USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1135 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 126 SER OG : rot -1:sc= 1.57 USER MOD Set 1.2: A 128 SER OG : rot -80:sc= 0.615 USER MOD Set 2.1: A 96 TYR OH : rot 150:sc= 0.617 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -178:sc= 0.676 (180deg=0) USER MOD Set 3.1: A 74 GLN : amide:sc= 1.32 K(o=1.3,f=-3.1) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -136:sc= 0.554 (180deg=-0.653) USER MOD Set 3.3: A 104 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0785 (180deg=-0.482) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0187 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 30:sc= -0.353 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00329 K(o=-0.0033,f=-0.9) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0.295 (180deg=0.294) USER MOD Single : A 25 HIS : no HD1:sc= 0.4 K(o=0.4,f=-3.5!) USER MOD Single : A 28 ASN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= 0.559 (180deg=0.295) USER MOD Single : A 31 THR OG1 : rot 28:sc= 0.137 USER MOD Single : A 34 THR OG1 : rot -135:sc= 0.781 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -126:sc= 0.664 (180deg=-0.0469) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.036) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= 0.465 (180deg=-0.342) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0.733 (180deg=0.73) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.589 K(o=-0.59,f=-3.8!) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0.0172 (180deg=-0.174) USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= 0.833 (180deg=0.625) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -140:sc=0.000473 (180deg=-0.124) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.138 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 109 SER OG : rot -30:sc= -0.285 USER MOD Single : A 111 ASN : amide:sc= -0.413 K(o=-0.41,f=-5.3!) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= 0.187 (180deg=0.113) USER MOD Single : A 117 LYS NZ :NH3+ 157:sc= 0.653 (180deg=0.391) USER MOD Single : A 118 LYS NZ :NH3+ 154:sc= 0.149 (180deg=0.018) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -169:sc= 0.0811 (180deg=0.0352) USER MOD Single : A 131 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=-0.11) USER MOD Single : A 132 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.2) USER MOD Single : A 133 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-0.77) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 136 HIS : no HE2:sc= 0.00164 X(o=0.0016,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.315 -2.913 16.789 1.00 4.44 N ATOM 2 CA MET A 1 4.870 -1.719 16.112 1.00 4.12 C ATOM 3 C MET A 1 5.265 -2.078 14.665 1.00 20.31 C ATOM 4 O MET A 1 5.793 -3.172 14.416 1.00 3.40 O ATOM 5 CB MET A 1 6.081 -1.158 16.916 1.00 14.21 C ATOM 6 CG MET A 1 6.716 0.122 16.333 1.00 11.01 C ATOM 7 SD MET A 1 7.981 0.843 17.407 1.00 60.13 S ATOM 8 CE MET A 1 7.014 1.351 18.834 1.00 53.14 C ATOM 0 H1 MET A 1 4.618 -2.920 17.784 1.00 4.44 H new ATOM 0 H2 MET A 1 3.276 -2.886 16.743 1.00 4.44 H new ATOM 0 H3 MET A 1 4.660 -3.772 16.316 1.00 4.44 H new ATOM 0 HA MET A 1 4.112 -0.937 16.072 1.00 4.12 H new ATOM 0 HB2 MET A 1 5.756 -0.952 17.936 1.00 14.21 H new ATOM 0 HB3 MET A 1 6.847 -1.931 16.975 1.00 14.21 H new ATOM 0 HG2 MET A 1 7.159 -0.109 15.364 1.00 11.01 H new ATOM 0 HG3 MET A 1 5.934 0.860 16.157 1.00 11.01 H new ATOM 0 HE1 MET A 1 7.573 2.090 19.408 1.00 53.14 H new ATOM 0 HE2 MET A 1 6.073 1.787 18.499 1.00 53.14 H new ATOM 0 HE3 MET A 1 6.809 0.484 19.462 1.00 53.14 H new ATOM 20 N GLY A 2 5.002 -1.147 13.730 1.00 32.14 N ATOM 21 CA GLY A 2 5.169 -1.371 12.287 1.00 74.24 C ATOM 22 C GLY A 2 3.902 -0.965 11.540 1.00 24.25 C ATOM 23 O GLY A 2 2.812 -0.975 12.128 1.00 63.41 O ATOM 0 H GLY A 2 4.665 -0.212 13.959 1.00 32.14 H new ATOM 0 HA2 GLY A 2 6.018 -0.795 11.918 1.00 74.24 H new ATOM 0 HA3 GLY A 2 5.390 -2.421 12.098 1.00 74.24 H new ATOM 27 N VAL A 3 4.036 -0.592 10.255 1.00 30.15 N ATOM 28 CA VAL A 3 2.921 -0.062 9.424 1.00 42.31 C ATOM 29 C VAL A 3 3.054 -0.591 7.984 1.00 33.23 C ATOM 30 O VAL A 3 4.149 -0.583 7.422 1.00 21.51 O ATOM 31 CB VAL A 3 2.922 1.522 9.445 1.00 50.51 C ATOM 32 CG1 VAL A 3 1.983 2.140 8.385 1.00 13.30 C ATOM 33 CG2 VAL A 3 2.564 2.068 10.854 1.00 64.15 C ATOM 0 H VAL A 3 4.923 -0.647 9.754 1.00 30.15 H new ATOM 0 HA VAL A 3 1.972 -0.403 9.837 1.00 42.31 H new ATOM 0 HB VAL A 3 3.939 1.823 9.193 1.00 50.51 H new ATOM 0 HG11 VAL A 3 2.027 3.227 8.449 1.00 13.30 H new ATOM 0 HG12 VAL A 3 2.297 1.822 7.391 1.00 13.30 H new ATOM 0 HG13 VAL A 3 0.961 1.807 8.566 1.00 13.30 H new ATOM 0 HG21 VAL A 3 2.573 3.158 10.835 1.00 64.15 H new ATOM 0 HG22 VAL A 3 1.571 1.718 11.138 1.00 64.15 H new ATOM 0 HG23 VAL A 3 3.296 1.712 11.579 1.00 64.15 H new ATOM 43 N VAL A 4 1.935 -1.053 7.390 1.00 63.44 N ATOM 44 CA VAL A 4 1.925 -1.639 6.030 1.00 13.41 C ATOM 45 C VAL A 4 1.055 -0.778 5.091 1.00 0.04 C ATOM 46 O VAL A 4 -0.160 -0.684 5.278 1.00 32.13 O ATOM 47 CB VAL A 4 1.392 -3.122 6.048 1.00 12.12 C ATOM 48 CG1 VAL A 4 1.555 -3.791 4.667 1.00 53.04 C ATOM 49 CG2 VAL A 4 2.087 -3.958 7.146 1.00 31.14 C ATOM 0 H VAL A 4 1.017 -1.032 7.834 1.00 63.44 H new ATOM 0 HA VAL A 4 2.951 -1.654 5.662 1.00 13.41 H new ATOM 0 HB VAL A 4 0.328 -3.082 6.281 1.00 12.12 H new ATOM 0 HG11 VAL A 4 1.179 -4.813 4.711 1.00 53.04 H new ATOM 0 HG12 VAL A 4 0.992 -3.229 3.922 1.00 53.04 H new ATOM 0 HG13 VAL A 4 2.609 -3.804 4.391 1.00 53.04 H new ATOM 0 HG21 VAL A 4 1.696 -4.975 7.131 1.00 31.14 H new ATOM 0 HG22 VAL A 4 3.161 -3.979 6.962 1.00 31.14 H new ATOM 0 HG23 VAL A 4 1.895 -3.510 8.121 1.00 31.14 H new ATOM 59 N ILE A 5 1.692 -0.144 4.092 1.00 43.42 N ATOM 60 CA ILE A 5 1.014 0.713 3.105 1.00 62.40 C ATOM 61 C ILE A 5 0.878 -0.059 1.774 1.00 62.22 C ATOM 62 O ILE A 5 1.866 -0.296 1.087 1.00 4.23 O ATOM 63 CB ILE A 5 1.786 2.070 2.840 1.00 42.21 C ATOM 64 CG1 ILE A 5 2.140 2.839 4.169 1.00 44.20 C ATOM 65 CG2 ILE A 5 0.963 2.971 1.879 1.00 13.14 C ATOM 66 CD1 ILE A 5 3.379 2.343 4.911 1.00 30.43 C ATOM 0 H ILE A 5 2.699 -0.212 3.946 1.00 43.42 H new ATOM 0 HA ILE A 5 0.036 0.969 3.513 1.00 62.40 H new ATOM 0 HB ILE A 5 2.736 1.817 2.370 1.00 42.21 H new ATOM 0 HG12 ILE A 5 2.280 3.893 3.931 1.00 44.20 H new ATOM 0 HG13 ILE A 5 1.286 2.775 4.843 1.00 44.20 H new ATOM 0 HG21 ILE A 5 1.502 3.902 1.703 1.00 13.14 H new ATOM 0 HG22 ILE A 5 0.815 2.452 0.932 1.00 13.14 H new ATOM 0 HG23 ILE A 5 -0.006 3.192 2.327 1.00 13.14 H new ATOM 0 HD11 ILE A 5 3.529 2.942 5.809 1.00 30.43 H new ATOM 0 HD12 ILE A 5 3.242 1.298 5.190 1.00 30.43 H new ATOM 0 HD13 ILE A 5 4.251 2.434 4.264 1.00 30.43 H new ATOM 78 N LEU A 6 -0.349 -0.449 1.427 1.00 2.22 N ATOM 79 CA LEU A 6 -0.661 -1.181 0.193 1.00 54.24 C ATOM 80 C LEU A 6 -1.164 -0.203 -0.866 1.00 60.14 C ATOM 81 O LEU A 6 -2.298 0.269 -0.786 1.00 70.22 O ATOM 82 CB LEU A 6 -1.752 -2.238 0.488 1.00 2.30 C ATOM 83 CG LEU A 6 -1.505 -3.108 1.742 1.00 23.32 C ATOM 84 CD1 LEU A 6 -2.696 -4.016 2.029 1.00 74.10 C ATOM 85 CD2 LEU A 6 -0.205 -3.903 1.610 1.00 21.32 C ATOM 0 H LEU A 6 -1.170 -0.263 2.003 1.00 2.22 H new ATOM 0 HA LEU A 6 0.236 -1.679 -0.175 1.00 54.24 H new ATOM 0 HB2 LEU A 6 -2.708 -1.727 0.602 1.00 2.30 H new ATOM 0 HB3 LEU A 6 -1.843 -2.894 -0.378 1.00 2.30 H new ATOM 0 HG LEU A 6 -1.395 -2.441 2.597 1.00 23.32 H new ATOM 0 HD11 LEU A 6 -2.491 -4.615 2.916 1.00 74.10 H new ATOM 0 HD12 LEU A 6 -3.585 -3.408 2.198 1.00 74.10 H new ATOM 0 HD13 LEU A 6 -2.864 -4.675 1.177 1.00 74.10 H new ATOM 0 HD21 LEU A 6 -0.055 -4.506 2.505 1.00 21.32 H new ATOM 0 HD22 LEU A 6 -0.264 -4.555 0.739 1.00 21.32 H new ATOM 0 HD23 LEU A 6 0.632 -3.215 1.492 1.00 21.32 H new ATOM 97 N VAL A 7 -0.320 0.120 -1.841 1.00 1.54 N ATOM 98 CA VAL A 7 -0.687 1.019 -2.930 1.00 21.24 C ATOM 99 C VAL A 7 -1.182 0.194 -4.137 1.00 72.43 C ATOM 100 O VAL A 7 -0.379 -0.440 -4.828 1.00 61.21 O ATOM 101 CB VAL A 7 0.523 1.936 -3.338 1.00 31.42 C ATOM 102 CG1 VAL A 7 0.091 2.983 -4.385 1.00 21.20 C ATOM 103 CG2 VAL A 7 1.145 2.617 -2.097 1.00 20.20 C ATOM 0 H VAL A 7 0.635 -0.233 -1.899 1.00 1.54 H new ATOM 0 HA VAL A 7 -1.492 1.671 -2.591 1.00 21.24 H new ATOM 0 HB VAL A 7 1.287 1.304 -3.790 1.00 31.42 H new ATOM 0 HG11 VAL A 7 0.945 3.605 -4.651 1.00 21.20 H new ATOM 0 HG12 VAL A 7 -0.280 2.475 -5.276 1.00 21.20 H new ATOM 0 HG13 VAL A 7 -0.698 3.609 -3.969 1.00 21.20 H new ATOM 0 HG21 VAL A 7 1.980 3.246 -2.407 1.00 20.20 H new ATOM 0 HG22 VAL A 7 0.392 3.231 -1.603 1.00 20.20 H new ATOM 0 HG23 VAL A 7 1.502 1.855 -1.405 1.00 20.20 H new ATOM 113 N LEU A 8 -2.506 0.196 -4.361 1.00 73.35 N ATOM 114 CA LEU A 8 -3.143 -0.466 -5.511 1.00 22.34 C ATOM 115 C LEU A 8 -3.176 0.530 -6.675 1.00 14.45 C ATOM 116 O LEU A 8 -3.912 1.503 -6.633 1.00 3.44 O ATOM 117 CB LEU A 8 -4.593 -0.944 -5.168 1.00 10.04 C ATOM 118 CG LEU A 8 -4.731 -2.186 -4.215 1.00 61.15 C ATOM 119 CD1 LEU A 8 -4.190 -1.915 -2.797 1.00 35.42 C ATOM 120 CD2 LEU A 8 -6.192 -2.681 -4.167 1.00 23.53 C ATOM 0 H LEU A 8 -3.171 0.662 -3.743 1.00 73.35 H new ATOM 0 HA LEU A 8 -2.568 -1.352 -5.780 1.00 22.34 H new ATOM 0 HB2 LEU A 8 -5.126 -0.109 -4.714 1.00 10.04 H new ATOM 0 HB3 LEU A 8 -5.102 -1.177 -6.103 1.00 10.04 H new ATOM 0 HG LEU A 8 -4.109 -2.976 -4.637 1.00 61.15 H new ATOM 0 HD11 LEU A 8 -4.312 -2.808 -2.184 1.00 35.42 H new ATOM 0 HD12 LEU A 8 -3.133 -1.656 -2.854 1.00 35.42 H new ATOM 0 HD13 LEU A 8 -4.742 -1.089 -2.349 1.00 35.42 H new ATOM 0 HD21 LEU A 8 -6.263 -3.541 -3.501 1.00 23.53 H new ATOM 0 HD22 LEU A 8 -6.835 -1.882 -3.798 1.00 23.53 H new ATOM 0 HD23 LEU A 8 -6.511 -2.970 -5.168 1.00 23.53 H new ATOM 132 N THR A 9 -2.377 0.287 -7.708 1.00 71.22 N ATOM 133 CA THR A 9 -2.219 1.206 -8.835 1.00 74.45 C