629 1.503 24.753 1.00 31.51 N ATOM 1480 CA ARG A 93 -2.706 0.522 24.811 1.00 71.41 C ATOM 1481 C ARG A 93 -2.178 -0.840 25.254 1.00 14.34 C ATOM 1482 O ARG A 93 -2.687 -1.433 26.206 1.00 24.21 O ATOM 1483 CB ARG A 93 -3.385 0.397 23.446 1.00 52.32 C ATOM 1484 CG ARG A 93 -4.490 1.416 23.220 1.00 0.50 C ATOM 1485 CD ARG A 93 -5.813 0.943 23.802 1.00 25.41 C ATOM 1486 NE ARG A 93 -6.055 1.497 25.131 1.00 33.44 N ATOM 1487 CZ ARG A 93 -7.161 1.269 25.832 1.00 50.24 C ATOM 1488 NH1 ARG A 93 -8.120 0.503 25.332 1.00 74.43 N ATOM 1489 NH2 ARG A 93 -7.309 1.809 27.035 1.00 64.12 N ATOM 0 H ARG A 93 -1.264 1.674 23.816 1.00 31.51 H new ATOM 0 HA ARG A 93 -3.437 0.865 25.543 1.00 71.41 H new ATOM 0 HB2 ARG A 93 -2.634 0.509 22.664 1.00 52.32 H new ATOM 0 HB3 ARG A 93 -3.801 -0.606 23.347 1.00 52.32 H new ATOM 0 HG2 ARG A 93 -4.210 2.365 23.676 1.00 0.50 H new ATOM 0 HG3 ARG A 93 -4.606 1.598 22.151 1.00 0.50 H new ATOM 0 HD2 ARG A 93 -6.626 1.231 23.136 1.00 25.41 H new ATOM 0 HD3 ARG A 93 -5.816 -0.146 23.857 1.00 25.41 H new ATOM 0 HE ARG A 93 -5.336 2.091 25.544 1.00 33.44 H new ATOM 0 HH11 ARG A 93 -8.010 0.087 24.407 1.00 74.43 H new ATOM 0 HH12 ARG A 93 -8.968 0.330 25.872 1.00 74.43 H new ATOM 0 HH21 ARG A 93 -6.574 2.400 27.423 1.00 64.12 H new ATOM 0 HH22 ARG A 93 -8.158 1.633 27.572 1.00 64.12 H new ATOM 1503 N ILE A 94 -1.157 -1.328 24.558 1.00 34.02 N ATOM 1504 CA ILE A 94 -0.561 -2.618 24.881 1.00 72.42 C ATOM 1505 C ILE A 94 -0.024 -2.635 26.308 1.00 52.41 C ATOM 1506 O ILE A 94 0.045 -3.685 26.944 1.00 61.42 O ATOM 1507 CB ILE A 94 0.582 -2.969 23.910 1.00 1.31 C ATOM 1508 CG1 ILE A 94 1.771 -2.030 24.128 1.00 31.40 C ATOM 1509 CG2 ILE A 94 0.097 -2.892 22.470 1.00 13.13 C ATOM 1510 CD1 ILE A 94 2.936 -2.307 23.204 1.00 23.02 C ATOM 0 H ILE A 94 -0.725 -0.850 23.767 1.00 34.02 H new ATOM 0 HA ILE A 94 -1.351 -3.363 24.784 1.00 72.42 H new ATOM 0 HB ILE A 94 0.907 -3.990 24.109 1.00 1.31 H new ATOM 0 HG12 ILE A 94 1.442 -1.001 23.986 1.00 31.40 H new ATOM 0 HG13 ILE A 94 2.108 -2.117 25.161 1.00 31.40 H new ATOM 0 HG21 ILE A 94 0.916 -3.143 21.796 1.00 13.13 H new ATOM 0 HG22 ILE A 94 -0.722 -3.597 22.324 1.00 13.13 H new ATOM 0 HG23 ILE A 94 -0.252 -1.881 22.257 1.00 13.13 H new ATOM 0 HD11 ILE A 94 3.742 -1.604 23.414 1.00 23.02 H new ATOM 0 HD12 ILE A 94 3.292 -3.325 23.362 1.00 23.02 H new ATOM 0 HD13 ILE A 94 2.615 -2.191 22.169 1.00 23.02 H new ATOM 1522 N ASN A 95 0.353 -1.461 26.806 1.00 61.43 N ATOM 1523 CA ASN A 95 0.883 -1.340 28.159 1.00 31.10 C ATOM 1524 C ASN A 95 -0.142 -1.808 29.188 1.00 24.02 C ATOM 1525 O ASN A 95 0.218 -2.353 30.232 1.00 55.24 O ATOM 1526 CB ASN A 95 1.284 0.109 28.444 1.00 32.42 C ATOM 1527 CG ASN A 95 1.524 0.362 29.920 1.00 40.31 C ATOM 1528 OD1 ASN A 95 2.553 -0.031 30.469 1.00 21.23 O ATOM 1529 ND2 ASN A 95 0.572 1.023 30.569 1.00 23.42 N ATOM 0 H ASN A 95 0.301 -0.581 26.293 1.00 61.43 H new ATOM 0 HA ASN A 95 1.765 -1.976 28.236 1.00 31.10 H new ATOM 0 HB2 ASN A 95 2.188 0.350 27.885 1.00 32.42 H new ATOM 0 HB3 ASN A 95 0.501 0.777 28.086 1.00 32.42 H new ATOM 0 HD21 ASN A 95 0.678 1.224 31.563 1.00 23.42 H new ATOM 0 HD22 ASN A 95 -0.265 1.330 30.073 1.00 23.42 H new ATOM 1536 N GLN A 96 -1.418 -1.592 28.886 1.00 45.44 N ATOM 1537 CA GLN A 96 -2.494 -1.991 29.785 1.00 63.24 C ATOM 1538 C GLN A 96 -2.869 -3.453 29.568 1.00 32.40 C ATOM 1539 O GLN A 96 -3.040 -4.208 30.525 1.00 44.01 O ATOM 1540 CB GLN A 96 -3.720 -1.101 29.574 1.00 3.10 C ATOM 1541 CG GLN A 96 -3.417 0.385 29.675 1.00 43.34 C ATOM 1542 CD GLN A 96 -4.609 1.250 29.315 1.00 32.43 C ATOM 1543 OE1 GLN A 96 -5.755 0.891 29.588 1.00 11.24 O ATOM 1544 NE2 GLN A 96 -4.346 2.396 28.699 1.00 5.12 N ATOM 0 H GLN A 96 -1.732 -1.143 28.026 1.00 45.44 H new ATOM 0 HA GLN A 96 -2.141 -1.873 30.809 1.00 63.24 H new ATOM 0 HB2 GLN A 96 -4.146 -1.311 28.593 1.00 3.10 H new ATOM 0 HB3 GLN A 96 -4.478 -1.360 30.313 1.00 3.10 H new ATOM 0 HG2 GLN A 96 -3.097 0.618 30.691 1.00 43.34 H new ATOM 0 HG3 GLN A 96 -2.584 0.628 29.015 1.00 43.34 H new ATOM 0 HE21 GLN A 96 -3.381 2.654 28.492 1.00 5.12 H new ATOM 0 HE22 GLN A 96 -5.109 3.019 28.433 1.00 5.12 H new ATOM 1553 N GLU A 97 -2.997 -3.846 28.304 1.00 1.32 N ATOM 1554 CA GLU A 97 -3.354 -5.218 27.963 1.00 4.23 C ATOM 1555 C GLU A 97 -2.229 -6.180 28.334 1.00 71.51 C ATOM 1556 O GLU A 97 -2.440 -7.389 28.438 1.00 53.03 O ATOM 1557 CB GLU A 97 -3.665 -5.331 26.470 1.00 73.24 C ATOM 1558 CG GLU A 97 -4.951 -4.631 26.061 1.00 24.32 C ATOM 1559 CD GLU A 97 -6.163 -5.538 26.153 1.00 41.45 C ATOM 1560 OE1 GLU A 97 -6.080 -6.690 25.679 1.00 41.01 O ATOM 1561 OE2 GLU A 97 -7.195 -5.094 26.698 1.00 2.24 O ATOM 0 H GLU A 97 -2.859 -3.234 27.500 1.00 1.32 H new ATOM 0 HA GLU A 97 -4.243 -5.488 28.533 1.00 4.23 H new ATOM 0 HB2 GLU A 97 -2.836 -4.910 25.902 1.00 73.24 H new ATOM 0 HB3 GLU A 97 -3.733 -6.385 26.200 1.00 73.24 H new ATOM 0 HG2 GLU A 97 -5.105 -3.760 26.698 1.00 24.32 H