ATOM 134 C THR A 9 -2.921 0.638 -10.067 1.00 60.03 C ATOM 135 O THR A 9 -2.769 -0.539 -10.383 1.00 62.13 O ATOM 136 CB THR A 9 -0.703 1.417 -9.154 1.00 45.24 C ATOM 137 OG1 THR A 9 -0.060 0.140 -9.343 1.00 52.32 O ATOM 138 CG2 THR A 9 0.023 2.183 -8.043 1.00 72.41 C ATOM 0 H THR A 9 -1.815 -0.560 -7.790 1.00 71.22 H new ATOM 0 HA THR A 9 -2.664 2.165 -8.569 1.00 74.45 H new ATOM 0 HB THR A 9 -0.646 2.012 -10.066 1.00 45.24 H new ATOM 0 HG1 THR A 9 -0.708 -0.503 -9.700 1.00 52.32 H new ATOM 0 HG21 THR A 9 1.073 2.304 -8.311 1.00 72.41 H new ATOM 0 HG22 THR A 9 -0.435 3.164 -7.918 1.00 72.41 H new ATOM 0 HG23 THR A 9 -0.051 1.626 -7.109 1.00 72.41 H new ATOM 146 N GLY A 10 -3.646 1.506 -10.788 1.00 73.53 N ATOM 147 CA GLY A 10 -4.337 1.129 -12.027 1.00 63.42 C ATOM 148 C GLY A 10 -3.372 0.826 -13.173 1.00 52.34 C ATOM 149 O GLY A 10 -3.784 0.346 -14.232 1.00 42.14 O ATOM 0 H GLY A 10 -3.769 2.485 -10.529 1.00 73.53 H new ATOM 0 HA2 GLY A 10 -4.958 0.253 -11.839 1.00 63.42 H new ATOM 0 HA3 GLY A 10 -5.006 1.936 -12.325 1.00 63.42 H new ATOM 153 N ASP A 11 -2.086 1.131 -12.937 1.00 54.32 N ATOM 154 CA ASP A 11 -0.977 0.838 -13.842 1.00 11.42 C ATOM 155 C ASP A 11 0.284 0.587 -12.996 1.00 34.52 C ATOM 156 O ASP A 11 0.665 1.432 -12.182 1.00 33.04 O ATOM 157 CB ASP A 11 -0.777 2.014 -14.836 1.00 41.10 C ATOM 158 CG ASP A 11 0.452 1.900 -15.754 1.00 13.12 C ATOM 159 OD1 ASP A 11 0.870 0.771 -16.106 1.00 42.01 O ATOM 160 OD2 ASP A 11 0.986 2.951 -16.162 1.00 11.02 O ATOM 0 H ASP A 11 -1.786 1.603 -12.084 1.00 54.32 H new ATOM 0 HA ASP A 11 -1.189 -0.052 -14.434 1.00 11.42 H new ATOM 0 HB2 ASP A 11 -1.668 2.097 -15.458 1.00 41.10 H new ATOM 0 HB3 ASP A 11 -0.699 2.940 -14.266 1.00 41.10 H new ATOM 165 N GLU A 12 0.911 -0.584 -13.199 1.00 34.00 N ATOM 166 CA GLU A 12 2.090 -1.040 -12.426 1.00 75.52 C ATOM 167 C GLU A 12 3.318 -0.127 -12.650 1.00 63.02 C ATOM 168 O GLU A 12 4.211 -0.048 -11.792 1.00 14.50 O ATOM 169 CB GLU A 12 2.418 -2.504 -12.796 1.00 50.14 C ATOM 170 CG GLU A 12 3.514 -3.167 -11.933 1.00 20.21 C ATOM 171 CD GLU A 12 3.753 -4.630 -12.315 1.00 61.21 C ATOM 172 OE1 GLU A 12 4.593 -4.900 -13.199 1.00 35.10 O ATOM 173 OE2 GLU A 12 3.083 -5.512 -11.755 1.00 50.45 O ATOM 0 H GLU A 12 0.614 -1.251 -13.911 1.00 34.00 H new ATOM 0 HA GLU A 12 1.844 -0.982 -11.366 1.00 75.52 H new ATOM 0 HB2 GLU A 12 1.506 -3.096 -12.716 1.00 50.14 H new ATOM 0 HB3 GLU A 12 2.729 -2.538 -13.840 1.00 50.14 H new ATOM 0 HG2 GLU A 12 4.444 -2.610 -12.041 1.00 20.21 H new ATOM 0 HG3 GLU A 12 3.229 -3.111 -10.882 1.00 20.21 H new ATOM 180 N ARG A 13 3.362 0.545 -13.821 1.00 32.13 N ATOM 181 CA ARG A 13 4.386 1.561 -14.133 1.00 74.02 C ATOM 182 C ARG A 13 4.357 2.683 -13.068 1.00 13.23 C ATOM 183 O ARG A 13 5.408 3.106 -12.577 1.00 61.51 O ATOM 184 CB ARG A 13 4.162 2.099 -15.579 1.00 74.20 C ATOM 185 CG ARG A 13 5.106 3.240 -16.063 1.00 31.33 C ATOM 186 CD ARG A 13 4.573 4.660 -15.766 1.00 61.52 C ATOM 187 NE ARG A 13 3.261 4.894 -16.392 1.00 34.34 N ATOM 188 CZ ARG A 13 2.468 5.956 -16.174 1.00 62.12 C ATOM 189 NH1 ARG A 13 2.811 6.917 -15.324 1.00 72.13 N ATOM 190 NH2 ARG A 13 1.313 6.040 -16.806 1.00 13.24 N ATOM 0 H ARG A 13 2.690 0.398 -14.574 1.00 32.13 H new ATOM 0 HA ARG A 13 5.381 1.117 -14.101 1.00 74.02 H new ATOM 0 HB2 ARG A 13 4.260 1.262 -16.271 1.00 74.20 H new ATOM 0 HB3 ARG A 13 3.134 2.455 -15.653 1.00 74.20 H new ATOM 0 HG2 ARG A 13 6.079 3.120 -15.586 1.00 31.33 H new ATOM 0 HG3 ARG A 13 5.262 3.138 -17.137 1.00 31.33 H new ATOM 0 HD2 ARG A 13 4.491 4.799 -14.688 1.00 61.52 H new ATOM 0 HD3 ARG A 13 5.286 5.399 -16.130 1.00 61.52 H new ATOM 0 HE ARG A 13 2.925 4.189 -17.048 1.00 34.34 H new ATOM 0 HH11 ARG A 13 3.695 6.859 -14.818 1.00 72.13 H new ATOM 0 HH12 ARG A 13 2.190 7.713 -15.177 1.00 72.13 H new ATOM 0 HH21 ARG A 13 1.030 5.303 -17.452 1.00 13.24 H new ATOM 0 HH22 ARG A 13 0.703 6.842 -16.648 1.00 13.24 H new ATOM 204 N ILE A 14 3.134 3.115 -12.694 1.00 4.42 N ATOM 205 CA ILE A 14 2.918 4.132 -11.641 1.00 23.02 C ATOM 206 C ILE A 14 3.467 3.631 -10.287 1.00 63.22 C ATOM 207 O ILE A 14 4.086 4.398 -9.554 1.00 64.33 O ATOM 208 CB ILE A 14 1.392 4.519 -11.508 1.00 21.13 C ATOM 209 CG1 ILE A 14 0.848 5.079 -12.863 1.00 24.44 C ATOM 210 CG2 ILE A 14 1.151 5.522 -10.349 1.00 45.13 C ATOM 211 CD1 ILE A 14 -0.627 5.462 -12.856 1.00 43.35 C ATOM 0 H ILE A 14 2.270 2.770 -13.112 1.00 4.42 H new ATOM 0 HA ILE A 14 3.462 5.030 -11.933 1.00 23.02 H new ATOM 0 HB ILE A 14 0.839 3.612 -11.265 1.00 21.13 H new ATOM 0 HG12 ILE A 14 1.434 5.956 -13.138 1.00 24.44 H new ATOM 0 HG13 ILE A 14 1.010 4.331 -13.639 1.00 24.44 H new ATOM 0 HG21 ILE A 14 0.089 5.763 -10.291 1.00 45.13 H new ATOM 0 HG22 ILE A 14 1.474 5.076 -9.408 1.00 45.13 H new ATOM 0 HG23 ILE A 14 1.720 6.433 -10.532 1.00 45.13 H new ATOM 0 HD11 ILE A 14 -0.910 5.839 -13.839 1.00 43.35 H new ATOM 0 HD12 ILE A 14 -1.229 4.586 -12.616 1.00 43.35 H new ATOM 0 HD13 ILE A 14 -0.798 6.236 -12.108 1.00 43.35 H new ATOM 223 N ALA A 15 3.274 2.324 -9.998 1.00 1.13 N ATOM 224 CA ALA A 15 3.730 1.693 -8.739 1.00 50.33 C ATOM 225 C ALA A 15 5.261 1.821 -8.544 1.00 2.22 C ATOM 226 O ALA A 15 5.730 2.032 -7.419 1.00 53.41 O ATOM 227 CB ALA A 15 3.297 0.218 -8.691 1.00 3.54 C ATOM 0 H ALA A 15 2.799 1.679 -10.629 1.00 1.13 H new ATOM 0 HA ALA A 15 3.256 2.227 -7.916 1.00 50.33 H new ATOM 0 HB1 ALA A 15 3.640 -0.232 -7.759 1.00 3.54 H new ATOM 0 HB2 ALA A 15 2.210 0.156 -8.746 1.00 3.54 H new ATOM 0 HB3 ALA A 15 3.734 -0.317 -9.534 1.00 3.54 H new ATOM 233 N GLU A 16 6.027 1.706 -9.652 1.00 25.20 N ATOM 234 CA GLU A 16 7.497 1.870 -9.627 1.00 4.12 C ATOM 235 C GLU A 16 7.872 3.352 -9.382 1.00 72.53 C ATOM 236 O GLU A 16 8.840 3.652 -8.665 1.00 42.35 O ATOM 237 CB GLU A 16 8.146 1.368 -10.944 1.00 0.42 C ATOM 238 CG GLU A 16 9.689 1.434 -10.933 1.00 33.52 C ATOM 239 CD GLU A 16 10.350 0.975 -12.238 1.00 64.54 C ATOM 240 OE1 GLU A 16 10.351 -0.245 -12.519 1.00 1.35 O ATOM 241 OE2 GLU A 16 10.879 1.825 -12.993 1.00 62.15 O ATOM 0 H GLU A 16 5.650 1.500 -10.577 1.00 25.20 H new ATOM 0 HA GLU A 16 7.883 1.264 -8.807 1.00 4.12 H new ATOM 0 HB2 GLU A 16 7.835 0.339 -11.124 1.00 0.42 H new ATOM 0 HB3 GLU A 16 7.770 1.964 -11.775 1.00 0.42 H new ATOM 0 HG2 GLU A 16 9.996 2.459 -10.725 1.00 33.52 H new ATOM 0 HG3 GLU A 16 10.061 0.818 -10.115 1.00 33.52 H new ATOM 248 N GLU A 17 7.076 4.266 -9.980 1.00 24.43 N ATOM 249 CA GLU A 17 7.272 5.727 -9.840 1.00 24.01 C ATOM 250 C GLU A 17 7.056 6.174 -8.388 1.00 1.33 C ATOM 251 O GLU A 17 7.665 7.132 -7.927 1.00 21.15 O ATOM 252 CB GLU A 17 6.311 6.508 -10.762 1.00 15.34 C ATOM 253 CG GLU A 17 6.440 6.176 -12.252 1.00 43.31 C ATOM 254 CD GLU A 17 5.517 7.031 -13.129 1.00 40.14 C ATOM 255 OE1 GLU A 17 4.292 6.988 -12.918 1.00 22.43 O ATOM 256 OE2 GLU A 17 6.010 7.739 -14.033 1.00 13.11 O ATOM 0 H GLU A 17 6.283 4.014 -10.570 1.00 24.43 H new ATOM 0 HA GLU A 17 8.299 5.944 -10.132 1.00 24.01 H new ATOM 0 HB2 GLU A 17 5.286 6.310 -10.447 1.00 15.34 H new ATOM 0 HB3 GLU A 17 6.486 7.575 -10.625 1.00 15.34 H new ATOM 0 HG2 GLU A 17 7.473 6.325 -12.565 1.00 43.31 H new ATOM 0 HG3 GLU A 17 6.209 5.122 -12.407 1.00 43.31 H new ATOM 263 N LEU A 18 6.152 5.483 -7.699 1.00 63.30 N ATOM 264 CA LEU A 18 5.853 5.725 -6.286 1.00 40.02 C ATOM 265 C LEU A 18 6.923 5.098 -5.374 1.00 70.41 C ATOM 266 O LEU A 18 7.206 5.623 -4.293 1.00 10.45 O ATOM 267 CB LEU A 18 4.446 5.174 -5.976 1.00 64.20 C ATOM 268 CG LEU A 18 3.300 5.796 -6.827 1.00 11.45 C ATOM 269 CD1 LEU A 18 1.952 5.148 -6.510 1.00 53.41 C ATOM 270 CD2 LEU A 18 3.252 7.334 -6.673 1.00 43.03 C ATOM 0 H LEU A 18 5.599 4.730 -8.109 1.00 63.30 H new ATOM 0 HA LEU A 18 5.868 6.797 -6.088 1.00 40.02 H new ATOM 0 HB2 LEU A 18 4.451 4.095 -6.132 1.00 64.20 H new ATOM 0 HB3 LEU A 18 4.229 5.343 -4.921 1.00 64.20 H new ATOM 0 HG LEU A 18 3.517 5.586 -7.874 1.00 11.45 H new ATOM 0 HD11 LEU A 18 1.175 5.606 -7.122 1.00 53.41 H new ATOM 0 HD12 LEU A 18 2.002 4.081 -6.726 1.00 53.41 H new ATOM 0 HD13 LEU A 18 1.717 5.294 -5.456 1.00 53.41 H new ATOM 0 HD21 LEU A 18 2.441 7.735 -7.280 1.00 43.03 H new ATOM 0 HD22 LEU A 18 3.083 7.590 -5.627 1.00 43.03 H new ATOM 0 HD23 LEU A 18 4.198 7.762 -7.003 1.00 43.03 H new ATOM 282 N ARG A 19 7.515 3.976 -5.832 1.00 24.00 N ATOM 283 CA ARG A 19 8.536 3.224 -5.068 1.00 2.13 C ATOM 284 C ARG A 19 9.787 4.072 -4.823 1.00 30.31 C ATOM 285 O ARG A 19 10.276 4.168 -3.695 1.00 21.10 O ATOM 286 CB ARG A 19 8.911 1.919 -5.815 1.00 44.35 C ATOM 287 CG ARG A 19 9.858 0.999 -5.022 1.00 74.00 C ATOM 288 CD ARG A 19 10.232 -0.284 -5.774 1.00 3.03 C ATOM 289 NE ARG A 19 11.092 -0.012 -6.936 1.00 23.25 N ATOM 290 CZ ARG A 19 11.007 -0.613 -8.130 1.00 52.10 C ATOM 291 NH1 ARG A 19 10.078 -1.538 -8.372 1.00 61.43 N ATOM 292 NH2 ARG A 19 11.865 -0.282 -9.079 1.00 40.34 N ATOM 0 H ARG A 19 7.300 3.565 -6.740 1.00 24.00 H new ATOM 0 HA ARG A 19 8.109 2.970 -4.098 1.00 2.13 H new ATOM 0 HB2 ARG A 19 7.999 1.371 -6.049 1.00 44.35 H new ATOM 0 HB3 ARG A 19 9.381 2.177 -6.764 1.00 44.35 H new ATOM 0 HG2 ARG A 19 10.768 1.548 -4.781 1.00 74.00 H new ATOM 0 HG3 ARG A 19 9.386 0.733 -4.076 1.00 74.00 H new ATOM 0 HD2 ARG A 19 10.745 -0.965 -5.095 1.00 3.03 H new ATOM 0 HD3 ARG A 19 9.324 -0.788 -6.105 1.00 3.03 H new ATOM 0 HE ARG A 19 11.817 0.697 -6.822 1.00 23.25 H new ATOM 0 HH11 ARG A 19 9.416 -1.799 -7.641 1.00 61.43 H new ATOM 0 HH12 ARG A 19 10.029 -1.984 -9.288 1.00 61.43 H new ATOM 0 HH21 ARG A 19 12.580 0.423 -8.897 1.00 40.34 H new ATOM 0 HH22 ARG A 19 11.813 -0.731 -9.993 1.00 40.34 H new ATOM 306 N LYS A 20 10.271 4.699 -5.907 1.00 41.43 N ATOM 307 CA LYS A 20 11.478 5.538 -5.894 1.00 62.13 C ATOM 308 C LYS A 20 11.302 6.757 -4.950 1.00 34.13 C ATOM 309 O LYS A 20 12.279 7.245 -4.380 1.00 1.24 O ATOM 310 CB LYS A 20 11.828 5.966 -7.348 1.00 4.24 C ATOM 311 CG LYS A 20 10.786 6.902 -8.002 1.00 62.32 C ATOM 312 CD LYS A 20 10.774 6.859 -9.547 1.00 34.31 C ATOM 313 CE LYS A 20 12.092 7.282 -10.206 1.00 65.45 C ATOM 314 NZ LYS A 20 11.970 7.310 -11.691 1.00 53.54 N ATOM 0 H LYS A 20 9.831 4.637 -6.825 1.00 41.43 H new ATOM 0 HA LYS A 20 12.314 4.961 -5.499 1.00 62.13 H new ATOM 0 HB2 LYS A 20 12.797 6.466 -7.344 1.00 4.24 H new ATOM 0 HB3 LYS A 20 11.933 5.072 -7.963 1.00 4.24 H new ATOM 0 HG2 LYS A 20 9.795 6.636 -7.635 1.00 62.32 H new ATOM 0 HG3 LYS A 20 10.981 7.925 -7.680 1.00 62.32 H new ATOM 0 HD2 LYS A 20 10.531 5.846 -9.868 1.00 34.31 H new ATOM 0 HD3 LYS A 20 9.977 7.508 -9.910 1.00 34.31 H new ATOM 0 HE2 LYS A 20 12.382 8.268 -9.844 1.00 65.45 H new ATOM 0 HE3 LYS A 20 12.884 6.591 -9.917 1.00 65.45 H new ATOM 0 HZ1 LYS A 20 12.877 7.600 -12.108 1.00 53.54 H new ATOM 0 HZ2 LYS A 20 11.717 6.362 -12.036 1.00 53.54 H new ATOM 0 HZ3 LYS A 20 11.231 7.988 -11.966 1.00 53.54 H new ATOM 328 N GLU A 21 10.036 7.222 -4.791 1.00 41.32 N ATOM 329 CA GLU A 21 9.684 8.324 -3.868 1.00 35.22 C ATOM 330 C GLU A 21 9.902 7.911 -2.409 1.00 72.32 C ATOM 331 O GLU A 21 10.436 8.689 -1.614 1.00 15.44 O ATOM 332 CB GLU A 21 8.216 8.778 -4.069 1.00 0.32 C ATOM 333 CG GLU A 21 7.885 9.203 -5.503 1.00 3.44 C ATOM 334 CD GLU A 21 8.869 10.239 -6.096 1.00 31.33 C ATOM 335 OE1 GLU A 21 8.837 11.424 -5.686 1.00 63.32 O ATOM 336 OE2 GLU A 21 9.688 9.874 -6.963 1.00 34.34 O ATOM 0 H GLU A 21 9.236 6.843 -5.298 1.00 41.32 H new ATOM 0 HA GLU A 21 10.342 9.161 -4.099 1.00 35.22 H new ATOM 0 HB2 GLU A 21 7.552 7.963 -3.780 1.00 0.32 H new ATOM 0 HB3 GLU A 21 8.009 9.611 -3.397 1.00 0.32 H new ATOM 0 HG2 GLU A 21 7.877 8.319 -6.140 1.00 3.44 H new ATOM 0 HG3 GLU A 21 6.878 9.620 -5.524 1.00 3.44 H new ATOM 343 N VAL A 22 9.477 6.669 -2.082 1.00 64.24 N ATOM 344 CA VAL A 22 9.652 6.073 -0.738 1.00 51.20 C ATOM 345 C VAL A 22 11.148 5.958 -0.397 1.00 64.10 C ATOM 346 O VAL A 22 11.555 6.204 0.730 1.00 70.21 O ATOM 347 CB VAL A 22 8.995 4.641 -0.629 1.00 65.13 C ATOM 348 CG1 VAL A 22 9.127 4.062 0.800 1.00 73.35 C ATOM 349 CG2 VAL A 22 7.524 4.662 -1.073 1.00 53.24 C ATOM 0 H VAL A 22 9.003 6.052 -2.742 1.00 64.24 H new ATOM 0 HA VAL A 22 9.151 6.735 -0.032 1.00 51.20 H new ATOM 0 HB VAL A 22 9.542 3.986 -1.307 1.00 65.13 H new ATOM 0 HG11 VAL A 22 8.664 3.076 0.837 1.00 73.35 H new ATOM 0 HG12 VAL A 22 10.182 3.978 1.062 1.00 73.35 H new ATOM 0 HG13 VAL A 22 8.629 4.724 1.508 1.00 73.35 H new ATOM 0 HG21 VAL A 22 7.103 3.660 -0.985 1.00 53.24 H new ATOM 0 HG22 VAL A 22 6.962 5.348 -0.439 1.00 53.24 H new ATOM 0 HG23 VAL A 22 7.462 4.992 -2.110 1.00 53.24 H new ATOM 359 N GLN A 23 11.941 5.597 -1.414 1.00 63.32 N ATOM 360 CA GLN A 23 13.388 5.372 -1.277 1.00 12.23 C ATOM 361 C GLN A 23 14.155 6.700 -1.082 1.00 51.42 C ATOM 362 O GLN A 23 15.203 6.724 -0.423 1.00 54.45 O ATOM 363 CB GLN A 23 13.894 4.588 -2.514 1.00 50.03 C ATOM 364 CG GLN A 23 13.206 3.213 -2.682 1.00 64.31 C ATOM 365 CD GLN A 23 13.603 2.454 -3.950 1.00 71.25 C ATOM 366 OE1 GLN A 23 13.932 3.051 -4.976 1.00 14.22 O ATOM 367 NE2 GLN A 23 13.550 1.131 -3.892 1.00 44.01 N ATOM 0 H GLN A 23 11.595 5.451 -2.362 1.00 63.32 H new ATOM 0 HA GLN A 23 13.577 4.780 -0.381 1.00 12.23 H new ATOM 0 HB2 GLN A 23 13.724 5.185 -3.410 1.00 50.03 H new ATOM 0 HB3 GLN A 23 14.971 4.441 -2.429 1.00 50.03 H new ATOM 0 HG2 GLN A 23 13.441 2.595 -1.815 1.00 64.31 H new ATOM 0 HG3 GLN A 23 12.126 3.360 -2.685 1.00 64.31 H new ATOM 0 HE21 GLN A 23 13.273 0.669 -3.026 1.00 44.01 H new ATOM 0 HE22 GLN A 23 13.786 0.575 -4.714 1.00 44.01 H new ATOM 376 N LYS A 24 13.622 7.801 -1.652 1.00 11.05 N ATOM 377 CA LYS A 24 14.177 9.162 -1.442 1.00 54.30 C ATOM 378 C LYS A 24 13.765 9.701 -0.057 1.00 52.12 C ATOM 379 O LYS A 24 14.518 10.447 0.577 1.00 1.23 O ATOM 380 CB LYS A 24 13.701 10.140 -2.551 1.00 3.14 C ATOM 381 CG LYS A 24 14.228 9.826 -3.970 1.00 53.42 C ATOM 382 CD LYS A 24 13.777 10.868 -5.031 1.00 45.12 C ATOM 383 CE LYS A 24 12.250 11.020 -5.106 1.00 73.44 C ATOM 384 NZ LYS A 24 11.821 11.987 -6.154 1.00 22.43 N ATOM 0 H LYS A 24 12.806 7.777 -2.263 1.00 11.05 H new ATOM 0 HA LYS A 24 15.264 9.090 -1.491 1.00 54.30 H new ATOM 0 HB2 LYS A 24 12.611 10.135 -2.575 1.00 3.14 H new ATOM 0 HB3 LYS A 24 14.009 11.150 -2.281 1.00 3.14 H new ATOM 0 HG2 LYS A 24 15.317 9.788 -3.947 1.00 53.42 H new ATOM 0 HG3 LYS A 24 13.881 8.837 -4.270 1.00 53.42 H new ATOM 0 HD2 LYS A 24 14.222 11.835 -4.796 1.00 45.12 H new ATOM 0 HD3 LYS A 24 14.156 10.571 -6.009 1.00 45.12 H new ATOM 0 HE2 LYS A 24 11.801 10.048 -5.309 1.00 73.44 H new ATOM 0 HE3 LYS A 24 11.873 11.349 -4.137 1.00 73.44 H new ATOM 0 HZ1 LYS A 24 10.782 12.027 -6.185 1.00 22.43 H new ATOM 0 HZ2 LYS A 24 12.197 12.931 -5.931 1.00 22.43 H new ATOM 0 HZ3 LYS A 24 12.184 11.680 -7.079 1.00 22.43 H new ATOM 398 N HIS A 25 12.554 9.312 0.383 1.00 24.04 N ATOM 399 CA HIS A 25 11.964 9.740 1.671 1.00 70.22 C ATOM 400 C HIS A 25 12.738 9.103 2.844 1.00 34.44 C ATOM 401 O HIS A 25 13.190 9.797 3.767 1.00 33.52 O ATOM 402 CB HIS A 25 10.464 9.327 1.693 1.00 13.10 C ATOM 403 CG HIS A 25 9.662 9.835 2.867 1.00 14.00 C ATOM 404 ND1 HIS A 25 8.723 10.827 2.708 1.00 62.44 N ATOM 405 CD2 HIS A 25 9.653 9.436 4.164 1.00 73.45 C ATOM 406 CE1 HIS A 25 8.169 10.999 3.889 1.00 64.03 C ATOM 407 NE2 HIS A 25 8.698 10.185 4.798 1.00 54.43 N ATOM 0 H HIS A 25 11.949 8.686 -0.149 1.00 24.04 H new ATOM 0 HA HIS A 25 12.035 10.822 1.778 1.00 70.22 H new ATOM 0 HB2 HIS A 25 9.995 9.682 0.775 1.00 13.10 H new ATOM 0 HB3 HIS A 25 10.406 8.239 1.680 1.00 13.10 H new ATOM 0 HD2 HIS A 25 10.277 8.676 4.609 1.00 73.45 H new ATOM 0 HE1 HIS A 25 7.384 11.711 4.094 1.00 64.03 H new ATOM 0 HE2 HIS A 25 8.440 10.129 5.783 1.00 54.43 H new ATOM 415 N ASP A 26 12.877 7.774 2.773 1.00 21.14 N ATOM 416 CA ASP A 26 13.651 6.969 3.722 1.00 61.32 C ATOM 417 C ASP A 26 14.081 5.661 3.024 1.00 44.31 C ATOM 418 O ASP A 26 13.220 4.861 2.640 1.00 3.12 O ATOM 419 CB ASP A 26 12.835 6.654 5.002 1.00 3.44 C ATOM 420 CG ASP A 26 13.659 5.869 6.042 1.00 70.41 C ATOM 421 OD1 ASP A 26 14.554 6.467 6.680 1.00 71.21 O ATOM 422 OD2 ASP A 26 13.451 4.650 6.200 1.00 10.24 O ATOM 0 H ASP A 26 12.444 7.217 2.037 1.00 21.14 H new ATOM 0 HA ASP A 26 14.529 7.536 4.032 1.00 61.32 H new ATOM 0 HB2 ASP A 26 12.486 7.586 5.446 1.00 3.44 H new ATOM 0 HB3 ASP A 26 11.950 6.078 4.733 1.00 3.44 H new ATOM 427 N PRO A 27 15.419 5.415 2.851 1.00 13.53 N ATOM 428 CA PRO A 27 15.936 4.229 2.113 1.00 65.14 C ATOM 429 C PRO A 27 15.651 2.884 2.828 1.00 21.51 C ATOM 430 O PRO A 27 15.699 1.821 2.203 1.00 72.24 O ATOM 431 CB PRO A 27 17.468 4.499 2.012 1.00 32.23 C ATOM 432 CG PRO A 27 17.641 5.951 2.371 1.00 22.34 C ATOM 433 CD PRO A 27 16.537 6.258 3.351 1.00 50.12 C ATOM 0 HA PRO A 27 15.446 4.119 1.146 1.00 65.14 H new ATOM 0 HB2 PRO A 27 18.026 3.856 2.693 1.00 32.23 H new ATOM 0 HB3 PRO A 27 17.838 4.296 1.007 1.00 32.23 H new ATOM 0 HG2 PRO A 27 18.620 6.132 2.814 1.00 22.34 H new ATOM 0 HG3 PRO A 27 17.569 6.585 1.487 1.00 22.34 H new ATOM 0 HD2 PRO A 27 16.817 5.997 4.372 1.00 50.12 H new ATOM 0 HD3 PRO A 27 16.278 7.317 3.352 1.00 50.12 H new ATOM 441 N ASN A 28 15.338 2.956 4.135 1.00 23.10 N ATOM 442 CA ASN A 28 15.234 1.772 5.019 1.00 3.15 C ATOM 443 C ASN A 28 13.830 1.149 4.956 1.00 55.41 C ATOM 444 O ASN A 28 13.638 0.006 5.404 1.00 25.34 O ATOM 445 CB ASN A 28 15.582 2.165 6.481 1.00 60.54 C ATOM 446 CG ASN A 28 16.872 2.982 6.576 1.00 71.42 C ATOM 447 OD1 ASN A 28 17.967 2.435 6.729 1.00 52.22 O ATOM 448 ND2 ASN A 28 16.751 4.299 6.480 1.00 52.30 N ATOM 0 H ASN A 28 15.149 3.837 4.612 1.00 23.10 H new ATOM 0 HA ASN A 28 15.948 1.026 4.669 1.00 3.15 H new ATOM 0 HB2 ASN A 28 14.759 2.740 6.905 1.00 60.54 H new ATOM 0 HB3 ASN A 28 15.683 1.262 7.083 1.00 60.54 H new ATOM 0 HD21 ASN A 28 17.579 4.892 6.532 1.00 52.30 H new ATOM 0 HD22 ASN A 28 15.830 4.719 6.354 1.00 52.30 H new ATOM 455 N VAL A 29 12.842 1.914 4.436 1.00 12.34 N ATOM 456 CA VAL A 29 11.474 1.405 4.229 1.00 44.31 C ATOM 457 C VAL A 29 11.481 0.360 3.100 1.00 33.03 C ATOM 458 O VAL A 29 11.897 0.662 1.974 1.00 2.22 O ATOM 459 CB VAL A 29 10.432 2.538 3.897 1.00 14.05 C ATOM 460 CG1 VAL A 29 8.989 1.967 3.800 1.00 15.43 C ATOM 461 CG2 VAL A 29 10.493 3.680 4.931 1.00 31.15 C ATOM 0 H VAL A 29 12.971 2.886 4.153 1.00 12.34 H new ATOM 0 HA VAL A 29 11.157 0.954 5.170 1.00 44.31 H new ATOM 0 HB VAL A 29 10.701 2.949 2.924 1.00 14.05 H new ATOM 0 HG11 VAL A 29 8.293 2.774 3.570 1.00 15.43 H new ATOM 0 HG12 VAL A 29 8.947 1.216 3.011 1.00 15.43 H new ATOM 0 HG13 VAL A 29 8.714 1.511 4.751 1.00 15.43 H new ATOM 0 HG21 VAL A 29 9.761 4.445 4.672 1.00 31.15 H new ATOM 0 HG22 VAL A 29 10.270 3.286 5.922 1.00 31.15 H new ATOM 0 HG23 VAL A 29 11.491 4.118 4.931 1.00 31.15 H new ATOM 471 N LYS A 30 11.049 -0.866 3.429 1.00 41.20 N ATOM 472 CA LYS A 30 10.982 -1.978 2.472 1.00 10.25 C ATOM 473 C LYS A 30 9.876 -1.741 1.448 1.00 70.10 C ATOM 474 O LYS A 30 8.826 -1.201 1.781 1.00 14.41 O ATOM 475 CB LYS A 30 10.756 -3.320 3.217 1.00 33.13 C ATOM 476 CG LYS A 30 11.990 -3.819 3.992 1.00 63.42 C ATOM 477 CD LYS A 30 13.184 -4.132 3.061 1.00 22.43 C ATOM 478 CE LYS A 30 12.877 -5.250 2.045 1.00 4.23 C ATOM 479 NZ LYS A 30 12.479 -6.510 2.716 1.00 32.12 N ATOM 0 H LYS A 30 10.736 -1.114 4.368 1.00 41.20 H new ATOM 0 HA LYS A 30 11.932 -2.033 1.941 1.00 10.25 H new ATOM 0 HB2 LYS A 30 9.925 -3.203 3.913 1.00 33.13 H new ATOM 0 HB3 LYS A 30 10.461 -4.081 2.494 1.00 33.13 H new ATOM 0 HG2 LYS A 30 12.288 -3.064 4.720 1.00 63.42 H new ATOM 0 HG3 LYS A 30 11.725 -4.715 4.553 1.00 63.42 H new ATOM 0 HD2 LYS A 30 13.466 -3.227 2.523 1.00 22.43 H new ATOM 0 HD3 LYS A 30 14.043 -4.424 3.666 1.00 22.43 H new ATOM 0 