new ATOM 0 HG3 GLU A 97 -4.852 -4.265 25.039 1.00 24.32 H new ATOM 1568 N PHE A 98 -1.033 -5.636 28.532 1.00 52.14 N ATOM 1569 CA PHE A 98 0.126 -6.445 28.889 1.00 31.40 C ATOM 1570 C PHE A 98 0.154 -6.723 30.389 1.00 11.33 C ATOM 1571 O PHE A 98 -0.152 -5.859 31.212 1.00 75.24 O ATOM 1572 CB PHE A 98 1.417 -5.741 28.465 1.00 74.51 C ATOM 1573 CG PHE A 98 1.802 -6.005 27.037 1.00 13.32 C ATOM 1574 CD1 PHE A 98 0.850 -6.397 26.110 1.00 34.22 C ATOM 1575 CD2 PHE A 98 3.115 -5.859 26.622 1.00 25.20 C ATOM 1576 CE1 PHE A 98 1.202 -6.641 24.796 1.00 15.11 C ATOM 1577 CE2 PHE A 98 3.473 -6.101 25.309 1.00 63.00 C ATOM 1578 CZ PHE A 98 2.515 -6.491 24.395 1.00 73.43 C ATOM 0 H PHE A 98 -0.841 -4.637 28.451 1.00 52.14 H new ATOM 0 HA PHE A 98 0.050 -7.396 28.362 1.00 31.40 H new ATOM 0 HB2 PHE A 98 1.300 -4.667 28.609 1.00 74.51 H new ATOM 0 HB3 PHE A 98 2.228 -6.063 29.117 1.00 74.51 H new ATOM 0 HD1 PHE A 98 -0.179 -6.513 26.418 1.00 34.22 H new ATOM 0 HD2 PHE A 98 3.868 -5.552 27.333 1.00 25.20 H new ATOM 0 HE1 PHE A 98 0.451 -6.949 24.083 1.00 15.11 H new ATOM 0 HE2 PHE A 98 4.501 -5.985 24.999 1.00 63.00 H new ATOM 0 HZ PHE A 98 2.792 -6.679 23.368 1.00 73.43 H new ATOM 1588 N PRO A 99 0.530 -7.957 30.755 1.00 33.13 N ATOM 1589 CA PRO A 99 0.607 -8.378 32.157 1.00 11.04 C ATOM 1590 C PRO A 99 1.752 -7.702 32.903 1.00 23.03 C ATOM 1591 O PRO A 99 2.460 -6.864 32.345 1.00 42.13 O ATOM 1592 CB PRO A 99 0.847 -9.887 32.062 1.00 4.31 C ATOM 1593 CG PRO A 99 1.495 -10.084 30.735 1.00 73.10 C ATOM 1594 CD PRO A 99 0.909 -9.037 29.829 1.00 52.04 C ATOM 0 HA PRO A 99 -0.291 -8.110 32.713 1.00 11.04 H new ATOM 0 HB2 PRO A 99 1.487 -10.238 32.871 1.00 4.31 H new ATOM 0 HB3 PRO A 99 -0.089 -10.442 32.132 1.00 4.31 H new ATOM 0 HG2 PRO A 99 2.577 -9.975 30.809 1.00 73.10 H new ATOM 0 HG3 PRO A 99 1.301 -11.085 30.351 1.00 73.10 H new ATOM 0 HD2 PRO A 99 1.633 -8.696 29.089 1.00 52.04 H new ATOM 0 HD3 PRO A 99 0.047 -9.417 29.281 1.00 52.04 H new ATOM 1602 N ARG A 100 1.929 -8.072 34.167 1.00 21.14 N ATOM 1603 CA ARG A 100 2.989 -7.500 34.990 1.00 74.52 C ATOM 1604 C ARG A 100 4.363 -7.851 34.427 1.00 72.12 C ATOM 1605 O ARG A 100 5.250 -7.000 34.352 1.00 34.42 O ATOM 1606 CB ARG A 100 2.872 -8.003 36.430 1.00 5.52 C ATOM 1607 CG ARG A 100 1.995 -7.128 37.311 1.00 30.30 C ATOM 1608 CD ARG A 100 0.519 -7.422 37.094 1.00 71.43 C ATOM 1609 NE ARG A 100 -0.319 -6.801 38.116 1.00 72.22 N ATOM 1610 CZ ARG A 100 -1.627 -7.009 38.219 1.00 12.34 C ATOM 1611 NH1 ARG A 100 -2.243 -7.817 37.368 1.00 20.30 N ATOM 1612 NH2 ARG A 100 -2.322 -6.407 39.177 1.00 62.14 N ATOM 0 H ARG A 100 1.352 -8.765 34.644 1.00 21.14 H new ATOM 0 HA ARG A 100 2.878 -6.416 34.981 1.00 74.52 H new ATOM 0 HB2 ARG A 100 2.468 -9.015 36.421 1.00 5.52 H new ATOM 0 HB3 ARG A 100 3.869 -8.062 36.868 1.00 5.52 H new ATOM 0 HG2 ARG A 100 2.250 -7.293 38.358 1.00 30.30 H new ATOM 0 HG3 ARG A 100 2.194 -6.078 37.096 1.00 30.30 H new ATOM 0 HD2 ARG A 100 0.218 -7.061 36.110 1.00 71.43 H new ATOM 0 HD3 ARG A 100 0.359 -8.500 37.100 1.00 71.43 H new ATOM 0 HE ARG A 100 0.124 -6.174 38.787 1.00 72.22 H new ATOM 0 HH11 ARG A 100 -1.713 -8.282 36.631 1.00 20.30 H new ATOM 0 HH12 ARG A 100 -3.247 -7.974 37.450 1.00 20.30 H new ATOM 0 HH21 ARG A 100 -1.852 -5.785 39.834 1.00 62.14 H new ATOM 0 HH22 ARG A 100 -3.326 -6.567 39.256 1.00 62.14 H new ATOM 1626 N ASP A 101 4.532 -9.108 34.033 1.00 73.42 N ATOM 1627 CA ASP A 101 5.797 -9.572 33.476 1.00 4.12 C ATOM 1628 C ASP A 101 6.169 -8.771 32.232 1.00 25.21 C ATOM 1629 O ASP A 101 7.318 -8.357 32.068 1.00 71.34 O ATOM 1630 CB ASP A 101 5.714 -11.060 33.134 1.00 70.21 C ATOM 1631 CG ASP A 101 5.289 -11.904 34.319 1.00 32.04 C ATOM 1632 OD1 ASP A 101 5.872 -11.731 35.410 1.00 51.12 O ATOM 1633 OD2 ASP A 101 4.373 -12.738 34.157 1.00 65.23 O ATOM 0 H ASP A 101 3.808 -9.825 34.089 1.00 73.42 H new ATOM 0 HA ASP A 101 6.572 -9.423 34.227 1.00 4.12 H new ATOM 0 HB2 ASP A 101 5.006 -11.203 32.317 1.00 70.21 H new ATOM 0 HB3 ASP A 101 6.685 -11.403 32.778 1.00 70.21 H new ATOM 1638 N LEU A 102 5.192 -8.557 31.358 1.00 20.24 N ATOM 1639 CA LEU A 102 5.417 -7.807 30.128 1.00 54.32 C ATOM 1640 C LEU A 102 5.844 -6.375 30.434 1.00 42.25 C ATOM 1641 O LEU A 102 6.749 -5.836 29.796 1.00 4.02 O ATOM 1642 CB LEU A 102 4.149 -7.801 29.272 1.00 15.32 C ATOM 1643 CG LEU A 102 4.096 -8.830 28.143 1.00 71.21 C ATOM 1644 CD1 LEU A 102 5.294 -8.672 27.220 1.00 41.21 C ATOM 1645 CD2 LEU A 102 4.040 -10.241 28.710 1.00 71.31 C ATOM 0 H LEU A 102 4.236 -8.892 31.478 1.00 20.24 H new ATOM 0 HA LEU A 102 6.219 -8.296 29.575 1.00 54.32 H new ATOM 0 HB2 LEU A 102 3.293 -7.965 29.926 1.00 15.32 H new ATOM 0 HB3 LEU A 102 4.033 -6.808 28.837 1.00 15.32 H new ATOM 0 HG LEU A 102 3.190 -8.657 27.562 1.00 71.21 H new ATOM 0 HD11 LEU A 102 5.239 -9.413 26.422 1.00 41.21 H new ATOM 0 HD12 LEU A 102 5.290 -7.672 26.787 1.00 41.21 H new ATOM 0 HD13 LEU A 102 6.213 -8.818 27.788 