HE2 LYS A 30 12.078 -4.926 1.378 1.00 4.23 H new ATOM 0 HE3 LYS A 30 13.756 -5.430 1.426 1.00 4.23 H new ATOM 0 HZ1 LYS A 30 13.209 -7.234 2.557 1.00 32.12 H new ATOM 0 HZ2 LYS A 30 12.375 -6.342 3.737 1.00 32.12 H new ATOM 0 HZ3 LYS A 30 11.573 -6.840 2.326 1.00 32.12 H new ATOM 493 N THR A 31 10.140 -2.135 0.198 1.00 32.20 N ATOM 494 CA THR A 31 9.199 -1.979 -0.921 1.00 52.54 C ATOM 495 C THR A 31 9.086 -3.316 -1.676 1.00 64.53 C ATOM 496 O THR A 31 10.095 -3.847 -2.157 1.00 42.12 O ATOM 497 CB THR A 31 9.658 -0.830 -1.882 1.00 61.53 C ATOM 498 OG1 THR A 31 11.032 -1.027 -2.270 1.00 20.42 O ATOM 499 CG2 THR A 31 9.502 0.563 -1.236 1.00 13.22 C ATOM 0 H THR A 31 11.020 -2.575 -0.070 1.00 32.20 H new ATOM 0 HA THR A 31 8.219 -1.704 -0.530 1.00 52.54 H new ATOM 0 HB THR A 31 9.014 -0.867 -2.761 1.00 61.53 H new ATOM 0 HG1 THR A 31 11.246 -1.983 -2.243 1.00 20.42 H new ATOM 0 HG21 THR A 31 9.832 1.329 -1.938 1.00 13.22 H new ATOM 0 HG22 THR A 31 8.456 0.731 -0.982 1.00 13.22 H new ATOM 0 HG23 THR A 31 10.108 0.615 -0.331 1.00 13.22 H new ATOM 507 N VAL A 32 7.858 -3.851 -1.754 1.00 13.01 N ATOM 508 CA VAL A 32 7.577 -5.182 -2.316 1.00 24.23 C ATOM 509 C VAL A 32 6.734 -5.036 -3.602 1.00 51.53 C ATOM 510 O VAL A 32 5.672 -4.426 -3.552 1.00 63.43 O ATOM 511 CB VAL A 32 6.802 -6.084 -1.282 1.00 13.32 C ATOM 512 CG1 VAL A 32 6.693 -7.544 -1.778 1.00 42.25 C ATOM 513 CG2 VAL A 32 7.453 -6.023 0.116 1.00 11.43 C ATOM 0 H VAL A 32 7.023 -3.367 -1.425 1.00 13.01 H new ATOM 0 HA VAL A 32 8.528 -5.661 -2.547 1.00 24.23 H new ATOM 0 HB VAL A 32 5.791 -5.685 -1.197 1.00 13.32 H new ATOM 0 HG11 VAL A 32 6.153 -8.139 -1.042 1.00 42.25 H new ATOM 0 HG12 VAL A 32 6.157 -7.567 -2.727 1.00 42.25 H new ATOM 0 HG13 VAL A 32 7.692 -7.957 -1.916 1.00 42.25 H new ATOM 0 HG21 VAL A 32 6.894 -6.656 0.805 1.00 11.43 H new ATOM 0 HG22 VAL A 32 8.483 -6.375 0.054 1.00 11.43 H new ATOM 0 HG23 VAL A 32 7.442 -4.995 0.478 1.00 11.43 H new ATOM 523 N PRO A 33 7.201 -5.555 -4.775 1.00 32.33 N ATOM 524 CA PRO A 33 6.396 -5.570 -6.024 1.00 61.34 C ATOM 525 C PRO A 33 5.377 -6.746 -6.067 1.00 62.34 C ATOM 526 O PRO A 33 5.359 -7.602 -5.169 1.00 11.14 O ATOM 527 CB PRO A 33 7.491 -5.696 -7.109 1.00 33.00 C ATOM 528 CG PRO A 33 8.567 -6.511 -6.461 1.00 61.20 C ATOM 529 CD PRO A 33 8.560 -6.127 -4.993 1.00 41.21 C ATOM 0 HA PRO A 33 5.763 -4.691 -6.142 1.00 61.34 H new ATOM 0 HB2 PRO A 33 7.108 -6.184 -8.005 1.00 33.00 H new ATOM 0 HB3 PRO A 33 7.863 -4.718 -7.414 1.00 33.00 H new ATOM 0 HG2 PRO A 33 8.377 -7.577 -6.586 1.00 61.20 H new ATOM 0 HG3 PRO A 33 9.537 -6.305 -6.913 1.00 61.20 H new ATOM 0 HD2 PRO A 33 8.736 -6.992 -4.354 1.00 41.21 H new ATOM 0 HD3 PRO A 33 9.340 -5.400 -4.767 1.00 41.21 H new ATOM 537 N THR A 34 4.557 -6.783 -7.140 1.00 11.21 N ATOM 538 CA THR A 34 3.439 -7.751 -7.285 1.00 51.43 C ATOM 539 C THR A 34 3.949 -9.194 -7.489 1.00 34.31 C ATOM 540 O THR A 34 3.271 -10.159 -7.097 1.00 50.42 O ATOM 541 CB THR A 34 2.497 -7.378 -8.481 1.00 24.13 C ATOM 542 OG1 THR A 34 3.209 -7.508 -9.717 1.00 71.31 O ATOM 543 CG2 THR A 34 1.940 -5.948 -8.376 1.00 44.04 C ATOM 0 H THR A 34 4.648 -6.145 -7.931 1.00 11.21 H new ATOM 0 HA THR A 34 2.876 -7.698 -6.353 1.00 51.43 H new ATOM 0 HB THR A 34 1.653 -8.067 -8.445 1.00 24.13 H new ATOM 0 HG1 THR A 34 3.022 -6.732 -10.285 1.00 71.31 H new ATOM 0 HG21 THR A 34 1.295 -5.745 -9.231 1.00 44.04 H new ATOM 0 HG22 THR A 34 1.365 -5.848 -7.455 1.00 44.04 H new ATOM 0 HG23 THR A 34 2.765 -5.236 -8.367 1.00 44.04 H new ATOM 551 N LYS A 35 5.143 -9.322 -8.116 1.00 40.15 N ATOM 552 CA LYS A 35 5.788 -10.629 -8.381 1.00 1.54 C ATOM 553 C LYS A 35 6.049 -11.405 -7.076 1.00 22.32 C ATOM 554 O LYS A 35 6.031 -12.639 -7.058 1.00 62.45 O ATOM 555 CB LYS A 35 7.138 -10.452 -9.141 1.00 3.21 C ATOM 556 CG LYS A 35 8.213 -9.647 -8.367 1.00 3.54 C ATOM 557 CD LYS A 35 9.657 -9.897 -8.870 1.00 10.04 C ATOM 558 CE LYS A 35 10.703 -9.135 -8.033 1.00 15.31 C ATOM 559 NZ LYS A 35 12.094 -9.490 -8.408 1.00 44.14 N ATOM 0 H LYS A 35 5.684 -8.525 -8.451 1.00 40.15 H new ATOM 0 HA LYS A 35 5.096 -11.197 -9.003 1.00 1.54 H new ATOM 0 HB2 LYS A 35 7.540 -11.438 -9.376 1.00 3.21 H new ATOM 0 HB3 LYS A 35 6.943 -9.953 -10.090 1.00 3.21 H new ATOM 0 HG2 LYS A 35 7.988 -8.584 -8.449 1.00 3.54 H new ATOM 0 HG3 LYS A 35 8.156 -9.904 -7.309 1.00 3.54 H new ATOM 0 HD2 LYS A 35 9.873 -10.965 -8.834 1.00 10.04 H new ATOM 0 HD3 LYS A 35 9.735 -9.591 -9.913 1.00 10.04 H new ATOM 0 HE2 LYS A 35 10.557 -8.063 -8.163 1.00 15.31 H new ATOM 0 HE3 LYS A 35 10.548 -9.353 -6.976 1.00 15.31 H new ATOM 0 HZ1 LYS A 35 12.761 -8.952 -7.818 1.00 44.14 H new ATOM 0 HZ2 LYS A 35 12.244 -10.508 -8.260 1.00 44.14 H new ATOM 0 HZ3 LYS A 35 12.253 -9.258 -9.409 1.00 44.14 H new ATOM 573 N ASP A 36 6.283 -10.648 -5.988 1.00 54.43 N ATOM 574 CA ASP A 36 6.640 -11.183 -4.668 1.00 24.41 C ATOM 575 C ASP A 36 5.402 -11.285 -3.760 1.00 41.01 C ATOM 576 O ASP A 36 5.523 -11.137 -2.545 1.00 71.00 O ATOM 577 CB ASP A 36 7.731 -10.275 -4.016 1.00 14.12 C ATOM 578 CG ASP A 36 9.092 -10.279 -4.731 1.00 64.41 C ATOM 579 OD1 ASP A 36 9.446 -11.296 -5.375 1.00 13.31 O ATOM 580 OD2 ASP A 36 9.841 -9.281 -4.618 1.00 54.43 O ATOM 0 H ASP A 36 6.227 -9.630 -6.006 1.00 54.43 H new ATOM 0 HA ASP A 36 7.040 -12.189 -4.792 1.00 24.41 H new ATOM 0 HB2 ASP A 36 7.358 -9.251 -3.983 1.00 14.12 H new ATOM 0 HB3 ASP A 36 7.879 -10.594 -2.984 1.00 14.12 H new ATOM 585 N LYS A 37 4.227 -11.581 -4.359 1.00 2.11 N ATOM 586 CA LYS A 37 2.936 -11.691 -3.633 1.00 55.15 C ATOM 587 C LYS A 37 3.006 -12.705 -2.466 1.00 22.12 C ATOM 588 O LYS A 37 2.511 -12.424 -1.365 1.00 55.53 O ATOM 589 CB LYS A 37 1.782 -12.030 -4.638 1.00 34.23 C ATOM 590 CG LYS A 37 0.400 -12.408 -4.005 1.00 71.24 C ATOM 591 CD LYS A 37 0.239 -13.939 -3.780 1.00 24.31 C ATOM 592 CE LYS A 37 -0.963 -14.307 -2.907 1.00 33.02 C ATOM 593 NZ LYS A 37 -1.045 -15.780 -2.687 1.00 74.32 N ATOM 0 H LYS A 37 4.144 -11.751 -5.361 1.00 2.11 H new ATOM 0 HA LYS A 37 2.720 -10.725 -3.177 1.00 55.15 H new ATOM 0 HB2 LYS A 37 1.635 -11.171 -5.293 1.00 34.23 H new ATOM 0 HB3 LYS A 37 2.108 -12.858 -5.267 1.00 34.23 H new ATOM 0 HG2 LYS A 37 0.289 -11.892 -3.052 1.00 71.24 H new ATOM 0 HG3 LYS A 37 -0.401 -12.055 -4.654 1.00 71.24 H new ATOM 0 HD2 LYS A 37 0.139 -14.431 -4.747 1.00 24.31 H new ATOM 0 HD3 LYS A 37 1.146 -14.327 -3.317 1.00 24.31 H new ATOM 0 HE2 LYS A 37 -0.886 -13.798 -1.946 1.00 33.02 H new ATOM 0 HE3 LYS A 37 -1.880 -13.957 -3.381 1.00 33.02 H new ATOM 0 HZ1 LYS A 37 -1.987 -16.121 -2.966 1.00 74.32 H new ATOM 0 HZ2 LYS A 37 -0.321 -16.258 -3.261 1.00 74.32 H new ATOM 0 HZ3 LYS A 37 -0.884 -15.990 -1.681 1.00 74.32 H new ATOM 607 N GLU A 38 3.619 -13.880 -2.715 1.00 51.14 N ATOM 608 CA GLU A 38 3.808 -14.907 -1.675 1.00 12.52 C ATOM 609 C GLU A 38 4.771 -14.395 -0.591 1.00 0.12 C ATOM 610 O GLU A 38 4.563 -14.621 0.608 1.00 63.21 O ATOM 611 CB GLU A 38 4.360 -16.224 -2.281 1.00 13.52 C ATOM 612 CG GLU A 38 3.492 -16.867 -3.389 1.00 51.10 C ATOM 613 CD GLU A 38 2.058 -17.256 -2.969 1.00 12.24 C ATOM 614 OE1 GLU A 38 1.794 -17.480 -1.767 1.00 62.43 O ATOM 615 OE2 GLU A 38 1.186 -17.354 -3.853 1.00 61.23 O ATOM 0 H GLU A 38 3.991 -14.140 -3.628 1.00 51.14 H new ATOM 0 HA GLU A 38 2.835 -15.113 -1.229 1.00 12.52 H new ATOM 0 HB2 GLU A 38 5.351 -16.027 -2.690 1.00 13.52 H new ATOM 0 HB3 GLU A 38 4.485 -16.949 -1.476 1.00 13.52 H new ATOM 0 HG2 GLU A 38 3.431 -16.173 -4.227 1.00 51.10 H new ATOM 0 HG3 GLU A 38 4.000 -17.760 -3.752 1.00 51.10 H new ATOM 622 N LYS A 39 5.816 -13.677 -1.043 1.00 51.12 N ATOM 623 CA LYS A 39 6.850 -13.112 -0.165 1.00 4.14 C ATOM 624 C LYS A 39 6.294 -11.990 0.724 1.00 71.21 C ATOM 625 O LYS A 39 6.847 -11.764 1.793 1.00 1.03 O ATOM 626 CB LYS A 39 8.052 -12.588 -0.997 1.00 45.02 C ATOM 627 CG LYS A 39 8.860 -13.687 -1.720 1.00 32.33 C ATOM 628 CD LYS A 39 10.094 -13.130 -2.472 1.00 75.34 C ATOM 629 CE LYS A 39 10.899 -14.218 -3.210 1.00 35.12 C ATOM 630 NZ LYS A 39 11.462 -15.230 -2.272 1.00 43.04 N ATOM 0 H LYS A 39 5.965 -13.473 -2.031 1.00 51.12 H new ATOM 0 HA LYS A 39 7.193 -13.916 0.487 1.00 4.14 H new ATOM 0 HB2 LYS A 39 7.683 -11.880 -1.738 1.00 45.02 H new ATOM 0 HB3 LYS A 39 8.722 -12.038 -0.336 1.00 45.02 H new ATOM 0 HG2 LYS A 39 9.189 -14.428 -0.992 1.00 32.33 H new ATOM 0 HG3 LYS A 39 8.211 -14.202 -2.428 1.00 32.33 H new ATOM 0 HD2 LYS A 39 9.765 -12.380 -3.191 1.00 75.34 H new ATOM 0 HD3 LYS A 39 10.747 -12.624 -1.761 1.00 75.34 H new ATOM 0 HE2 LYS A 39 10.256 -14.715 -3.936 1.00 35.12 H new ATOM 0 HE3 LYS A 39 11.710 -13.752 -3.770 1.00 35.12 H new ATOM 0 HZ1 LYS A 39 12.065 -15.894 -2.799 1.00 43.04 H new ATOM 0 HZ2 LYS A 39 12.029 -14.751 -1.543 1.00 43.04 H new ATOM 0 HZ3 LYS A 39 10.686 -15.753 -1.818 1.00 43.04 H new ATOM 644 N VAL A 40 5.199 -11.307 0.276 1.00 30.21 N ATOM 645 CA VAL A 40 4.591 -10.162 1.011 1.00 30.41 C ATOM 646 C VAL A 40 4.256 -10.546 2.465 1.00 21.44 C ATOM 647 O VAL A 40 4.550 -9.790 3.388 1.00 44.42 O ATOM 648 CB VAL A 40 3.278 -9.605 0.329 1.00 51.12 C ATOM 649 CG1 VAL A 40 2.664 -8.455 1.157 1.00 15.14 C ATOM 650 CG2 VAL A 40 3.530 -9.136 -1.118 1.00 14.50 C ATOM 0 H VAL A 40 4.720 -11.534 -0.595 1.00 30.21 H new ATOM 0 HA VAL A 40 5.347 -9.377 0.988 1.00 30.41 H new ATOM 0 HB VAL A 40 2.569 -10.433 0.294 1.00 51.12 H new ATOM 0 HG11 VAL A 40 1.762 -8.092 0.663 1.00 15.14 H new ATOM 0 HG12 VAL A 40 2.411 -8.819 2.153 1.00 15.14 H new ATOM 0 HG13 VAL A 40 3.385 -7.641 1.240 1.00 15.14 H new ATOM 0 HG21 VAL A 40 2.600 -8.762 -1.546 1.00 14.50 H new ATOM 0 HG22 VAL A 40 4.276 -8.341 -1.118 1.00 14.50 H new ATOM 0 HG23 VAL A 40 3.893 -9.974 -1.714 1.00 14.50 H new ATOM 660 N LYS A 41 3.648 -11.733 2.634 1.00 3.22 N ATOM 661 CA LYS A 41 3.288 -12.298 3.944 1.00 64.13 C ATOM 662 C LYS A 41 4.515 -12.341 4.885 1.00 34.25 C ATOM 663 O LYS A 41 4.438 -11.940 6.053 1.00 50.33 O ATOM 664 CB LYS A 41 2.685 -13.715 3.736 1.00 33.13 C ATOM 665 CG LYS A 41 2.422 -14.494 5.036 1.00 62.44 C ATOM 666 CD LYS A 41 1.873 -15.921 4.788 1.00 15.44 C ATOM 667 CE LYS A 41 1.884 -16.778 6.066 1.00 62.44 C ATOM 668 NZ LYS A 41 3.266 -16.988 6.579 1.00 34.13 N ATOM 0 H LYS A 41 3.390 -12.335 1.852 1.00 3.22 H new ATOM 0 HA LYS A 41 2.543 -11.661 4.421 1.00 64.13 H new ATOM 0 HB2 LYS A 41 1.747 -13.620 3.188 1.00 33.13 H new ATOM 0 HB3 LYS A 41 3.362 -14.296 3.110 1.00 33.13 H new ATOM 0 HG2 LYS A 41 3.349 -14.562 5.606 1.00 62.44 H new ATOM 0 HG3 LYS A 41 1.711 -13.939 5.648 1.00 62.44 H new ATOM 0 HD2 LYS A 41 0.854 -15.855 4.405 1.00 15.44 H new ATOM 0 HD3 LYS A 41 2.471 -16.410 4.019 1.00 15.44 H new ATOM 0 HE2 LYS A 41 1.281 -16.293 6.834 1.00 62.44 H new ATOM 0 HE3 LYS A 41 1.422 -17.744 5.860 1.00 62.44 H new ATOM 0 HZ1 LYS A 41 3.431 -18.004 6.726 1.00 34.13 H new ATOM 0 HZ2 LYS A 41 3.952 -16.622 5.888 1.00 34.13 H new ATOM 0 HZ3 LYS A 41 3.382 -16.484 7.482 1.00 34.13 H new ATOM 682 N GLU A 42 5.653 -12.785 4.331 1.00 40.52 N ATOM 683 CA GLU A 42 6.921 -12.865 5.065 1.00 62.33 C ATOM 684 C GLU A 42 7.460 -11.454 5.346 1.00 11.23 C ATOM 685 O GLU A 42 7.916 -11.177 6.441 1.00 64.21 O ATOM 686 CB GLU A 42 7.961 -13.686 4.261 1.00 3.01 C ATOM 687 CG GLU A 42 7.435 -15.028 3.715 1.00 51.43 C ATOM 688 CD GLU A 42 6.867 -15.964 4.800 1.00 23.14 C ATOM 689 OE1 GLU A 42 7.658 -16.644 5.482 1.00 24.11 O ATOM 690 OE2 GLU A 42 5.627 -16.035 4.969 1.00 35.23 O ATOM 0 H GLU A 42 5.718 -13.098 3.362 1.00 40.52 H new ATOM 0 HA GLU A 42 6.742 -13.369 6.015 1.00 62.33 H new ATOM 0 HB2 GLU A 42 8.314 -13.082 3.425 1.00 3.01 H new ATOM 0 HB3 GLU A 42 8.823 -13.881 4.899 1.00 3.01 H new ATOM 0 HG2 GLU A 42 6.658 -14.829 2.977 1.00 51.43 H new ATOM 0 HG3 GLU A 42 8.245 -15.540 3.195 1.00 51.43 H new ATOM 697 N GLU A 43 7.349 -10.567 4.343 1.00 21.32 N ATOM 698 CA GLU A 43 7.867 -9.185 4.399 1.00 12.23 C ATOM 699 C GLU A 43 7.151 -8.349 5.485 1.00 50.35 C ATOM 700 O GLU A 43 7.770 -7.490 6.120 1.00 43.43 O ATOM 701 CB GLU A 43 7.710 -8.526 3.004 1.00 24.34 C ATOM 702 CG GLU A 43 8.578 -9.140 1.886 1.00 70.20 C ATOM 703 CD GLU A 43 10.068 -8.774 1.983 1.00 73.13 C ATOM 704 OE1 GLU A 43 10.817 -9.410 2.765 1.00 43.13 O ATOM 705 OE2 GLU A 43 10.505 -7.852 1.257 1.00 32.31 O ATOM 0 H GLU A 43 6.892 -10.790 3.459 1.00 21.32 H new ATOM 0 HA GLU A 43 8.922 -9.219 4.670 1.00 12.23 H new ATOM 0 HB2 GLU A 43 6.664 -8.589 2.706 1.00 24.34 H new ATOM 0 HB3 GLU A 43 7.953 -7.467 3.091 1.00 24.34 H new ATOM 0 HG2 GLU A 43 8.478 -10.225 1.916 1.00 70.20 H new ATOM 0 HG3 GLU A 43 8.195 -8.811 0.920 1.00 70.20 H new ATOM 712 N ILE A 44 5.848 -8.622 5.680 1.00 22.31 N ATOM 713 CA ILE A 44 5.015 -7.966 6.711 1.00 72.45 C ATOM 714 C ILE A 44 5.437 -8.472 8.106 1.00 24.35 C ATOM 715 O ILE A 44 5.490 -7.699 9.070 1.00 0.43 O ATOM 716 CB ILE A 44 3.477 -8.228 6.462 1.00 14.40 C ATOM 717 CG1 ILE A 44 3.011 -7.562 5.126 1.00 32.32 C ATOM 718 CG2 ILE A 44 2.606 -7.747 7.651 1.00 23.14 C ATOM 719 CD1 ILE A 44 1.554 -7.818 4.767 1.00 73.14 C ATOM 0 H ILE A 44 5.338 -9.308 5.124 1.00 22.31 H new ATOM 0 HA ILE A 44 5.172 -6.889 6.654 1.00 72.45 H new ATOM 0 HB ILE A 44 3.341 -9.306 6.378 1.00 14.40 H new ATOM 0 HG12 ILE A 44 3.171 -6.486 5.196 1.00 32.32 H new ATOM 0 HG13 ILE A 44 3.641 -7.926 4.314 1.00 32.32 H new ATOM 0 HG21 ILE A 44 1.556 -7.947 7.437 1.00 23.14 H new ATOM 0 HG22 ILE A 44 2.900 -8.279 8.556 1.00 23.14 H new ATOM 0 HG23 ILE A 44 2.749 -6.676 7.797 1.00 23.14 H new ATOM 0 HD11 ILE A 44 1.318 -7.319 3.827 1.00 73.14 H new ATOM 0 HD12 ILE A 44 1.388 -8.890 4.661 1.00 73.14 H new ATOM 0 HD13 ILE A 44 0.911 -7.428 5.556 1.00 73.14 H new ATOM 731 N GLU A 45 5.760 -9.781 8.177 1.00 45.13 N ATOM 732 CA GLU A 45 6.329 -10.415 9.380 1.00 40.22 C ATOM 733 C GLU A 45 7.663 -9.737 9.757 1.00 44.12 C ATOM 734 O GLU A 45 7.913 -9.486 10.936 1.00 11.23 O ATOM 735 CB GLU A 45 6.558 -11.934 9.137 1.00 32.10 C ATOM 736 CG GLU A 45 7.276 -12.676 10.289 1.00 72.42 C ATOM 737 CD GLU A 45 7.697 -14.107 9.919 1.00 4.23 C ATOM 738 OE1 GLU A 45 6.815 -14.984 9.784 1.00 42.33 O ATOM 739 OE2 GLU A 45 8.911 -14.360 9.737 1.00 13.20 O ATOM 0 H GLU A 45 5.632 -10.427 7.398 1.00 45.13 H new ATOM 0 HA GLU A 45 5.623 -10.294 10.202 1.00 40.22 H new ATOM 0 HB2 GLU A 45 5.592 -12.409 8.964 1.00 32.10 H new ATOM 0 HB3 GLU A 45 7.142 -12.057 8.225 1.00 32.10 H new ATOM 0 HG2 GLU A 45 8.159 -12.109 10.583 1.00 72.42 H new ATOM 0 HG3 GLU A 45 6.617 -12.711 11.156 1.00 72.42 H new ATOM 746 N LYS A 46 8.507 -9.438 8.735 1.00 44.40 N ATOM 747 CA LYS A 46 9.835 -8.821 8.958 1.00 53.11 C ATOM 748 C LYS A 46 9.663 -7.384 9.468 1.00 11.24 C ATOM 749 O LYS A 46 10.335 -6.975 10.404 1.00 72.12 O ATOM 750 CB LYS A 46 10.721 -8.818 7.673 1.00 30.25 C ATOM 751 CG LYS A 46 10.754 -10.139 6.867 1.00 43.34 C ATOM 752 CD LYS A 46 10.943 -11.414 7.726 1.00 14.24 C ATOM 753 CE LYS A 46 10.888 -12.699 6.884 1.00 34.33 C ATOM 754 NZ LYS A 46 11.022 -13.923 7.720 1.00 11.15 N ATOM 0 H LYS A 46 8.290 -9.614 7.754 1.00 44.40 H new ATOM 0 HA LYS A 46 10.348 -9.428 9.704 1.00 53.11 H new ATOM 0 HB2 LYS A 46 10.369 -8.023 7.015 1.00 30.25 H new ATOM 0 HB3 LYS A 46 11.742 -8.566 7.960 1.00 30.25 H new ATOM 0 HG2 LYS A 46 9.824 -10.230 6.305 1.00 43.34 H new ATOM 0 HG3 LYS A 46 11.563 -10.085 6.138 1.00 43.34 H new ATOM 0 HD2 LYS A 46 11.901 -11.362 8.243 1.00 14.24 H new ATOM 0 HD3 LYS A 46 10.169 -11.451 8.492 1.00 14.24 H new ATOM 0 HE2 LYS A 46 9.945 -12.734 6.339 1.00 34.33 H new ATOM 0 HE3 LYS A 46 11.685 -12.679 6.141 1.00 34.33 H new ATOM 0 HZ1 LYS A 46 11.031 -14.763 7.107 1.00 11.15 H new ATOM 0 HZ2 LYS A 46 11.910 -13.879 8.260 1.00 11.15 H new ATOM 0 HZ3 LYS A 46 10.219 -13.983 8.378 1.00 11.15 H new ATOM 768 N ALA A 47 8.725 -6.646 8.841 1.00 5.43 N ATOM 769 CA ALA A 47 8.409 -5.250 9.202 1.00 24.12 C ATOM 770 C ALA A 47 7.851 -5.154 10.633 1.00 4.31 C ATOM 771 O ALA A 47 8.095 -4.170 11.340 1.00 42.32 O ATOM 772 CB ALA A 47 7.416 -4.665 8.194 1.00 34.21 C ATOM 0 H ALA A 47 8.164 -7.003 8.068 1.00 5.43 H new ATOM 0 HA ALA A 47 9.331 -4.670 9.171 1.00 24.12 H new ATOM 0 HB1 ALA A 47 7.186 -3.635 8.465 1.00 34.21 H new ATOM 0 HB2 ALA A 47 7.854 -4.688 7.196 1.00 34.21 H new ATOM 0 HB3 ALA A 47 6.500 -5.255 8.202 1.00 34.21 H new ATOM 778 N ARG A 48 7.097 -6.188 11.041 1.00 71.21 N ATOM 779 CA ARG A 48 6.564 -6.307 12.407 1.00 0.31 C ATOM 780 C ARG A 48 7.707 -6.566 13.407 1.00 53.04 C ATOM 781 O ARG A 48 7.791 -5.921 14.453 1.00 3.54 O ATOM 782 CB ARG A 48 5.534 -7.462 12.486 1.00 72.44 C ATOM 783 CG ARG A 48 4.857 -7.608 13.867 1.00 64.51 C ATOM 784 CD ARG A 48 3.941 -8.831 13.953 1.00 35.31 C ATOM 785 NE ARG A 48 3.209 -8.880 15.224 1.00 52.21 N ATOM 786 CZ ARG A 48 2.342 -9.837 15.579 1.00 15.03 C ATOM 787 NH1 ARG A 48 2.078 -10.861 14.768 1.00 10.43 N ATOM 788 NH2 ARG A 48 1.734 -9.753 16.751 1.00 33.23 N ATOM 0 H ARG A 48 6.840 -6.965 10.432 1.00 71.21 H new ATOM 0 HA ARG A 48 6.070 -5.370 12.664 1.00 0.31 H new ATOM 0 HB2 ARG A 48 4.765 -7.301 11.731 1.00 72.44 H new ATOM 0 HB3 ARG A 48 6.034 -8.398 12.237 1.00 72.44 H new ATOM 0 HG2 ARG A 48 5.625 -7.680 14.637 1.00 64.51 H new ATOM 0 HG3 ARG A 48 4.277 -6.710 14.079 1.00 64.51 H new ATOM 0 HD2 ARG A 48 3.231 -8.811 13.126 1.00 35.31 H new ATOM 0 HD3 ARG A 48 4.535 -9.738 13.841 1.00 35.31 H new ATOM 0 HE ARG A 48 3.374 -8.125 15.890 1.00 52.21 H new ATOM 0 HH11 ARG A 48 2.539 -10.925 13.860 1.00 10.43 H new ATOM 0 HH12 ARG A 48 1.415 -11.581 15.055 1.00 10.43 H new ATOM 0 HH21 ARG A 48 1.928 -8.967 17.371 1.00 33.23 H new ATOM 0 HH22 ARG A 48 1.071 -10.475 17.035 1.00 33.23 H new ATOM 802 N LYS A 49 8.587 -7.510 13.036 1.00 53.42 N ATOM 803 CA LYS A 49 9.678 -8.011 13.897 1.00 25.13 C ATOM 804 C LYS A 49 10.749 -6.906 14.100 1.00 70.12 C ATOM 805 O LYS A 49 11.351 -6.786 15.175 1.00 72.12 O ATOM 806 CB LYS A 49 10.267 -9.310 13.239 1.00 0.41 C ATOM 807 CG LYS A 49 11.032 -10.275 14.189 1.00 73.22 C ATOM 808 CD LYS A 49 12.470 -9.816 14.531 1.00 0.51 C ATOM 809 CE LYS A 49 13.171 -10.754 15.523 1.00 64.31 C ATOM 810 NZ LYS A 49 14.554 -10.297 15.832 1.00 44.32 N ATOM 0 H LYS A 49 8.563 -7.954 12.118 1.00 53.42 H new ATOM 0 HA LYS A 49 9.306 -8.266 14.889 1.00 25.13 H new ATOM 0 HB2 LYS A 49 9.448 -9.862 12.777 1.00 0.41 H new ATOM 0 HB3 LYS A 49 10.942 -9.012 12.437 1.00 0.41 H new ATOM 0 HG2 LYS A 49 10.466 -10.381 15.115 1.00 73.22 H new ATOM 0 HG3 LYS A 49 11.077 -11.262 13.728 1.00 73.22 H new ATOM 0 HD2 LYS A 49 13.057 -9.760 13.614 1.00 0.51 H new ATOM 0 HD3 LYS A 49 12.436 -8.810 14.950 1.00 0.51 H new ATOM 0 HE2 LYS A 49 12.591 -10.808 16.445 1.00 64.31 H new ATOM 0 HE3 LYS A 49 13.205 -11.762 15.109 1.00 64.31 H new ATOM 0 HZ1 LYS A 49 14.995 -10.956 16.505 1.00 44.32 H new ATOM 0 HZ2 LYS A 49 15.114 -10.270 14.956 1.00 44.32 H new ATOM 0 HZ3 LYS A 49 14.520 -9.346 16.251 1.00 44.32 H new ATOM 824 N GLN A 50 10.947 -6.095 13.053 1.00 52.12 N ATOM 825 CA GLN A 50 11.926 -4.987 13.034 1.00 64.31 C ATOM 826 C GLN A 50 11.275 -3.670 13.513 1.00 14.31 C ATOM 827 O GLN A 50 11.983 -2.696 13.794 1.00 45.02 O ATOM 828 CB GLN A 50 12.510 -4.849 11.596 1.00 14.14 C ATOM 829 CG GLN A 50 13.296 -6.105 11.133 1.00 44.21 C ATOM 830 CD GLN A 50 13.644 -6.128 9.636 1.00 21.31 C ATOM 831 OE1 GLN A 50 13.829 -5.092 9.002 1.00 44.22 O ATOM 832 NE2 GLN A 50 13.735 -7.322 9.058 1.00 32.23 N ATOM 0 H GLN A 50 10.427 -6.187 12.180 1.00 52.12 H new ATOM 0 HA GLN A 50 12.741 -5.207 13.724 1.00 64.31 H new ATOM 0 HB2 GLN A 50 11.696 -4.659 10.897 1.00 14.14 H new ATOM 0 HB3 GLN A 50 13.169 -3.982 11.560 1.00 14.14 H new ATOM 0 HG2 GLN A 50 14.220 -6.172 11.708 1.00 44.21 H