1.00 41.21 H new ATOM 0 HD21 LEU A 102 4.003 -10.961 27.892 1.00 71.31 H new ATOM 0 HD22 LEU A 102 4.928 -10.425 29.315 1.00 71.31 H new ATOM 0 HD23 LEU A 102 3.150 -10.349 29.329 1.00 71.31 H new ATOM 1657 N LYS A 103 5.189 -5.764 31.414 1.00 14.24 N ATOM 1658 CA LYS A 103 5.502 -4.395 31.809 1.00 61.44 C ATOM 1659 C LYS A 103 6.999 -4.228 32.049 1.00 41.11 C ATOM 1660 O LYS A 103 7.562 -3.160 31.806 1.00 71.23 O ATOM 1661 CB LYS A 103 4.726 -4.016 33.072 1.00 25.42 C ATOM 1662 CG LYS A 103 3.243 -3.796 32.832 1.00 10.21 C ATOM 1663 CD LYS A 103 2.888 -2.319 32.854 1.00 2.51 C ATOM 1664 CE LYS A 103 1.465 -2.094 33.342 1.00 60.33 C ATOM 1665 NZ LYS A 103 1.079 -0.657 33.285 1.00 61.24 N ATOM 0 H LYS A 103 4.437 -6.195 31.951 1.00 14.24 H new ATOM 0 HA LYS A 103 5.206 -3.732 30.996 1.00 61.44 H new ATOM 0 HB2 LYS A 103 4.852 -4.803 33.816 1.00 25.42 H new ATOM 0 HB3 LYS A 103 5.156 -3.107 33.493 1.00 25.42 H new ATOM 0 HG2 LYS A 103 2.962 -4.225 31.870 1.00 10.21 H new ATOM 0 HG3 LYS A 103 2.668 -4.321 33.595 1.00 10.21 H new ATOM 0 HD2 LYS A 103 3.584 -1.786 33.502 1.00 2.51 H new ATOM 0 HD3 LYS A 103 3.001 -1.902 31.853 1.00 2.51 H new ATOM 0 HE2 LYS A 103 0.776 -2.679 32.733 1.00 60.33 H new ATOM 0 HE3 LYS A 103 1.371 -2.455 34.366 1.00 60.33 H new ATOM 0 HZ1 LYS A 103 1.260 -0.212 34.208 1.00 61.24 H new ATOM 0 HZ2 LYS A 103 1.639 -0.176 32.553 1.00 61.24 H new ATOM 0 HZ3 LYS A 103 0.068 -0.578 33.055 1.00 61.24 H new ATOM 1679 N LYS A 104 7.640 -5.290 32.526 1.00 15.43 N ATOM 1680 CA LYS A 104 9.072 -5.262 32.797 1.00 10.10 C ATOM 1681 C LYS A 104 9.871 -5.236 31.498 1.00 72.52 C ATOM 1682 O LYS A 104 10.869 -4.524 31.384 1.00 32.52 O ATOM 1683 CB LYS A 104 9.477 -6.477 33.634 1.00 64.53 C ATOM 1684 CG LYS A 104 9.538 -6.196 35.125 1.00 20.51 C ATOM 1685 CD LYS A 104 8.172 -6.339 35.775 1.00 1.44 C ATOM 1686 CE LYS A 104 7.403 -5.027 35.748 1.00 13.24 C ATOM 1687 NZ LYS A 104 7.596 -4.245 37.001 1.00 51.32 N ATOM 0 H LYS A 104 7.189 -6.181 32.733 1.00 15.43 H new ATOM 0 HA LYS A 104 9.293 -4.353 33.357 1.00 10.10 H new ATOM 0 HB2 LYS A 104 8.767 -7.284 33.454 1.00 64.53 H new ATOM 0 HB3 LYS A 104 10.453 -6.829 33.299 1.00 64.53 H new ATOM 0 HG2 LYS A 104 10.240 -6.883 35.597 1.00 20.51 H new ATOM 0 HG3 LYS A 104 9.917 -5.188 35.291 1.00 20.51 H new ATOM 0 HD2 LYS A 104 7.600 -7.108 35.257 1.00 1.44 H new ATOM 0 HD3 LYS A 104 8.291 -6.671 36.806 1.00 1.44 H new ATOM 0 HE2 LYS A 104 7.729 -4.432 34.895 1.00 13.24 H new ATOM 0 HE3 LYS A 104 6.342 -5.231 35.607 1.00 13.24 H new ATOM 0 HZ1 LYS A 104 7.056 -3.358 36.943 1.00 51.32 H new ATOM 0 HZ2 LYS A 104 7.261 -4.802 37.813 1.00 51.32 H new ATOM 0 HZ3 LYS A 104 8.606 -4.028 37.123 1.00 51.32 H new ATOM 1701 N LYS A 105 9.425 -6.017 30.519 1.00 11.31 N ATOM 1702 CA LYS A 105 10.096 -6.082 29.226 1.00 32.22 C ATOM 1703 C LYS A 105 9.824 -4.824 28.408 1.00 41.01 C ATOM 1704 O LYS A 105 10.682 -4.364 27.653 1.00 23.42 O ATOM 1705 CB LYS A 105 9.633 -7.318 28.451 1.00 44.34 C ATOM 1706 CG LYS A 105 9.832 -8.620 29.207 1.00 55.02 C ATOM 1707 CD LYS A 105 11.225 -9.185 28.989 1.00 60.15 C ATOM 1708 CE LYS A 105 11.578 -10.222 30.044 1.00 14.22 C ATOM 1709 NZ LYS A 105 13.050 -10.360 30.216 1.00 44.13 N ATOM 0 H LYS A 105 8.601 -6.614 30.597 1.00 11.31 H new ATOM 0 HA LYS A 105 11.169 -6.153 29.404 1.00 32.22 H new ATOM 0 HB2 LYS A 105 8.577 -7.208 28.206 1.00 44.34 H new ATOM 0 HB3 LYS A 105 10.176 -7.369 27.507 1.00 44.34 H new ATOM 0 HG2 LYS A 105 9.669 -8.452 30.272 1.00 55.02 H new ATOM 0 HG3 LYS A 105 9.088 -9.348 28.882 1.00 55.02 H new ATOM 0 HD2 LYS A 105 11.284 -9.637 27.999 1.00 60.15 H new ATOM 0 HD3 LYS A 105 11.955 -8.376 29.014 1.00 60.15 H new ATOM 0 HE2 LYS A 105 11.126 -9.941 30.995 1.00 14.22 H new ATOM 0 HE3 LYS A 105 11.153 -11.186 29.762 1.00 14.22 H new ATOM 0 HZ1 LYS A 105 13.249 -11.076 30.944 1.00 44.13 H new ATOM 0 HZ2 LYS A 105 13.479 -10.653 29.315 1.00 44.13 H new ATOM 0 HZ3 LYS A 105 13.452 -9.447 30.510 1.00 44.13 H new ATOM 1723 N LEU A 106 8.627 -4.270 28.563 1.00 75.32 N ATOM 1724 CA LEU A 106 8.242 -3.063 27.839 1.00 22.40 C ATOM 1725 C LEU A 106 8.838 -1.822 28.495 1.00 14.05 C ATOM 1726 O LEU A 106 9.198 -0.861 27.816 1.00 14.53 O ATOM 1727 CB LEU A 106 6.718 -2.943 27.782 1.00 44.23 C ATOM 1728 CG LEU A 106 6.170 -1.672 27.131 1.00 34.44 C ATOM 1729 CD1 LEU A 106 4.865 -1.964 26.407 1.00 34.41 C ATOM 1730 CD2 LEU A 106 5.970 -0.582 28.174 1.00 24.55 C ATOM 0 H LEU A 106 7.906 -4.637 29.184 1.00 75.32 H new ATOM 0 HA LEU A 106 8.632 -3.137 26.824 1.00 22.40 H new ATOM 0 HB2 LEU A 106 6.326 -3.803 27.240 1.00 44.23 H new ATOM 0 HB3 LEU A 106 6.330 -3.003 28.799 1.00 44.23 H new ATOM 0 HG LEU A 106 6.897 -1.319 26.400 1.00 34.44 H new ATOM 0 HD11 LEU A 106 4.490 -1.048 25.950 1.00 34.41 H new ATOM 0 HD12 LEU A 106 5.038 -2.712 25.633 1.00 34.41 H new ATOM 0 HD13 LEU A 106 4.131 -2.342 27.119 1.00 34.41 H new ATOM 0 HD21 LEU A 106 5.580 