new ATOM 0 HG3 GLN A 50 12.709 -6.992 11.369 1.00 44.21 H new ATOM 0 HE21 GLN A 50 13.577 -8.167 9.606 1.00 32.23 H new ATOM 0 HE22 GLN A 50 13.963 -7.392 8.066 1.00 32.23 H new ATOM 841 N GLY A 51 9.923 -3.663 13.598 1.00 11.22 N ATOM 842 CA GLY A 51 9.158 -2.541 14.156 1.00 41.34 C ATOM 843 C GLY A 51 9.224 -1.273 13.326 1.00 2.15 C ATOM 844 O GLY A 51 9.317 -0.166 13.874 1.00 23.30 O ATOM 0 H GLY A 51 9.340 -4.438 13.280 1.00 11.22 H new ATOM 0 HA2 GLY A 51 8.115 -2.841 14.259 1.00 41.34 H new ATOM 0 HA3 GLY A 51 9.528 -2.326 15.159 1.00 41.34 H new ATOM 848 N ARG A 52 9.175 -1.441 12.000 1.00 72.14 N ATOM 849 CA ARG A 52 9.328 -0.351 11.019 1.00 64.13 C ATOM 850 C ARG A 52 8.326 -0.529 9.850 1.00 51.01 C ATOM 851 O ARG A 52 7.776 -1.623 9.672 1.00 73.42 O ATOM 852 CB ARG A 52 10.805 -0.310 10.515 1.00 51.02 C ATOM 853 CG ARG A 52 11.799 0.356 11.501 1.00 71.51 C ATOM 854 CD ARG A 52 13.218 0.489 10.921 1.00 75.24 C ATOM 855 NE ARG A 52 13.871 -0.822 10.736 1.00 63.33 N ATOM 856 CZ ARG A 52 14.171 -1.395 9.559 1.00 14.10 C ATOM 857 NH1 ARG A 52 13.869 -0.806 8.399 1.00 60.31 N ATOM 858 NH2 ARG A 52 14.775 -2.568 9.558 1.00 3.45 N ATOM 0 H ARG A 52 9.026 -2.352 11.567 1.00 72.14 H new ATOM 0 HA ARG A 52 9.102 0.604 11.494 1.00 64.13 H new ATOM 0 HB2 ARG A 52 11.137 -1.329 10.316 1.00 51.02 H new ATOM 0 HB3 ARG A 52 10.838 0.227 9.567 1.00 51.02 H new ATOM 0 HG2 ARG A 52 11.428 1.345 11.771 1.00 71.51 H new ATOM 0 HG3 ARG A 52 11.840 -0.230 12.419 1.00 71.51 H new ATOM 0 HD2 ARG A 52 13.170 1.007 9.963 1.00 75.24 H new ATOM 0 HD3 ARG A 52 13.824 1.104 11.586 1.00 75.24 H new ATOM 0 HE ARG A 52 14.117 -1.340 11.579 1.00 63.33 H new ATOM 0 HH11 ARG A 52 13.400 0.100 8.394 1.00 60.31 H new ATOM 0 HH12 ARG A 52 14.108 -1.262 7.518 1.00 60.31 H new ATOM 0 HH21 ARG A 52 15.006 -3.024 10.441 1.00 3.45 H new ATOM 0 HH22 ARG A 52 15.011 -3.019 8.674 1.00 3.45 H new ATOM 872 N PRO A 53 8.044 0.563 9.048 1.00 23.51 N ATOM 873 CA PRO A 53 7.084 0.495 7.915 1.00 75.31 C ATOM 874 C PRO A 53 7.563 -0.344 6.712 1.00 0.43 C ATOM 875 O PRO A 53 8.746 -0.695 6.586 1.00 3.51 O ATOM 876 CB PRO A 53 6.908 1.976 7.503 1.00 52.01 C ATOM 877 CG PRO A 53 8.190 2.629 7.914 1.00 0.11 C ATOM 878 CD PRO A 53 8.587 1.951 9.206 1.00 72.05 C ATOM 0 HA PRO A 53 6.166 -0.005 8.224 1.00 75.31 H new ATOM 0 HB2 PRO A 53 6.738 2.073 6.431 1.00 52.01 H new ATOM 0 HB3 PRO A 53 6.052 2.429 8.004 1.00 52.01 H new ATOM 0 HG2 PRO A 53 8.958 2.502 7.151 1.00 0.11 H new ATOM 0 HG3 PRO A 53 8.057 3.701 8.057 1.00 0.11 H new ATOM 0 HD2 PRO A 53 9.668 1.947 9.342 1.00 72.05 H new ATOM 0 HD3 PRO A 53 8.158 2.454 10.073 1.00 72.05 H new ATOM 886 N ILE A 54 6.600 -0.599 5.825 1.00 12.45 N ATOM 887 CA ILE A 54 6.782 -1.335 4.576 1.00 64.44 C ATOM 888 C ILE A 54 5.681 -0.895 3.596 1.00 10.13 C ATOM 889 O ILE A 54 4.541 -0.683 4.003 1.00 72.52 O ATOM 890 CB ILE A 54 6.721 -2.892 4.812 1.00 3.35 C ATOM 891 CG1 ILE A 54 6.914 -3.674 3.480 1.00 60.43 C ATOM 892 CG2 ILE A 54 5.408 -3.308 5.521 1.00 35.43 C ATOM 893 CD1 ILE A 54 6.873 -5.175 3.632 1.00 71.11 C ATOM 0 H ILE A 54 5.639 -0.287 5.963 1.00 12.45 H new ATOM 0 HA ILE A 54 7.767 -1.113 4.164 1.00 64.44 H new ATOM 0 HB ILE A 54 7.547 -3.154 5.473 1.00 3.35 H new ATOM 0 HG12 ILE A 54 6.138 -3.370 2.778 1.00 60.43 H new ATOM 0 HG13 ILE A 54 7.870 -3.391 3.041 1.00 60.43 H new ATOM 0 HG21 ILE A 54 5.400 -4.388 5.668 1.00 35.43 H new ATOM 0 HG22 ILE A 54 5.343 -2.810 6.488 1.00 35.43 H new ATOM 0 HG23 ILE A 54 4.555 -3.019 4.907 1.00 35.43 H new ATOM 0 HD11 ILE A 54 7.015 -5.643 2.658 1.00 71.11 H new ATOM 0 HD12 ILE A 54 7.667 -5.494 4.308 1.00 71.11 H new ATOM 0 HD13 ILE A 54 5.907 -5.473 4.040 1.00 71.11 H new ATOM 905 N VAL A 55 6.029 -0.724 2.315 1.00 11.52 N ATOM 906 CA VAL A 55 5.077 -0.358 1.261 1.00 61.44 C ATOM 907 C VAL A 55 5.021 -1.487 0.219 1.00 34.24 C ATOM 908 O VAL A 55 6.028 -1.807 -0.415 1.00 30.42 O ATOM 909 CB VAL A 55 5.462 0.996 0.561 1.00 50.44 C ATOM 910 CG1 VAL A 55 4.383 1.406 -0.468 1.00 12.11 C ATOM 911 CG2 VAL A 55 5.695 2.123 1.594 1.00 13.25 C ATOM 0 H VAL A 55 6.986 -0.837 1.979 1.00 11.52 H new ATOM 0 HA VAL A 55 4.099 -0.218 1.722 1.00 61.44 H new ATOM 0 HB VAL A 55 6.401 0.839 0.030 1.00 50.44 H new ATOM 0 HG11 VAL A 55 4.669 2.346 -0.941 1.00 12.11 H new ATOM 0 HG12 VAL A 55 4.292 0.630 -1.228 1.00 12.11 H new ATOM 0 HG13 VAL A 55 3.426 1.532 0.039 1.00 12.11 H new ATOM 0 HG21 VAL A 55 5.959 3.044 1.074 1.00 13.25 H new ATOM 0 HG22 VAL A 55 4.784 2.281 2.172 1.00 13.25 H new ATOM 0 HG23 VAL A 55 6.506 1.840 2.265 1.00 13.25 H new ATOM 921 N VAL A 56 3.839 -2.098 0.071 1.00 31.22 N ATOM 922 CA VAL A 56 3.586 -3.152 -0.918 1.00 60.23 C ATOM 923 C VAL A 56 2.830 -2.542 -2.104 1.00 41.01 C ATOM 924 O VAL A 56 1.844 -1.828 -1.917 1.00 12.23 O ATOM 925 CB VAL A 56 2.751 -4.325 -0.299 1.00 45.45 C ATOM 926 CG1 VAL A 56 2.519 -5.464 -1.325 1.00 72.22 C ATOM 927 CG2 VAL A 56 3.431 -4.859 0.989 1.00 12.35 C ATOM 0 H VAL A 56 3.024 -1.872 0.640 1.00 31.22 H new ATOM 0 HA VAL A 56 4.540 -3.563 -1.248 1.00 60.23 H new ATOM 0 HB VAL A 56 1.771 -3.931 -0.029 1.00 45.45 H new ATOM 0 HG11 VAL A 56 1.937 -6.259 -0.860 1.00 72.22 H new ATOM 0 HG12 VAL A 56 1.977 -5.073 -2.186 1.00 72.22 H new ATOM 0 HG13 VAL A 56 3.480 -5.861 -1.651 1.00 72.22 H new ATOM 0 HG21 VAL A 56 2.836 -5.673 1.404 1.00 12.35 H new ATOM 0 HG22 VAL A 56 4.429 -5.225 0.748 1.00 12.35 H new ATOM 0 HG23 VAL A 56 3.506 -4.055 1.721 1.00 12.35 H new ATOM 937 N PHE A 57 3.304 -2.836 -3.311 1.00 63.53 N ATOM 938 CA PHE A 57 2.743 -2.321 -4.553 1.00 60.21 C ATOM 939 C PHE A 57 1.932 -3.421 -5.233 1.00 24.14 C ATOM 940 O PHE A 57 2.469 -4.449 -5.645 1.00 3.43 O ATOM 941 CB PHE A 57 3.879 -1.794 -5.455 1.00 73.34 C ATOM 942 CG PHE A 57 4.541 -0.561 -4.856 1.00 73.23 C ATOM 943 CD1 PHE A 57 3.905 0.678 -4.924 1.00 32.11 C ATOM 944 CD2 PHE A 57 5.766 -0.641 -4.192 1.00 21.41 C ATOM 945 CE1 PHE A 57 4.470 1.797 -4.351 1.00 62.20 C ATOM 946 CE2 PHE A 57 6.331 0.481 -3.627 1.00 5.51 C ATOM 947 CZ PHE A 57 5.683 1.699 -3.706 1.00 52.42 C ATOM 0 H PHE A 57 4.105 -3.451 -3.455 1.00 63.53 H new ATOM 0 HA PHE A 57 2.071 -1.487 -4.351 1.00 60.21 H new ATOM 0 HB2 PHE A 57 4.625 -2.576 -5.597 1.00 73.34 H new ATOM 0 HB3 PHE A 57 3.480 -1.552 -6.440 1.00 73.34 H new ATOM 0 HD1 PHE A 57 2.956 0.762 -5.433 1.00 32.11 H new ATOM 0 HD2 PHE A 57 6.275 -1.591 -4.121 1.00 21.41 H new ATOM 0 HE1 PHE A 57 3.963 2.749 -4.408 1.00 62.20 H new ATOM 0 HE2 PHE A 57 7.282 0.409 -3.121 1.00 5.51 H new ATOM 0 HZ PHE A 57 6.129 2.576 -3.261 1.00 52.42 H new ATOM 957 N VAL A 58 0.621 -3.194 -5.256 1.00 32.22 N ATOM 958 CA VAL A 58 -0.394 -4.066 -5.854 1.00 24.05 C ATOM 959 C VAL A 58 -0.977 -3.343 -7.090 1.00 51.13 C ATOM 960 O VAL A 58 -0.897 -2.118 -7.167 1.00 42.35 O ATOM 961 CB VAL A 58 -1.524 -4.367 -4.797 1.00 14.43 C ATOM 962 CG1 VAL A 58 -2.599 -5.313 -5.366 1.00 44.32 C ATOM 963 CG2 VAL A 58 -0.931 -4.939 -3.482 1.00 72.43 C ATOM 0 H VAL A 58 0.215 -2.357 -4.838 1.00 32.22 H new ATOM 0 HA VAL A 58 0.044 -5.017 -6.158 1.00 24.05 H new ATOM 0 HB VAL A 58 -2.006 -3.417 -4.566 1.00 14.43 H new ATOM 0 HG11 VAL A 58 -3.360 -5.497 -4.608 1.00 44.32 H new ATOM 0 HG12 VAL A 58 -3.061 -4.855 -6.241 1.00 44.32 H new ATOM 0 HG13 VAL A 58 -2.137 -6.258 -5.653 1.00 44.32 H new ATOM 0 HG21 VAL A 58 -1.737 -5.135 -2.775 1.00 72.43 H new ATOM 0 HG22 VAL A 58 -0.401 -5.867 -3.695 1.00 72.43 H new ATOM 0 HG23 VAL A 58 -0.238 -4.217 -3.051 1.00 72.43 H new ATOM 973 N ARG A 59 -1.487 -4.083 -8.087 1.00 20.31 N ATOM 974 CA ARG A 59 -2.219 -3.475 -9.227 1.00 41.43 C ATOM 975 C ARG A 59 -3.732 -3.395 -8.921 1.00 75.43 C ATOM 976 O ARG A 59 -4.227 -4.043 -7.986 1.00 63.15 O ATOM 977 CB ARG A 59 -1.995 -4.277 -10.527 1.00 71.23 C ATOM 978 CG ARG A 59 -0.528 -4.388 -10.986 1.00 24.32 C ATOM 979 CD ARG A 59 -0.405 -5.119 -12.332 1.00 2.14 C ATOM 980 NE ARG A 59 -1.173 -6.375 -12.323 1.00 71.15 N ATOM 981 CZ ARG A 59 -1.674 -7.003 -13.392 1.00 31.14 C ATOM 982 NH1 ARG A 59 -1.504 -6.526 -14.623 1.00 12.31 N ATOM 983 NH2 ARG A 59 -2.414 -8.084 -13.208 1.00 0.34 N ATOM 0 H ARG A 59 -1.411 -5.099 -8.134 1.00 20.31 H new ATOM 0 HA ARG A 59 -1.828 -2.468 -9.369 1.00 41.43 H new ATOM 0 HB2 ARG A 59 -2.392 -5.282 -10.387 1.00 71.23 H new ATOM 0 HB3 ARG A 59 -2.574 -3.813 -11.325 1.00 71.23 H new ATOM 0 HG2 ARG A 59 -0.098 -3.390 -11.074 1.00 24.32 H new ATOM 0 HG3 ARG A 59 0.050 -4.919 -10.230 1.00 24.32 H new ATOM 0 HD2 ARG A 59 -0.765 -4.474 -13.134 1.00 2.14 H new ATOM 0 HD3 ARG A 59 0.644 -5.331 -12.540 1.00 2.14 H new ATOM 0 HE ARG A 59 -1.339 -6.808 -11.414 1.00 71.15 H new ATOM 0 HH11 ARG A 59 -0.981 -5.662 -14.768 1.00 12.31 H new ATOM 0 HH12 ARG A 59 -1.896 -7.024 -15.422 1.00 12.31 H new ATOM 0 HH21 ARG A 59 -2.593 -8.424 -12.263 1.00 0.34 H new ATOM 0 HH22 ARG A 59 -2.805 -8.577 -14.011 1.00 0.34 H new ATOM 997 N GLY A 60 -4.459 -2.614 -9.751 1.00 21.24 N ATOM 998 CA GLY A 60 -5.914 -2.463 -9.657 1.00 1.13 C ATOM 999 C GLY A 60 -6.627 -3.613 -10.361 1.00 22.13 C ATOM 1000 O GLY A 60 -7.317 -3.424 -11.368 1.00 15.51 O ATOM 0 H GLY A 60 -4.043 -2.071 -10.507 1.00 21.24 H new ATOM 0 HA2 GLY A 60 -6.213 -2.431 -8.609 1.00 1.13 H new ATOM 0 HA3 GLY A 60 -6.215 -1.515 -10.104 1.00 1.13 H new ATOM 1004 N GLY A 61 -6.436 -4.808 -9.806 1.00 61.32 N ATOM 1005 CA GLY A 61 -6.885 -6.067 -10.398 1.00 4.10 C ATOM 1006 C GLY A 61 -6.478 -7.216 -9.495 1.00 65.13 C ATOM 1007 O GLY A 61 -7.219 -8.183 -9.318 1.00 44.45 O ATOM 0 H GLY A 61 -5.955 -4.931 -8.915 1.00 61.32 H new ATOM 0 HA2 GLY A 61 -7.967 -6.056 -10.527 1.00 4.10 H new ATOM 0 HA3 GLY A 61 -6.447 -6.194 -11.388 1.00 4.10 H new ATOM 1011 N ASP A 62 -5.294 -7.061 -8.872 1.00 43.33 N ATOM 1012 CA ASP A 62 -4.778 -7.958 -7.812 1.00 65.21 C ATOM 1013 C ASP A 62 -5.379 -7.587 -6.432 1.00 51.45 C ATOM 1014 O ASP A 62 -4.787 -7.889 -5.387 1.00 14.44 O ATOM 1015 CB ASP A 62 -3.228 -7.862 -7.778 1.00 64.42 C ATOM 1016 CG ASP A 62 -2.552 -8.355 -9.061 1.00 24.13 C ATOM 1017 OD1 ASP A 62 -2.647 -7.661 -10.096 1.00 61.33 O ATOM 1018 OD2 ASP A 62 -1.920 -9.431 -9.046 1.00 32.33 O ATOM 0 H ASP A 62 -4.656 -6.297 -9.093 1.00 43.33 H new ATOM 0 HA ASP A 62 -5.074 -8.983 -8.034 1.00 65.21 H new ATOM 0 HB2 ASP A 62 -2.941 -6.825 -7.602 1.00 64.42 H new ATOM 0 HB3 ASP A 62 -2.855 -8.444 -6.935 1.00 64.42 H new ATOM 1023 N ASP A 63 -6.572 -6.956 -6.451 1.00 14.03 N ATOM 1024 CA ASP A 63 -7.313 -6.513 -5.254 1.00 62.13 C ATOM 1025 C ASP A 63 -7.640 -7.700 -4.326 1.00 24.43 C ATOM 1026 O ASP A 63 -7.613 -7.559 -3.095 1.00 24.20 O ATOM 1027 CB ASP A 63 -8.619 -5.800 -5.701 1.00 11.32 C ATOM 1028 CG ASP A 63 -9.468 -5.270 -4.527 1.00 5.23 C ATOM 1029 OD1 ASP A 63 -10.313 -6.031 -3.993 1.00 62.12 O ATOM 1030 OD2 ASP A 63 -9.292 -4.099 -4.129 1.00 74.52 O ATOM 0 H ASP A 63 -7.057 -6.736 -7.321 1.00 14.03 H new ATOM 0 HA ASP A 63 -6.688 -5.820 -4.690 1.00 62.13 H new ATOM 0 HB2 ASP A 63 -8.362 -4.968 -6.357 1.00 11.32 H new ATOM 0 HB3 ASP A 63 -9.220 -6.495 -6.288 1.00 11.32 H new ATOM 1035 N GLU A 64 -7.941 -8.860 -4.942 1.00 64.13 N ATOM 1036 CA GLU A 64 -8.264 -10.114 -4.224 1.00 55.13 C ATOM 1037 C GLU A 64 -7.072 -10.602 -3.387 1.00 65.21 C ATOM 1038 O GLU A 64 -7.240 -11.216 -2.335 1.00 2.02 O ATOM 1039 CB GLU A 64 -8.699 -11.199 -5.238 1.00 23.34 C ATOM 1040 CG GLU A 64 -9.981 -10.844 -6.009 1.00 35.32 C ATOM 1041 CD GLU A 64 -10.262 -11.831 -7.153 1.00 75.13 C ATOM 1042 OE1 GLU A 64 -9.675 -11.655 -8.245 1.00 62.33 O ATOM 1043 OE2 GLU A 64 -11.033 -12.800 -6.957 1.00 35.32 O ATOM 0 H GLU A 64 -7.968 -8.956 -5.957 1.00 64.13 H new ATOM 0 HA GLU A 64 -9.087 -9.916 -3.537 1.00 55.13 H new ATOM 0 HB2 GLU A 64 -7.891 -11.363 -5.950 1.00 23.34 H new ATOM 0 HB3 GLU A 64 -8.853 -12.139 -4.708 1.00 23.34 H new ATOM 0 HG2 GLU A 64 -10.827 -10.837 -5.321 1.00 35.32 H new ATOM 0 HG3 GLU A 64 -9.892 -9.836 -6.414 1.00 35.32 H new ATOM 1050 N ARG A 65 -5.865 -10.333 -3.883 1.00 0.21 N ATOM 1051 CA ARG A 65 -4.617 -10.627 -3.172 1.00 71.45 C ATOM 1052 C ARG A 65 -4.354 -9.546 -2.101 1.00 23.42 C ATOM 1053 O ARG A 65 -3.928 -9.863 -0.992 1.00 32.43 O ATOM 1054 CB ARG A 65 -3.457 -10.744 -4.209 1.00 21.41 C ATOM 1055 CG ARG A 65 -3.696 -11.883 -5.232 1.00 73.02 C ATOM 1056 CD ARG A 65 -2.663 -11.964 -6.374 1.00 61.21 C ATOM 1057 NE ARG A 65 -2.918 -13.156 -7.214 1.00 2.43 N ATOM 1058 CZ ARG A 65 -2.707 -13.255 -8.538 1.00 74.33 C ATOM 1059 NH1 ARG A 65 -2.214 -12.243 -9.244 1.00 30.44 N ATOM 1060 NH2 ARG A 65 -3.024 -14.382 -9.161 1.00 43.12 N ATOM 0 H ARG A 65 -5.722 -9.902 -4.796 1.00 0.21 H new ATOM 0 HA ARG A 65 -4.689 -11.579 -2.646 1.00 71.45 H new ATOM 0 HB2 ARG A 65 -3.350 -9.798 -4.740 1.00 21.41 H new ATOM 0 HB3 ARG A 65 -2.519 -10.922 -3.683 1.00 21.41 H new ATOM 0 HG2 ARG A 65 -3.701 -12.834 -4.699 1.00 73.02 H new ATOM 0 HG3 ARG A 65 -4.687 -11.757 -5.668 1.00 73.02 H new ATOM 0 HD2 ARG A 65 -2.715 -11.063 -6.985 1.00 61.21 H new ATOM 0 HD3 ARG A 65 -1.656 -12.011 -5.960 1.00 61.21 H new ATOM 0 HE ARG A 65 -3.289 -13.981 -6.743 1.00 2.43 H new ATOM 0 HH11 ARG A 65 -1.985 -11.363 -8.782 1.00 30.44 H new ATOM 0 HH12 ARG A 65 -2.064 -12.347 -10.248 1.00 30.44 H new ATOM 0 HH21 ARG A 65 -3.423 -15.160 -8.636 1.00 43.12 H new ATOM 0 HH22 ARG A 65 -2.869 -14.471 -10.165 1.00 43.12 H new ATOM 1074 N ALA A 66 -4.689 -8.278 -2.435 1.00 53.13 N ATOM 1075 CA ALA A 66 -4.423 -7.100 -1.573 1.00 51.51 C ATOM 1076 C ALA A 66 -5.256 -7.107 -0.277 1.00 54.31 C ATOM 1077 O ALA A 66 -4.773 -6.662 0.762 1.00 60.34 O ATOM 1078 CB ALA A 66 -4.696 -5.804 -2.346 1.00 10.53 C ATOM 0 H ALA A 66 -5.153 -8.041 -3.312 1.00 53.13 H new ATOM 0 HA ALA A 66 -3.372 -7.155 -1.288 1.00 51.51 H new ATOM 0 HB1 ALA A 66 -4.497 -4.947 -1.702 1.00 10.53 H new ATOM 0 HB2 ALA A 66 -4.047 -5.759 -3.221 1.00 10.53 H new ATOM 0 HB3 ALA A 66 -5.738 -5.783 -2.665 1.00 10.53 H new ATOM 1084 N LYS A 67 -6.514 -7.589 -0.365 1.00 52.54 N ATOM 1085 CA LYS A 67 -7.433 -7.671 0.799 1.00 10.23 C ATOM 1086 C LYS A 67 -6.940 -8.713 1.823 1.00 41.25 C ATOM 1087 O LYS A 67 -7.095 -8.517 3.030 1.00 72.45 O ATOM 1088 CB LYS A 67 -8.892 -7.991 0.340 1.00 12.42 C ATOM 1089 CG LYS A 67 -9.007 -9.185 -0.629 1.00 73.32 C ATOM 1090 CD LYS A 67 -10.449 -9.481 -1.110 1.00 13.13 C ATOM 1091 CE LYS A 67 -11.282 -10.263 -0.082 1.00 22.44 C ATOM 1092 NZ LYS A 67 -10.675 -11.589 0.239 1.00 30.54 N ATOM 0 H LYS A 67 -6.922 -7.930 -1.235 1.00 52.54 H new ATOM 0 HA LYS A 67 -7.439 -6.696 1.287 1.00 10.23 H new ATOM 0 HB2 LYS A 67 -9.501 -8.194 1.221 1.00 12.42 H new ATOM 0 HB3 LYS A 67 -9.311 -7.107 -0.141 1.00 12.42 H new ATOM 0 HG2 LYS A 67 -8.379 -8.993 -1.499 1.00 73.32 H new ATOM 0 HG3 LYS A 67 -8.610 -10.074 -0.139 1.00 73.32 H new ATOM 0 HD2 LYS A 67 -10.951 -8.540 -1.334 1.00 13.13 H new ATOM 0 HD3 LYS A 67 -10.406 -10.048 -2.040 1.00 13.13 H new ATOM 0 HE2 LYS A 67 -11.374 -9.676 0.832 1.00 22.44 H new ATOM 0 HE3 LYS A 67 -12.290 -10.410 -0.469 1.00 22.44 H new ATOM 0 HZ1 LYS A 67 -11.364 -12.343 0.042 1.00 30.54 H new ATOM 0 HZ2 LYS A 67 -9.827 -11.733 -0.346 1.00 30.54 H new ATOM 0 HZ3 LYS A 67 -10.411 -11.616 1.245 1.00 30.54 H new ATOM 1106 N ASP A 68 -6.361 -9.813 1.319 1.00 64.41 N ATOM 1107 CA ASP A 68 -5.783 -10.894 2.148 1.00 70.45 C ATOM 1108 C ASP A 68 -4.446 -10.458 2.777 1.00 14.40 C ATOM 1109 O ASP A 68 -4.140 -10.826 3.918 1.00 0.23 O ATOM 1110 CB ASP A 68 -5.613 -12.175 1.286 1.00 5.21 C ATOM 1111 CG ASP A 68 -6.956 -12.883 1.024 1.00 34.41 C ATOM 1112 OD1 ASP A 68 -7.821 -12.318 0.318 1.00 10.24 O ATOM 1113 OD2 ASP A 68 -7.162 -14.008 1.529 1.00 70.44 O ATOM 0 H ASP A 68 -6.278 -9.984 0.317 1.00 64.41 H new ATOM 0 HA ASP A 68 -6.465 -11.113 2.970 1.00 70.45 H new ATOM 0 HB2 ASP A 68 -5.151 -11.912 0.334 1.00 5.21 H new ATOM 0 HB3 ASP A 68 -4.934 -12.863 1.790 1.00 5.21 H new ATOM 1118 N ILE A 69 -3.665 -9.680 2.007 1.00 41.14 N ATOM 1119 CA ILE A 69 -2.422 -9.035 2.480 1.00 21.00 C ATOM 1120 C ILE A 69 -2.748 -8.026 3.604 1.00 75.14 C ATOM 1121 O ILE A 69 -2.048 -7.957 4.622 1.00 63.02 O ATOM 1122 CB ILE A 69 -1.687 -8.310 1.278 1.00 44.04 C ATOM 1123 CG1 ILE A 69 -1.108 -9.357 0.265 1.00 74.04 C ATOM 1124 CG2 ILE A 69 -0.588 -7.342 1.764 1.00 52.04 C ATOM 1125 CD1 ILE A 69 -0.548 -8.762 -1.026 1.00 34.40 C ATOM 0 H ILE A 69 -3.878 -9.478 1.030 1.00 41.14 H new ATOM 0 HA ILE A 69 -1.755 -9.800 2.878 1.00 21.00 H new ATOM 0 HB ILE A 69 -2.434 -7.708 0.761 1.00 44.04 H new ATOM 0 HG12 ILE A 69 -0.318 -9.921 0.760 1.00 74.04 H new ATOM 0 HG13 ILE A 69 -1.895 -10.067 0.009 1.00 74.04 H new ATOM 0 HG21 ILE A 69 -0.113 -6.869 0.904 1.00 52.04 H new ATOM 0 HG22 ILE A 69 -1.033 -6.576 2.399 1.00 52.04 H new ATOM 0 HG23 ILE A 69 0.159 -7.896 2.332 1.00 52.04 H new ATOM 0 HD11 ILE A 69 -0.171 -9.563 -1.662 1.00 34.40 H new ATOM 0 HD12 ILE A 69 -1.337 -8.223 -1.550 1.00 34.40 H new ATOM 0 HD13 ILE A 69 0.264 -8.075 -0.788 1.00 34.40 H new ATOM 1137 N ALA A 70 -3.845 -7.276 3.395 1.00 2.52 N ATOM 1138 CA ALA A 70 -4.338 -6.255 4.332 1.00 32.31 C ATOM 1139 C ALA A 70 -4.802 -6.896 5.640 1.00 54.24 C ATOM 1140 O ALA A 70 -4.528 -6.381 6.726 1.00 70.04 O ATOM 1141 CB ALA A 70 -5.490 -5.470 3.683 1.00 43.55 C ATOM 0 H ALA A 70 -4.421 -7.365 2.558 1.00 2.52 H new ATOM 0 HA ALA A 70 -3.523 -5.570 4.563 1.00 32.31 H new ATOM 0 HB1 ALA A 70 -5.853 -4.714 4.380 1.00 43.55 H new ATOM 0 HB2 ALA A 70 -5.133 -4.985 2.775 1.00 43.55 H new ATOM 0 HB3 ALA A 70 -6.301 -6.154 3.434 1.00 43.55 H new ATOM 1147 N GLU A 71 -5.519 -8.024 5.501 1.00 64.11 N ATOM 1148 CA GLU A 71 -6.103 -8.767 6.624 1.00 73.34 C ATOM 1149 C GLU A 71 -4.999 -9.426 7.467 1.00 30.35 C ATOM 1150 O GLU A 71 -5.097 -9.464 8.697 1.00 74.21 O ATOM 1151 CB GLU A 71 -7.103 -9.816 6.084 1.00 53.35 C ATOM 1152 CG GLU A 71 -7.877 -10.581 7.172 1.00 2.21 C ATOM 1153 CD GLU A 71 -8.928 -11.552 6.605 1.00 13.12 C ATOM 1154 OE1 GLU A 71 -9.878 -11.079 5.947 1.00 11.40 O ATOM 1155 OE2 GLU A 71 -8.822 -12.779 6.835 1.00 62.05 O ATOM 0 H GLU A 71 -5.710 -8.448 4.593 1.00 64.11 H new ATOM 0 HA GLU A 71 -6.642 -8.077 7.274 1.00 73.34 H new ATOM 0 HB2 GLU A 71 -7.818 -9.315 5.432 1.00 53.35 H new ATOM 0 HB3 GLU A 71 -6.560 -10.534 5.470 1.00 53.35 H new ATOM 0 HG2 GLU A 71 -7.170 -11.140 7.786 1.00 2.21 H new ATOM 0 HG3 GLU A 71 -8.371 -9.864 7.828 1.00 2.21 H new ATOM 1162 N TYR A 72 -3.939 -9.914 6.788 1.00 52.33 N ATOM 1163 CA TYR A 72 -2.754 -10.479 7.454 1.00 63.44 C ATOM 1164 C TYR A 72 -2.066 -9.389 8.295 1.00 31.31 C ATOM 1165 O TYR A 72 -1.808 -9.587 9.479 1.00 75.33 O ATOM 1166 CB TYR A 72 -1.754 -11.092 6.428 1.00 61.35 C ATOM 1167 CG TYR A 72 -0.497 -11.680 7.094 1.00 20.33 C ATOM 1168 CD1 TYR A 72 -0.545 -12.904 7.768 1.00 43.13 C ATOM 1169 CD2 TYR A 72 0.726 -10.996 7.093 1.00 62.54 C ATOM 1170 CE1 TYR A 72 0.565 -13.416 8.411 1.00 14.34 C ATOM 1171 CE2 TYR A 72 1.837 -11.513 7.729 1.00 10.42 C ATOM 1172 CZ TYR A 72 1.750 -12.720 8.389 1.00 23.11 C ATOM 1173 OH TYR A 72 2.851 -13.218 9.056 1.00 32.24 O ATOM 0 H TYR A 72 -3.884 -9.926 5.770 1.00 52.33 H new ATOM 0 HA TYR A 72 -3.082 -11.288 8.107 1.00 63.44 H new ATOM 0 HB2 TYR A 72 -2.258 -11.874 5.860 1.00 61.35 H new ATOM 0 HB3 TYR A 72 -1.455 -10.323 5.715 1.00 61.35 H new ATOM 0 HD1 TYR A 72 -1.470 -13.461 7.786 1.00 43.13 H new ATOM 0 HD2 TYR A 72 0.801 -10.046 6.585 1.00 62.54 H new ATOM 0 HE1 TYR A 72 0.502 -14.361 8.930 1.00 14.34 H new ATOM 0 HE2 TYR A 72 2.772 -10.973 7.709 1.00 10.42 H new ATOM 0 HH TYR A 72 2.809 -14.197 9.071 1.00 32.24 H new ATOM 1183 N ALA A 73 -1.814 -8.231 7.654 1.00 50.24 N ATOM 1184 CA ALA A 73 -1.184 -7.062 8.291 1.00 11.15 C ATOM 1185 C ALA