0.315 27.693 1.00 24.55 H new ATOM 0 HD22 LEU A 106 5.263 -0.926 28.929 1.00 24.55 H new ATOM 0 HD23 LEU A 106 6.924 -0.353 28.649 1.00 24.55 H new ATOM 1742 N SER A 107 8.940 -1.851 29.820 1.00 3.04 N ATOM 1743 CA SER A 107 9.491 -0.727 30.569 1.00 31.42 C ATOM 1744 C SER A 107 10.865 -0.338 30.033 1.00 60.14 C ATOM 1745 O SER A 107 11.156 0.842 29.837 1.00 13.11 O ATOM 1746 CB SER A 107 9.592 -1.078 32.055 1.00 14.30 C ATOM 1747 OG SER A 107 10.613 -0.326 32.688 1.00 33.31 O ATOM 0 H SER A 107 8.649 -2.640 30.397 1.00 3.04 H new ATOM 0 HA SER A 107 8.819 0.123 30.448 1.00 31.42 H new ATOM 0 HB2 SER A 107 8.637 -0.884 32.543 1.00 14.30 H new ATOM 0 HB3 SER A 107 9.797 -2.143 32.167 1.00 14.30 H new ATOM 0 HG SER A 107 10.657 -0.567 33.637 1.00 33.31 H new ATOM 1753 N ARG A 108 11.706 -1.339 29.797 1.00 64.44 N ATOM 1754 CA ARG A 108 13.051 -1.103 29.284 1.00 74.11 C ATOM 1755 C ARG A 108 13.004 -0.630 27.834 1.00 0.30 C ATOM 1756 O ARG A 108 13.787 0.227 27.424 1.00 24.10 O ATOM 1757 CB ARG A 108 13.891 -2.377 29.389 1.00 72.11 C ATOM 1758 CG ARG A 108 13.262 -3.579 28.704 1.00 62.44 C ATOM 1759 CD ARG A 108 14.155 -4.806 28.801 1.00 24.32 C ATOM 1760 NE ARG A 108 15.461 -4.583 28.187 1.00 43.23 N ATOM 1761 CZ ARG A 108 16.459 -5.458 28.242 1.00 20.01 C ATOM 1762 NH1 ARG A 108 16.301 -6.609 28.880 1.00 34.42 N ATOM 1763 NH2 ARG A 108 17.618 -5.182 27.658 1.00 61.52 N ATOM 0 H ARG A 108 11.480 -2.321 29.953 1.00 64.44 H new ATOM 0 HA ARG A 108 13.512 -0.322 29.889 1.00 74.11 H new ATOM 0 HB2 ARG A 108 14.872 -2.192 28.951 1.00 72.11 H new ATOM 0 HB3 ARG A 108 14.050 -2.611 30.442 1.00 72.11 H new ATOM 0 HG2 ARG A 108 12.295 -3.794 29.160 1.00 62.44 H new ATOM 0 HG3 ARG A 108 13.075 -3.345 27.656 1.00 62.44 H new ATOM 0 HD2 ARG A 108 14.288 -5.075 29.849 1.00 24.32 H new ATOM 0 HD3 ARG A 108 13.665 -5.650 28.315 1.00 24.32 H new ATOM 0 HE ARG A 108 15.616 -3.707 27.688 1.00 43.23 H new ATOM 0 HH11 ARG A 108 15.411 -6.825 29.330 1.00 34.42 H new ATOM 0 HH12 ARG A 108 17.069 -7.279 28.921 1.00 34.42 H new ATOM 0 HH21 ARG A 108 17.743 -4.297 27.166 1.00 61.52 H new ATOM 0 HH22 ARG A 108 18.384 -5.855 27.701 1.00 61.52 H new ATOM 1777 N VAL A 109 12.081 -1.194 27.062 1.00 14.10 N ATOM 1778 CA VAL A 109 11.931 -0.830 25.658 1.00 1.42 C ATOM 1779 C VAL A 109 11.679 0.666 25.502 1.00 23.13 C ATOM 1780 O VAL A 109 12.334 1.337 24.704 1.00 21.15 O ATOM 1781 CB VAL A 109 10.776 -1.605 24.997 1.00 22.20 C ATOM 1782 CG1 VAL A 109 10.591 -1.160 23.554 1.00 20.23 C ATOM 1783 CG2 VAL A 109 11.029 -3.103 25.073 1.00 34.34 C ATOM 0 H VAL A 109 11.425 -1.905 27.385 1.00 14.10 H new ATOM 0 HA VAL A 109 12.865 -1.092 25.162 1.00 1.42 H new ATOM 0 HB VAL A 109 9.857 -1.386 25.540 1.00 22.20 H new ATOM 0 HG11 VAL A 109 9.771 -1.719 23.103 1.00 20.23 H new ATOM 0 HG12 VAL A 109 10.362 -0.095 23.528 1.00 20.23 H new ATOM 0 HG13 VAL A 109 11.508 -1.348 22.995 1.00 20.23 H new ATOM 0 HG21 VAL A 109 10.203 -3.636 24.601 1.00 34.34 H new ATOM 0 HG22 VAL A 109 11.958 -3.342 24.555 1.00 34.34 H new ATOM 0 HG23 VAL A 109 11.107 -3.406 26.117 1.00 34.34 H new ATOM 1793 N VAL A 110 10.726 1.183 26.271 1.00 52.24 N ATOM 1794 CA VAL A 110 10.388 2.601 26.220 1.00 72.54 C ATOM 1795 C VAL A 110 11.600 3.467 26.545 1.00 75.50 C ATOM 1796 O VAL A 110 11.768 4.550 25.988 1.00 50.40 O ATOM 1797 CB VAL A 110 9.249 2.942 27.199 1.00 70.41 C ATOM 1798 CG1 VAL A 110 8.913 4.424 27.133 1.00 65.32 C ATOM 1799 CG2 VAL A 110 8.021 2.095 26.903 1.00 75.34 C ATOM 0 H VAL A 110 10.174 0.642 26.937 1.00 52.24 H new ATOM 0 HA VAL A 110 10.058 2.811 25.203 1.00 72.54 H new ATOM 0 HB VAL A 110 9.584 2.715 28.211 1.00 70.41 H new ATOM 0 HG11 VAL A 110 8.106 4.646 27.832 1.00 65.32 H new ATOM 0 HG12 VAL A 110 9.794 5.009 27.398 1.00 65.32 H new ATOM 0 HG13 VAL A 110 8.598 4.681 26.122 1.00 65.32 H new ATOM 0 HG21 VAL A 110 7.226 2.349 27.604 1.00 75.34 H new ATOM 0 HG22 VAL A 110 7.682 2.288 25.885 1.00 75.34 H new ATOM 0 HG23 VAL A 110 8.273 1.040 27.007 1.00 75.34 H new ATOM 1809 N ASN A 111 12.442 2.980 27.451 1.00 73.13 N ATOM 1810 CA ASN A 111 13.639 3.710 27.851 1.00 62.30 C ATOM 1811 C ASN A 111 14.625 3.816 26.691 1.00 32.42 C ATOM 1812 O ASN A 111 15.212 4.872 26.457 1.00 52.42 O ATOM 1813 CB ASN A 111 14.308 3.020 29.042 1.00 51.11 C ATOM 1814 CG ASN A 111 13.504 3.164 30.320 1.00 73.15 C ATOM 1815 OD1 ASN A 111 12.751 4.124 30.488 1.00 60.54 O ATOM 1816 ND2 ASN A 111 13.660 2.208 31.228 1.00 62.23 N ATOM 0 H ASN A 111 12.317 2.084 27.922 1.00 73.13 H new ATOM 0 HA ASN A 111 13.340 4.717 28.143 1.00 62.30 H new ATOM 0 HB2 ASN A 111 14.442 1.962 28.817 1.00 51.11 H new ATOM 0 HB3 ASN A 111 15.302 3.442 29.192 1.00 51.11 H new ATOM 0 HD21 ASN A 111 13.145 2.251 32.107 1.00 62.23 H new ATOM 0 HD22 ASN A 111 14.295 1.431 31.046 1.00 62.23 H new ATOM 1823 N ILE A 112 14.801 2.714 25.969 1.00 14.20 N ATOM 1824 CA ILE A 112 15.713 2.684 24.833 1.00 63.20 C ATOM 1825 C ILE A 112 15.429 3.830 23.868 1.00 34.12 C ATOM 1826 O ILE A 112 16.348 4.489 23.381 1.00 2.02 O ATOM 1827 CB ILE A 112 15.618 1.350 24.070 1.00 71.53 C ATOM 1828 CG1 ILE A 112 15.956 0.181 24.997 1.00 23.25 C ATOM 1829 CG2 ILE A 112 16.546 1.362 22.864 1.00 74.50 C ATOM 1830 CD1 ILE A 112 15.379 -1.140 24.540 1.00 31.43 C ATOM 0 H ILE A 112 14.324 1.831 26.151 1.00 14.20 H new ATOM 0 HA ILE A 112 16.720 2.793 25.235 1.00 63.20 H new ATOM 0 HB ILE A 112 14.595 1.224 23.716 1.00 71.53 H new ATOM 0 HG12 ILE A 112 17.040 0.089 25.071 1.00 23.25 H new ATOM 0 HG13 ILE A 112 15.586 0.403 25.998 1.00 23.25 H new ATOM 0 HG21 ILE A 112 16.467 0.412 22.335 1.00 74.50 H new ATOM 0 HG22 ILE A 112 16.263 2.174 22.195 1.00 74.50 H new ATOM 0 HG23 ILE A 112 17.574 1.508 23.197 1.00 74.50 H new ATOM 0 HD11 ILE A 112 15.659 -1.923 25.245 1.00 31.43 H new ATOM 0 HD12 ILE A 112 14.293 -1.066 24.493 1.00 31.43 H new ATOM 0 HD13 ILE A 112 15.769 -1.385 23.552 1.00 31.43 H new ATOM 1842 N LEU A 113 14.149 4.064 23.597 1.00 23.34 N ATOM 1843 CA LEU A 113 13.742 5.132 22.692 1.00 50.52 C ATOM 1844 C LEU A 113 14.347 6.466 23.117 1.00 43.54 C ATOM 1845 O LEU A 113 14.717 7.288 22.278 1.00 44.22 O ATOM 1846 CB LEU A 113 12.217 5.241 22.653 1.00 74.02 C ATOM 1847 CG LEU A 113 11.472 4.029 22.092 1.00 13.01 C ATOM 1848 CD1 LEU A 113 9.976 4.163 22.334 1.00 22.10 C ATOM 1849 CD2 LEU A 113 11.761 3.865 20.607 1.00 0.31 C ATOM 0 H LEU A 113 13.376 3.528 23.991 1.00 23.34 H new ATOM 0 HA LEU A 113 14.109 4.889 21.695 1.00 50.52 H new ATOM 0 HB2 LEU A 113 11.860 5.425 23.666 1.00 74.02 H new ATOM 0 HB3 LEU A 113 11.950 6.114 22.057 1.00 74.02 H new ATOM 0 HG LEU A 113 11.825 3.138 22.611 1.00 13.01 H new ATOM 0 HD11 LEU A 113 9.462 3.292 21.928 1.00 22.10 H new ATOM 0 HD12 LEU A 113 9.785 4.230 23.405 1.00 22.10 H new ATOM 0 HD13 LEU A 113 9.607 5.063 21.842 1.00 22.10 H new ATOM 0 HD21 LEU A 113 11.222 2.998 20.225 1.00 0.31 H new ATOM 0 HD22 LEU A 113 11.437 4.758 20.072 1.00 0.31 H new ATOM 0 HD23 LEU A 113 12.831 3.722 20.458 1.00 0.31 H new ATOM 1861 N LYS A 114 14.447 6.675 24.425 1.00 24.11 N ATOM 1862 CA LYS A 114 15.011 7.907 24.963 1.00 2.21 C ATOM 1863 C LYS A 114 16.524 7.942 24.774 1.00 63.55 C ATOM 1864 O LYS A 114 17.114 9.009 24.609 1.00 13.01 O ATOM 1865 CB LYS A 114 14.669 8.043 26.449 1.00 65.33 C ATOM 1866 CG LYS A 114 13.219 7.726 26.770 1.00 2.35 C ATOM 1867 CD LYS A 114 12.742 8.486 27.997 1.00 73.40 C ATOM 1868 CE LYS A 114 13.259 7.854 29.280 1.00 23.01 C ATOM 1869 NZ LYS A 114 12.832 8.617 30.486 1.00 71.25 N ATOM 0 H LYS A 114 14.144 6.006 25.133 1.00 24.11 H new ATOM 0 HA LYS A 114 14.575 8.744 24.418 1.00 2.21 H new ATOM 0 HB2 LYS A 114 15.314 7.378 27.024 1.00 65.33 H new ATOM 0 HB3 LYS A 114 14.890 9.060 26.773 1.00 65.33 H new ATOM 0 HG2 LYS A 114 12.592 7.981 25.916 1.00 2.35 H new ATOM 0 HG3 LYS A 114 13.108 6.655 26.938 1.00 2.35 H new ATOM 0 HD2 LYS A 114 13.079 9.521 27.939 1.00 73.40 H new ATOM 0 HD3 LYS A 114 11.652 8.506 28.013 1.00 73.40 H new ATOM 0 HE2 LYS A 114 12.896 6.829 29.352 1.00 23.01 H new ATOM 0 HE3 LYS A 114 14.347 7.805 29.248 1.00 23.01 H new ATOM 0 HZ1 LYS A 114 13.205 8.154 31.340 1.00 71.25 H new ATOM 0 HZ2 LYS A 114 13.200 9.588 30.430 1.00 71.25 H new ATOM 0 HZ3 LYS A 114 11.793 8.642 30.531 1.00 71.25 H new ATOM 1883 N GLU A 115 17.146 6.767 24.796 1.00 31.44 N ATOM 1884 CA GLU A 115 18.590 6.664 24.626 1.00 5.02 C ATOM 1885 C GLU A 115 18.980 6.847 23.162 1.00 22.42 C ATOM 1886 O GLU A 115 19.910 7.588 22.844 1.00 11.42 O ATOM 1887 CB GLU A 115 19.091 5.310 25.134 1.00 43.14 C ATOM 1888 CG GLU A 115 19.057 5.177 26.647 1.00 63.32 C ATOM 1889 CD GLU A 115 19.805 6.294 27.348 1.00 51.31 C ATOM 1890 OE1 GLU A 115 21.053 6.256 27.363 1.00 32.44 O ATOM 1891 OE2 GLU A 115 19.141 7.208 27.881 1.00 50.11 O ATOM 0 H GLU A 115 16.672 5.874 24.930 1.00 31.44 H new ATOM 0 HA GLU A 115 19.056 7.458 25.210 1.00 5.02 H new ATOM 0 HB2 GLU A 115 18.483 4.519 24.694 1.00 43.14 H new ATOM 0 HB3 GLU A 115 20.113 5.157 24.787 1.00 43.14 H new ATOM 0 HG2 GLU A 115 18.020 5.171 26.984 1.00 63.32 H new ATOM 0 HG3 GLU A 115 19.491 4.219 26.934 1.00 63.32 H new ATOM 1898 N ARG A 116 18.263 6.164 22.276 1.00 52.34 N ATOM 1899 CA ARG A 116 18.534 6.249 20.846 1.00 51.34 C ATOM 1900 C ARG A 116 17.978 7.545 20.263 1.00 51.22 C ATOM 1901 O ARG A 116 18.359 7.959 19.169 1.00 74.34 O ATOM 1902 CB ARG A 116 17.927 5.048 20.118 1.00 40.54 C ATOM 1903 CG ARG A 116 18.241 3.715 20.776 1.00 61.14 C ATOM 1904 CD ARG A 116 19.741 3.492 20.894 1.00 73.50 C ATOM 1905 NE ARG A 116 20.078 2.073 20.981 1.00 14.23 N ATOM 1906 CZ ARG A 116 21.303 1.596 20.795 1.00 43.20 C ATOM 1907 NH1 ARG A 116 22.303 2.420 20.513 1.00 41.01 N ATOM 1908 NH2 ARG A 116 21.531 0.292 20.891 1.00 11.52 N ATOM 0 H ARG A 116 17.490 5.546 22.523 1.00 52.34 H new ATOM 0 HA ARG A 116 19.615 6.242 20.706 1.00 51.34 H new ATOM 0 HB2 ARG A 116 16.845 5.173 20.068 1.00 40.54 H new ATOM 0 HB3 ARG A 116 18.294 5.032 19.092 1.00 40.54 H new ATOM 0 HG2 ARG A 116 17.788 3.681 21.767 1.00 61.14 H new ATOM 0 HG3 ARG A 116 17.796 2.907 20.195 1.00 61.14 H new ATOM 0 HD2 ARG A 116 20.242 3.931 20.031 1.00 73.50 H new ATOM 0 HD3 ARG A 116 20.116 4.009 21.778 1.00 73.50 H new ATOM 0 HE ARG A 116 19.331 1.413 21.196 1.00 14.23 H new ATOM 0 HH11 ARG A 116 22.132 3.423 20.439 1.00 41.01 H new ATOM 0 HH12 ARG A 116 23.243 2.051 20.371 1.00 41.01 H new ATOM 0 HH21 ARG A 116 20.765 -0.345 21.108 1.00 11.52 H new ATOM 0 HH22 ARG A 116 22.473 -0.073 20.748 1.00 11.52 H new ATOM 1922 N ASN A 117 17.075 8.181 21.002 1.00 34.21 N ATOM 1923 CA ASN A 117 16.465 9.429 20.558 1.00 1.23 C ATOM 1924 C ASN A 117 15.812 9.259 19.190 1.00 14.21 C ATOM 1925 O ASN A 117 15.999 10.084 18.295 1.00 71.20 O ATOM 1926 CB ASN A 117 17.515 10.541 20.500 1.00 34.10 C ATOM 1927 CG ASN A 117 18.516 10.451 21.636 1.00 54.13 C ATOM 1928 OD1 ASN A 117 18.178 10.687 22.796 1.00 73.51 O ATOM 1929 ND2 ASN A 117 19.756 10.109 21.306 1.00 54.35 N ATOM 0 H ASN A 117 16.749 7.853 21.911 1.00 34.21 H new ATOM 0 HA ASN A 117 15.693 9.704 21.277 1.00 1.23 H new ATOM 0 HB2 ASN A 117 18.044 10.488 19.548 1.00 34.10 H new ATOM 0 HB3 ASN A 117 17.017 11.510 20.534 1.00 34.10 H new ATOM 0 HD21 ASN A 117 20.473 10.033 22.027 1.00 54.35 H new ATOM 0 HD22 ASN A 117 19.991 9.922 20.331 1.00 54.35 H new ATOM 1936 N ILE A 118 15.044 8.185 19.036 1.00 5.33 N ATOM 1937 CA ILE A 118 14.362 7.908 17.778 1.00 1.45 C ATOM 1938 C ILE A 118 13.269 8.937 17.508 1.00 62.21 C ATOM 1939 O ILE A 118 13.366 9.730 16.571 1.00 22.11 O ATOM 1940 CB ILE A 118 13.739 6.500 17.774 1.00 14.14 C ATOM 1941 CG1 ILE A 118 14.773 5.459 18.208 1.00 51.40 C ATOM 1942 CG2 ILE A 118 13.191 6.167 16.395 1.00 53.54 C ATOM 1943 CD1 ILE A 118 15.941 5.335 17.255 1.00 1.01 C ATOM 0 H ILE A 118 14.879 7.493 19.767 1.00 5.33 H new ATOM 0 HA ILE A 118 15.114 7.965 16.991 1.00 1.45 H new ATOM 0 HB ILE A 118 12.913 6.483 18.485 1.00 14.14 H new ATOM 0 HG12 ILE A 118 15.148 5.721 19.197 1.00 51.40 H new ATOM 0 HG13 ILE A 118 14.284 4.489 18.299 1.00 51.40 H new ATOM 0 HG21 ILE A 118 12.754 5.169 16.409 1.00 53.54 H new ATOM 0 HG22 ILE A 118 12.426 6.894 16.122 1.00 53.54 H new ATOM 0 HG23 ILE A 118 13.999 6.199 15.665 1.00 53.54 H new ATOM 0 HD11 ILE A 118 16.634 4.580 17.625 1.00 1.01 H new ATOM 0 HD12 ILE A 118 15.577 5.042 16.270 1.00 1.01 H new ATOM 0 HD13 ILE A 118 16.454 6.294 17.182 1.00 1.01 H new ATOM 1955 N PHE A 119 12.230 8.919 18.336 1.00 53.14 N ATOM 1956 CA PHE A 119 11.118 9.851 18.187 1.00 71.23 C ATOM 1957 C PHE A 119 11.457 11.205 18.803 1.00 33.12 C ATOM 1958 O PHE A 119 12.407 11.327 19.576 1.00 34.35 O ATOM 1959 CB PHE A 119 9.857 9.282 18.840 1.00 73.42 C ATOM 1960 CG PHE A 119 9.607 7.839 18.505 1.00 61.13 C ATOM 1961 CD1 PHE A 119 9.601 7.411 17.187 1.00 63.10 C ATOM 1962 CD2 PHE A 119 9.378 6.911 19.508 1.00 75.24 C ATOM 1963 CE1 PHE A 119 9.372 6.084 16.875 1.00 23.01 C ATOM 1964 CE2 PHE A 119 9.148 5.583 19.202 1.00 64.41 C ATOM 1965 CZ PHE A 119 9.144 5.169 17.884 1.00 25.21 C ATOM 0 H PHE A 119 12.135 8.270 19.117 1.00 53.14 H new ATOM 0 HA PHE A 119 10.935 9.992 17.122 1.00 71.23 H new ATOM 0 HB2 PHE A 119 9.939 9.387 19.922 1.00 73.42 H new ATOM 0 HB3 PHE A 119 8.997 9.874 18.527 1.00 73.42 H new ATOM 0 HD1 PHE A 119 9.777 8.123 16.394 1.00 63.10 H new ATOM 0 HD2 PHE A 119 9.379 7.229 20.540 1.00 75.24 H new ATOM 0 HE1 PHE A 119 9.371 5.763 15.844 1.00 23.01 H new ATOM 0 HE2 PHE A 119 8.971 4.869 19.993 1.00 64.41 H new ATOM 0 HZ PHE A 119 8.963 4.132 17.643 1.00 25.21 H new ATOM 1975 N SER A 120 10.673 12.220 18.454 1.00 13.03 N ATOM 1976 CA SER A 120 10.891 13.567 18.969 1.00 24.32 C ATOM 1977 C SER A 120 10.253 13.733 20.345 1.00 70.51 C ATOM 1978 O SER A 120 9.650 12.801 20.879 1.00 4.45 O ATOM 1979 CB SER A 120 10.320 14.605 18.001 1.00 25.40 C ATOM 1980 OG SER A 120 11.255 14.921 16.983 1.00 34.15 O ATOM 0 H SER A 120 9.881 12.135 17.817 1.00 13.03 H new ATOM 0 HA SER A 120 11.966 13.723 19.065 1.00 24.32 H new ATOM 0 HB2 SER A 120 9.404 14.223 17.552 1.00 25.40 H new ATOM 0 HB3 SER A 120 10.053 15.509 18.548 1.00 25.40 H new ATOM 0 HG SER A 120 10.866 15.585 16.376 1.00 34.15 H new ATOM 1986 N LYS A 121 10.390 14.926 20.914 1.00 73.44 N ATOM 1987 CA LYS A 121 9.826 15.217 22.226 1.00 5.05 C ATOM 1988 C LYS A 121 8.304 15.124 22.198 1.00 2.42 C ATOM 1989 O LYS A 121 7.689 14.593 23.122 1.00 22.12 O ATOM 1990 CB LYS A 121 10.255 16.611 22.690 1.00 54.32 C ATOM 1991 CG LYS A 121 10.153 16.811 24.192 1.00 23.21 C ATOM 1992 CD LYS A 121 11.277 16.099 24.926 1.00 21.23 C ATOM 1993 CE LYS A 121 12.626 16.739 24.637 1.00 52.44 C ATOM 1994 NZ LYS A 121 13.619 16.449 25.707 1.00 2.03 N ATOM 0 H LYS A 121 10.887 15.707 20.486 1.00 73.44 H new ATOM 0 HA LYS A 121 10.204 14.474 22.929 1.00 5.05 H new ATOM 0 HB2 LYS A 121 11.284 16.788 22.378 1.00 54.32 H new ATOM 0 HB3 LYS A 121 9.637 17.357 22.190 1.00 54.32 H new ATOM 0 HG2 LYS A 121 10.185 17.876 24.421 1.00 23.21 H new ATOM 0 HG3 LYS A 121 9.192 16.437 24.546 1.00 23.21 H new ATOM 0 HD2 LYS A 121 11.084 16.123 25.999 1.00 21.23 H new ATOM 0 HD3 LYS A 121 11.300 15.050 24.629 1.00 21.23 H new ATOM 0 HE2 LYS A 121 13.004 16.373 23.682 1.00 52.44 H new ATOM 0 HE3 LYS A 121 12.503 17.818 24.539 1.00 52.44 H new ATOM 0 HZ1 LYS A 121 14.525 16.903 25.472 1.00 2.03 H new ATOM 0 HZ2 LYS A 121 13.271 16.820 26.614 1.00 2.03 H new ATOM 0 HZ3 LYS A 121 13.757 15.421 25.784 1.00 2.03 H new ATOM 2008 N GLN A 122 7.704 15.643 21.132 1.00 50.40 N ATOM 2009 CA GLN A 122 6.254 15.618 20.984 1.00 34.34 C ATOM 2010 C GLN A 122 5.727 14.187 21.034 1.00 14.41 C ATOM 2011 O GLN A 122 4.637 13.934 21.548 1.00 72.24 O ATOM 2012 CB GLN A 122 5.842 16.280 19.668 1.00 11.04 C ATOM 2013 CG GLN A 122 5.923 17.798 19.700 1.00 63.34 C ATOM 2014 CD GLN A 122 4.778 18.428 20.468 1.00 63.12 C ATOM 2015 OE1 GLN A 122 3.643 17.954 20.412 1.00 1.12 O ATOM 2016 NE2 GLN A 122 5.071 19.503 21.191 1.00 72.41 N ATOM 0 H GLN A 122 8.200 16.086 20.358 1.00 50.40 H new ATOM 0 HA GLN A 122 5.820 16.176 21.814 1.00 34.34 H new ATOM 0 HB2 GLN A 122 6.481 15.907 18.867 1.00 11.04 H new ATOM 0 HB3 GLN A 122 4.821 15.984 19.426 1.00 11.04 H new ATOM 0 HG2 GLN A 122 6.868 18.098 20.153 1.00 63.34 H new ATOM 0 HG3 GLN A 122 5.924 18.179 18.679 1.00 63.34 H new ATOM 0 HE21 GLN A 122 6.026 19.861 21.208 1.00 72.41 H new ATOM 0 HE22 GLN A 122 4.341 19.970 21.729 1.00 72.41 H new ATOM 2025 N VAL A 123 6.507 13.255 20.497 1.00 42.33 N ATOM 2026 CA VAL A 123 6.120 11.850 20.480 1.00 34.24 C ATOM 2027 C VAL A 123 6.368 11.196 21.835 1.00 71.52 C ATOM 2028 O VAL A 123 5.472 10.580 22.412 1.00 21.45 O ATOM 2029 CB VAL A 123 6.886 11.069 19.397 1.00 65.31 C ATOM 2030 CG1 VAL A 123 6.463 9.608 19.391 1.00 31.31 C ATOM 2031 CG2 VAL A 123 6.669 11.701 18.030 1.00 31.24 C ATOM 0 H VAL A 123 7.412 13.448 20.067 1.00 42.33 H new ATOM 0 HA VAL A 123 5.054 11.818 20.254 1.00 34.24 H new ATOM 0 HB VAL A 123 7.950 11.113 19.627 1.00 65.31 H new ATOM 0 HG11 VAL A 123 7.015 9.072 18.619 1.00 31.31 H new ATOM 0 HG12 VAL A 123 6.675 9.164 20.363 1.00 31.31 H new ATOM 0 HG13 VAL A 123 5.395 9.539 19.186 1.00 31.31 H new ATOM 0 HG21 VAL A 123 7.218 11.136 17.277 1.00 31.24 H new ATOM 0 HG22 VAL A 123 5.606 11.690 17.789 1.00 31.24 H new ATOM 0 HG23 VAL A 123 7.027 12.730 18.044 1.00 31.24 H new ATOM 2041 N VAL A 124 7.591 11.334 22.337 1.00 32.43 N ATOM 2042 CA VAL A 124 7.958 10.757 23.625 1.00 14.34 C ATOM 2043 C VAL A 124 7.023 11.240 24.729 1.00 23.23 C ATOM 2044 O VAL A 124 6.529 10.446 25.529 1.00 42.21 O ATOM 2045 CB VAL A 124 9.408 11.110 24.005 1.00 21.52 C ATOM 2046 CG1 VAL A 124 9.753 10.547 25.376 1.00 50.12 C ATOM 2047 CG2 VAL A 124 10.375 10.594 22.950 1.00 52.33 C ATOM 0 H VAL A 124 8.344 11.840 21.872 1.00 32.43 H new ATOM 0 HA VAL A 124 7.870 9.675 23.525 1.00 14.34 H new ATOM 0 HB VAL A 124 9.500 12.195 24.050 1.00 21.52 H new ATOM 0 HG11 VAL A 124 10.781 10.806 25.628 1.00 50.12 H new ATOM 0 HG12 VAL A 124 9.080 10.968 26.122 1.00 50.12 H new ATOM 0 HG13 VAL A 124 9.646 9.462 25.361 1.00 50.12 H new ATOM 0 HG21 VAL A 124 11.395 10.852 23.234 1.00 52.33 H new ATOM 0 HG22 VAL A 124 10.283 9.511 22.871 1.00 52.33 H new ATOM 0 HG23 VAL A 124 10.140 11.049 21.988 1.00 52.33 H new ATOM 2057 N ASN A 125 6.785 12.547 24.766 1.00 22.13 N ATOM 2058 CA ASN A 125 5.910 13.136 25.773 1.00 54.13 C ATOM 2059 C ASN A 125 4.530 12.484 25.743 1.00 44.44 C ATOM 2060 O ASN A 125 3.836 12.431 26.757 1.00 35.15 O ATOM 2061 CB ASN A 125 5.779 14.643 25.545 1.00 13.54 C ATOM 2062 CG ASN A 125 6.853 15.433 26.268 1.00 21.44 C ATOM 2063 OD1 ASN A 125 8.094 14.970 26.171 1.00 74.42 O flip ATOM 2064 ND2 ASN A 125 6.571 16.447 26.907 1.00 71.53 N flip ATOM 0 H ASN A 125 7.186 13.218 24.111 1.00 22.13 H new ATOM 0 HA ASN A 125 6.354 12.960 26.753 1.00 54.13 H new ATOM 0 HB2 ASN A 125 5.835 14.852 24.477 1.00 13.54 H new ATOM 0 HB3 ASN A 125 4.798 14.975 25.884 1.00 13.54 H new ATOM 0 HD21 ASN A 125 5.604 16.767 26.955 1.00 71.53 H new ATOM 0 HD22 ASN A 125 7.305 16.967 27.388 1.00 71.53 H new ATOM 2071 N ASP A 126 4.141 11.990 24.573 1.00 64.23 N ATOM 2072 CA ASP A 126 2.846 11.340 24.410 1.00 62.30 C ATOM 2073 C ASP A 126 2.857 9.945 25.028 1.00 13.22 C ATOM 2074 O ASP A 126 1.892 9.535 25.675 1.00 5.32 O ATOM 2075 CB ASP A 126 2.479 11.251 22.928 1.00 55.50 C ATOM 2076 CG ASP A 126 1.016 10.915 22.713 1.00 20.44 C ATOM 2077 OD1 ASP A 126 0.425 10.252 23.592 1.00 41.43 O ATOM 2078 OD2 ASP A 126 0.463 11.312 21.667 1.00 54.43 O ATOM 0 H ASP A 126 4.704 12.027 23.723 1.00 64.23 H new ATOM 0 HA ASP A 126 2.098 11.941 24.926 1.00 62.30 H new ATOM 0 HB2 ASP A 126 2.706 12.200 22.443 1.00 55.50 H new ATOM 0 HB3 ASP A 126 3.097 10.492 22.448 1.00 55.50 H new ATOM 2083 N ILE A 127 3.952 9.221 24.824 1.00 52.15 N ATOM 2084 CA ILE A 127 4.087 7.873 25.361 1.00 60.12 C ATOM 2085 C ILE A 127 3.842 7.854 26.866 1.00 71.32 C ATOM 2086 O ILE A 127 3.106 7.009 27.373 1.00 34.44 O ATOM 2087 CB ILE A 127 5.483 7.289 25.072 1.00 54.11 C ATOM 2088 CG1 ILE A 127 5.742 7.252 23.564 1.00 33.04 C ATOM 2089 CG2 ILE A 127 5.608 5.896 25.671 1.00 44.21 C ATOM 2090 CD1 ILE A 127 7.210 7.185 23.205 1.00 34.31 C ATOM 0 H ILE A 127 4.759 9.545 24.291 1.00 52.15 H new ATOM 0 HA ILE A 127 3.335 7.259 24.865 1.00 60.12 H new ATOM 0 HB ILE A 127 6.233 7.931 25.535 1.00 54.11 H new ATOM 0 HG12 ILE A 127 5.232 6.389 23.137 1.00 33.04 H new ATOM 0 HG13 ILE A 127 5.304 8.139 23.106 1.00 33.04 H new ATOM 0 HG21 ILE A 127 6.600 5.496 25.459 1.00 44.21 H new ATOM 0 HG22 ILE A 127 5.462 5.949 26.750 1.00 44.21 H new ATOM 0 HG23 ILE A 127 4.852 5.243 25.234 1.00 44.21 H new ATOM 0 HD11 ILE A 127 7.319 7.162 22.121 1.00 34.31 H new ATOM 0 HD12 ILE A 127 7.722 8.061 23.602 1.00 34.31 H new ATOM 0 HD13 ILE A 127 7.648 6.284 23.633 1.00 34.31 H new ATOM 2102 N GLU A 128 4.463 8.792 27.573 1.00 0.41 N ATOM 2103 CA GLU A 128 4.311 8.883 29.020 1.00 11.35 C ATOM 2104 C GLU A 128 2.861 9.173 29.398 1.00 41.40 C ATOM 2105 O GLU A 128 2.297 8.527 30.281 1.00 62.10 O ATOM 2106 CB GLU A 128 5.224 9.974 29.584 1.00 23.11 C ATOM 2107 CG GLU A 128 6.705 9.672 29.422 1.00 35.12 C ATOM 2108 CD GLU A 128 7.254 8.823 30.552 1.00 33.03 C ATOM 2109 OE1 GLU A 128 6.798 7.671 30.705 1.00 35.24 O ATOM 2110 OE2 GLU A 128 8.140 9.312 31.284 1.00 64.44 O ATOM 0 H GLU A 128 5.076 9.499 27.168 1.00 0.41 H new ATOM 0 HA GLU A 128 4.596 7.923 29.450 1.00 11.35 H new ATOM 0 HB2 GLU A 128 4.998 10.918 29.088 1.00 23.11 H new ATOM 0 HB3 GLU A 128 5.003 10.110 30.643 1.00 23.11 H new ATOM 0 HG2 GLU A 128 6.866 9.157 28.475 1.00 35.12 H new ATOM 0 HG3 GLU A 128 7.260 10.609 29.374 1.00 35.12 H new ATOM 2117 N ARG A 129 2.264 10.150 28.723 1.00 3.41 N ATOM 2118 CA ARG A 129 0.881 10.528 28.988 1.00 3.12 C ATOM 2119 C ARG A 129 -0.049 9.329 28.833 1.00 31.43 C ATOM 2120 O ARG A 129 -0.964 9.133 29.633 1.00 73.12 O ATOM 2121 CB ARG A 129 0.446 11.650 28.043 1.00 25.23 C ATOM 2122 CG ARG A 129 1.259 12.925 28.197 1.00 64.11 C ATOM 2123 CD ARG A 129 0.685 13.825 29.280 1.00 71.22 C ATOM 2124 NE ARG A 129 -0.418 14.644 28.783 1.00 22.51 N ATOM 2125 CZ ARG A 129 -1.140 15.449 29.554 1.00 75.33 C ATOM 2126 NH1 ARG A 129 -0.878 15.543 30.850 1.00 61.11 N ATOM 2127 NH2 ARG A 129 -2.128 16.162 29.028 1.00 40.21 N ATOM 0 H ARG A 129 2.717 10.694 27.988 1.00 3.41 H new ATOM 0 HA ARG A 129 0.819 10.884 30.016 1.00 3.12 H new ATOM 0 HB2 ARG A 129 0.527 11.299 27.014 1.00 25.23 H new ATOM 0 HB3 ARG A 129 -0.605 11.876 28.220 1.00 25.23 H new ATOM 0 HG2 ARG A 129 2.291 12.672 28.441 1.00 64.11 H new ATOM 0 HG3 ARG A 129 1.278 13.462 27.249 1.00 64.11 H new ATOM 0 HD2 ARG A 129 0.336 13.214 30.112 1.00 71.22 H new ATOM 0 HD3 ARG A 129 1.471 14.473 29.668 1.00 71.22 H new ATOM 0 HE ARG A 129 -0.646 14.595 27.790 1.00 22.51 H new ATOM 0 HH11 ARG A 129 -0.120 14.996 31.258 1.00 61.11 H new ATOM 0 HH12 ARG A 129 -1.435 16.162 31.439 1.00 61.11 H new ATOM 0 HH21 ARG A 129 -2.333 16.092 28.031 1.00 40.21 H new ATOM 0 HH22 ARG A 129 -2.682 16.780 29.620 1.00 40.21 H new ATOM 2141 N SER A 130 0.192 8.529 27.799 1.00 54.21 N ATOM 2142 CA SER A 130 -0.627 7.351 27.536 1.00 11.53 C ATOM 2143 C SER A 130 -0.732 6.474 28.780 1.00 1.43 C ATOM 2144 O SER A 130 -1.800 5.947 29.094 1.00 0.24 O ATOM 2145 CB SER A 130 -0.040 6.544 26.377 1.00 4.02 C ATOM 2146 OG SER A 130 0.937 5.627 26.838 1.00 21.42 O ATOM 0 H SER A 130 0.948 8.675 27.130 1.00 54.21 H new ATOM 0 HA SER A 130 -1.628 7.688 27.264 1.00 11.53 H new ATOM 0 HB2 SER A 130 -0.837 6.005 25.865 1.00 4.02 H new ATOM 0 HB3 SER A 130 0.407 7.220 25.648 1.00 4.02 H new ATOM 0 HG SER A 130 1.817 6.058 26.834 1.00 21.42 H new ATOM 2152 N LEU A 131 0.384 6.322 29.485 1.00 51.52 N ATOM 2153 CA LEU A 131 0.420 5.509 30.696 1.00 54.45 C ATOM 2154 C LEU A 131 -0.161 6.273 31.882 1.00 70.15 C ATOM 2155 O LEU A 131 -0.920 5.720 32.677 1.00 54.04 O ATOM 2156 CB LEU A 131 1.855 5.081 31.004 1.00 63.13 C ATOM 2157 CG LEU A 131 2.728 4.739 29.795 1.00 12.23 C ATOM 2158 CD1 LEU A 131 4.082 4.214 30.246 1.00 31.01 C ATOM 2159 CD2 LEU A 131 2.029 3.723 28.904 1.00 64.24 C ATOM 0 H LEU A 131 1.276 6.751 29.239 1.00 51.52 H new ATOM 0 HA LEU A 131 -0.189 4.621 30.526 1.00 54.45 H new ATOM 0 HB2 LEU A 131 2.340 5.882 31.562 1.00 63.13 H new ATOM 0 HB3 LEU A 131 1.821 4.211 31.660 1.00 63.13 H new ATOM 0 HG LEU A 131 2.889 5.649 29.217 1.00 12.23 H new ATOM 0 HD11 LEU A 131 4.689 3.976 29.373 1.00 31.01 H new ATOM 0 HD12 LEU A 131 4.587 4.974 30.843 1.00 31.01 H new ATOM 0 HD13 LEU A 131 3.942 3.315 30.846 1.00 31.01 H new ATOM 0 HD21 LEU A 131 2.664 3.491 28.049 1.00 64.24 H new ATOM 0 HD22 LEU A 131 1.838 2.812 29.471 1.00 64.24 H new ATOM 0 HD23 LEU A 131 1.084 4.137 28.552 1.00 64.24 H new