A 73 -2.014 -6.546 9.489 1.00 45.21 C ATOM 1186 O ALA A 73 -1.458 -6.039 10.474 1.00 12.21 O ATOM 1187 CB ALA A 73 -0.997 -5.960 7.245 1.00 52.21 C ATOM 0 H ALA A 73 -2.045 -8.081 6.672 1.00 50.24 H new ATOM 0 HA ALA A 73 -0.213 -7.362 8.684 1.00 11.15 H new ATOM 0 HB1 ALA A 73 -0.531 -5.092 7.711 1.00 52.21 H new ATOM 0 HB2 ALA A 73 -0.359 -6.326 6.441 1.00 52.21 H new ATOM 0 HB3 ALA A 73 -1.968 -5.676 6.838 1.00 52.21 H new ATOM 1193 N GLN A 74 -3.351 -6.692 9.379 1.00 14.44 N ATOM 1194 CA GLN A 74 -4.298 -6.348 10.448 1.00 10.05 C ATOM 1195 C GLN A 74 -4.101 -7.288 11.652 1.00 30.30 C ATOM 1196 O GLN A 74 -4.088 -6.836 12.801 1.00 22.23 O ATOM 1197 CB GLN A 74 -5.755 -6.446 9.930 1.00 53.33 C ATOM 1198 CG GLN A 74 -6.820 -5.919 10.906 1.00 73.43 C ATOM 1199 CD GLN A 74 -8.244 -6.313 10.514 1.00 32.03 C ATOM 1200 OE1 GLN A 74 -8.751 -7.354 10.928 1.00 61.53 O ATOM 1201 NE2 GLN A 74 -8.895 -5.503 9.701 1.00 23.22 N ATOM 0 H GLN A 74 -3.802 -7.055 8.539 1.00 14.44 H new ATOM 0 HA GLN A 74 -4.108 -5.322 10.765 1.00 10.05 H new ATOM 0 HB2 GLN A 74 -5.832 -5.891 8.995 1.00 53.33 H new ATOM 0 HB3 GLN A 74 -5.976 -7.489 9.701 1.00 53.33 H new ATOM 0 HG2 GLN A 74 -6.607 -6.298 11.905 1.00 73.43 H new ATOM 0 HG3 GLN A 74 -6.751 -4.832 10.956 1.00 73.43 H new ATOM 0 HE21 GLN A 74 -8.451 -4.645 9.372 1.00 23.22 H new ATOM 0 HE22 GLN A 74 -9.842 -5.734 9.401 1.00 23.22 H new ATOM 1210 N LYS A 75 -3.945 -8.598 11.354 1.00 61.52 N ATOM 1211 CA LYS A 75 -3.679 -9.650 12.362 1.00 72.35 C ATOM 1212 C LYS A 75 -2.350 -9.389 13.101 1.00 51.05 C ATOM 1213 O LYS A 75 -2.224 -9.700 14.293 1.00 41.25 O ATOM 1214 CB LYS A 75 -3.668 -11.076 11.701 1.00 20.54 C ATOM 1215 CG LYS A 75 -4.965 -11.933 11.823 1.00 13.25 C ATOM 1216 CD LYS A 75 -6.147 -11.509 10.906 1.00 40.21 C ATOM 1217 CE LYS A 75 -6.974 -10.334 11.447 1.00 72.35 C ATOM 1218 NZ LYS A 75 -8.136 -10.034 10.577 1.00 3.25 N ATOM 0 H LYS A 75 -4.001 -8.957 10.401 1.00 61.52 H new ATOM 0 HA LYS A 75 -4.488 -9.617 13.092 1.00 72.35 H new ATOM 0 HB2 LYS A 75 -3.443 -10.954 10.641 1.00 20.54 H new ATOM 0 HB3 LYS A 75 -2.847 -11.644 12.138 1.00 20.54 H new ATOM 0 HG2 LYS A 75 -4.714 -12.971 11.603 1.00 13.25 H new ATOM 0 HG3 LYS A 75 -5.304 -11.900 12.859 1.00 13.25 H new ATOM 0 HD2 LYS A 75 -5.753 -11.240 9.926 1.00 40.21 H new ATOM 0 HD3 LYS A 75 -6.805 -12.366 10.761 1.00 40.21 H new ATOM 0 HE2 LYS A 75 -7.323 -10.568 12.453 1.00 72.35 H new ATOM 0 HE3 LYS A 75 -6.341 -9.450 11.527 1.00 72.35 H new ATOM 0 HZ1 LYS A 75 -8.215 -9.005 10.446 1.00 3.25 H new ATOM 0 HZ2 LYS A 75 -8.005 -10.492 9.652 1.00 3.25 H new ATOM 0 HZ3 LYS A 75 -9.005 -10.394 11.021 1.00 3.25 H new ATOM 1232 N GLU A 76 -1.369 -8.814 12.383 1.00 40.44 N ATOM 1233 CA GLU A 76 -0.041 -8.495 12.949 1.00 61.44 C ATOM 1234 C GLU A 76 -0.100 -7.291 13.912 1.00 12.45 C ATOM 1235 O GLU A 76 0.853 -7.029 14.654 1.00 73.11 O ATOM 1236 CB GLU A 76 0.973 -8.210 11.807 1.00 60.23 C ATOM 1237 CG GLU A 76 1.099 -9.319 10.749 1.00 41.02 C ATOM 1238 CD GLU A 76 1.280 -10.730 11.337 1.00 55.25 C ATOM 1239 OE1 GLU A 76 2.405 -11.072 11.760 1.00 32.53 O ATOM 1240 OE2 GLU A 76 0.292 -11.499 11.383 1.00 40.42 O ATOM 0 H GLU A 76 -1.470 -8.558 11.401 1.00 40.44 H new ATOM 0 HA GLU A 76 0.288 -9.362 13.521 1.00 61.44 H new ATOM 0 HB2 GLU A 76 0.683 -7.286 11.308 1.00 60.23 H new ATOM 0 HB3 GLU A 76 1.955 -8.039 12.249 1.00 60.23 H new ATOM 0 HG2 GLU A 76 0.208 -9.310 10.121 1.00 41.02 H new ATOM 0 HG3 GLU A 76 1.947 -9.095 10.102 1.00 41.02 H new ATOM 1247 N GLY A 77 -1.230 -6.557 13.878 1.00 44.22 N ATOM 1248 CA GLY A 77 -1.413 -5.356 14.687 1.00 53.13 C ATOM 1249 C GLY A 77 -0.659 -4.168 14.115 1.00 14.34 C ATOM 1250 O GLY A 77 -0.288 -3.242 14.848 1.00 1.42 O ATOM 0 H GLY A 77 -2.031 -6.786 13.290 1.00 44.22 H new ATOM 0 HA2 GLY A 77 -2.475 -5.117 14.747 1.00 53.13 H new ATOM 0 HA3 GLY A 77 -1.071 -5.548 15.704 1.00 53.13 H new ATOM 1254 N LEU A 78 -0.418 -4.212 12.795 1.00 2.33 N ATOM 1255 CA LEU A 78 0.268 -3.141 12.057 1.00 42.52 C ATOM 1256 C LEU A 78 -0.781 -2.237 11.408 1.00 72.33 C ATOM 1257 O LEU A 78 -1.796 -2.736 10.901 1.00 12.23 O ATOM 1258 CB LEU A 78 1.221 -3.734 10.975 1.00 11.13 C ATOM 1259 CG LEU A 78 2.246 -4.805 11.472 1.00 20.41 C ATOM 1260 CD1 LEU A 78 3.251 -5.187 10.369 1.00 51.42 C ATOM 1261 CD2 LEU A 78 2.972 -4.359 12.758 1.00 74.30 C ATOM 0 H LEU A 78 -0.696 -4.997 12.206 1.00 2.33 H new ATOM 0 HA LEU A 78 0.876 -2.559 12.750 1.00 42.52 H new ATOM 0 HB2 LEU A 78 0.612 -4.181 10.189 1.00 11.13 H new ATOM 0 HB3 LEU A 78 1.776 -2.914 10.520 1.00 11.13 H new ATOM 0 HG LEU A 78 1.671 -5.698 11.718 1.00 20.41 H new ATOM 0 HD11 LEU A 78 3.946 -5.933 10.753 1.00 51.42 H new ATOM 0 HD12 LEU A 78 2.714 -5.597 9.514 1.00 51.42 H new ATOM 0 HD13 LEU A 78 3.805 -4.301 10.059 1.00 51.42 H new ATOM 0 HD21 LEU A 78 3.674 -5.134 13.067 1.00 74.30 H new ATOM 0 HD22 LEU A 78 3.514 -3.433 12.567 1.00 74.30 H new ATOM 0 HD23 LEU A 78 2.241 -4.195 13.550 1.00 74.30 H new ATOM 1273 N ARG A 79 -0.546 -0.913 11.450 1.00 62.20 N ATOM 1274 CA ARG A 79 -1.476 0.072 10.883 1.00 20.22 C ATOM 1275 C ARG A 79 -1.456 -0.071 9.346 1.00 24.12 C ATOM 1276 O ARG A 79 -0.420 0.141 8.716 1.00 11.40 O ATOM 1277 CB ARG A 79 -1.098 1.524 11.339 1.00 71.24 C ATOM 1278 CG ARG A 79 -2.289 2.505 11.509 1.00 35.35 C ATOM 1279 CD ARG A 79 -3.096 2.739 10.218 1.00 71.01 C ATOM 1280 NE ARG A 79 -4.325 3.502 10.460 1.00 23.34 N ATOM 1281 CZ ARG A 79 -5.554 2.977 10.549 1.00 2.13 C ATOM 1282 NH1 ARG A 79 -5.751 1.672 10.419 1.00 31.00 N ATOM 1283 NH2 ARG A 79 -6.589 3.773 10.736 1.00 2.30 N ATOM 0 H ARG A 79 0.286 -0.502 11.874 1.00 62.20 H new ATOM 0 HA ARG A 79 -2.487 -0.113 11.246 1.00 20.22 H new ATOM 0 HB2 ARG A 79 -0.565 1.460 12.288 1.00 71.24 H new ATOM 0 HB3 ARG A 79 -0.405 1.945 10.611 1.00 71.24 H new ATOM 0 HG2 ARG A 79 -2.958 2.119 12.278 1.00 35.35 H new ATOM 0 HG3 ARG A 79 -1.910 3.462 11.867 1.00 35.35 H new ATOM 0 HD2 ARG A 79 -2.476 3.272 9.497 1.00 71.01 H new ATOM 0 HD3 ARG A 79 -3.350 1.778 9.772 1.00 71.01 H new ATOM 0 HE ARG A 79 -4.237 4.512 10.569 1.00 23.34 H new ATOM 0 HH11 ARG A 79 -4.960 1.051 10.248 1.00 31.00 H new ATOM 0 HH12 ARG A 79 -6.694 1.289 10.490 1.00 31.00 H new ATOM 0 HH21 ARG A 79 -6.450 4.781 10.812 1.00 2.30 H new ATOM 0 HH22 ARG A 79 -7.528 3.381 10.805 1.00 2.30 H new ATOM 1297 N VAL A 80 -2.590 -0.470 8.760 1.00 21.30 N ATOM 1298 CA VAL A 80 -2.704 -0.681 7.315 1.00 60.21 C ATOM 1299 C VAL A 80 -3.282 0.587 6.657 1.00 62.32 C ATOM 1300 O VAL A 80 -4.306 1.118 7.100 1.00 21.44 O ATOM 1301 CB VAL A 80 -3.608 -1.923 6.979 1.00 45.33 C ATOM 1302 CG1 VAL A 80 -3.553 -2.273 5.469 1.00 11.42 C ATOM 1303 CG2 VAL A 80 -3.244 -3.146 7.856 1.00 53.01 C ATOM 0 H VAL A 80 -3.452 -0.655 9.273 1.00 21.30 H new ATOM 0 HA VAL A 80 -1.708 -0.883 6.920 1.00 60.21 H new ATOM 0 HB VAL A 80 -4.636 -1.648 7.214 1.00 45.33 H new ATOM 0 HG11 VAL A 80 -4.189 -3.136 5.272 1.00 11.42 H new ATOM 0 HG12 VAL A 80 -3.905 -1.422 4.885 1.00 11.42 H new ATOM 0 HG13 VAL A 80 -2.526 -2.507 5.187 1.00 11.42 H new ATOM 0 HG21 VAL A 80 -3.889 -3.985 7.596 1.00 53.01 H new ATOM 0 HG22 VAL A 80 -2.204 -3.421 7.683 1.00 53.01 H new ATOM 0 HG23 VAL A 80 -3.383 -2.894 8.907 1.00 53.01 H new ATOM 1313 N ILE A 81 -2.573 1.086 5.634 1.00 3.11 N ATOM 1314 CA ILE A 81 -3.031 2.180 4.761 1.00 32.31 C ATOM 1315 C ILE A 81 -3.170 1.586 3.360 1.00 40.04 C ATOM 1316 O ILE A 81 -2.338 0.793 2.958 1.00 70.34 O ATOM 1317 CB ILE A 81 -2.037 3.422 4.720 1.00 31.14 C ATOM 1318 CG1 ILE A 81 -1.935 4.151 6.105 1.00 24.33 C ATOM 1319 CG2 ILE A 81 -2.432 4.438 3.613 1.00 63.10 C ATOM 1320 CD1 ILE A 81 -1.096 3.447 7.154 1.00 73.52 C ATOM 0 H ILE A 81 -1.648 0.735 5.385 1.00 3.11 H new ATOM 0 HA ILE A 81 -3.971 2.571 5.150 1.00 32.31 H new ATOM 0 HB ILE A 81 -1.055 3.014 4.483 1.00 31.14 H new ATOM 0 HG12 ILE A 81 -1.521 5.146 5.942 1.00 24.33 H new ATOM 0 HG13 ILE A 81 -2.942 4.285 6.500 1.00 24.33 H new ATOM 0 HG21 ILE A 81 -1.730 5.272 3.617 1.00 63.10 H new ATOM 0 HG22 ILE A 81 -2.405 3.946 2.641 1.00 63.10 H new ATOM 0 HG23 ILE A 81 -3.438 4.811 3.804 1.00 63.10 H new ATOM 0 HD11 ILE A 81 -1.092 4.035 8.072 1.00 73.52 H new ATOM 0 HD12 ILE A 81 -1.517 2.462 7.356 1.00 73.52 H new ATOM 0 HD13 ILE A 81 -0.075 3.337 6.789 1.00 73.52 H new ATOM 1332 N VAL A 82 -4.239 1.938 2.640 1.00 32.51 N ATOM 1333 CA VAL A 82 -4.473 1.470 1.259 1.00 50.32 C ATOM 1334 C VAL A 82 -4.621 2.701 0.355 1.00 5.12 C ATOM 1335 O VAL A 82 -5.396 3.583 0.659 1.00 33.34 O ATOM 1336 CB VAL A 82 -5.751 0.551 1.183 1.00 53.12 C ATOM 1337 CG1 VAL A 82 -6.076 0.131 -0.272 1.00 72.12 C ATOM 1338 CG2 VAL A 82 -5.594 -0.689 2.103 1.00 1.40 C ATOM 0 H VAL A 82 -4.970 2.555 2.993 1.00 32.51 H new ATOM 0 HA VAL A 82 -3.630 0.866 0.924 1.00 50.32 H new ATOM 0 HB VAL A 82 -6.597 1.137 1.542 1.00 53.12 H new ATOM 0 HG11 VAL A 82 -6.964 -0.501 -0.278 1.00 72.12 H new ATOM 0 HG12 VAL A 82 -6.260 1.020 -0.875 1.00 72.12 H new ATOM 0 HG13 VAL A 82 -5.234 -0.422 -0.688 1.00 72.12 H new ATOM 0 HG21 VAL A 82 -6.488 -1.309 2.034 1.00 1.40 H new ATOM 0 HG22 VAL A 82 -4.726 -1.268 1.788 1.00 1.40 H new ATOM 0 HG23 VAL A 82 -5.457 -0.362 3.134 1.00 1.40 H new ATOM 1348 N ILE A 83 -3.828 2.790 -0.723 1.00 2.32 N ATOM 1349 CA ILE A 83 -3.864 3.940 -1.658 1.00 70.30 C ATOM 1350 C ILE A 83 -4.162 3.434 -3.074 1.00 53.54 C ATOM 1351 O ILE A 83 -3.314 2.816 -3.709 1.00 22.51 O ATOM 1352 CB ILE A 83 -2.506 4.741 -1.630 1.00 40.15 C ATOM 1353 CG1 ILE A 83 -2.182 5.197 -0.170 1.00 32.20 C ATOM 1354 CG2 ILE A 83 -2.546 5.953 -2.603 1.00 11.33 C ATOM 1355 CD1 ILE A 83 -0.823 5.831 0.011 1.00 71.21 C ATOM 0 H ILE A 83 -3.146 2.075 -0.976 1.00 2.32 H new ATOM 0 HA ILE A 83 -4.653 4.623 -1.344 1.00 70.30 H new ATOM 0 HB ILE A 83 -1.709 4.080 -1.970 1.00 40.15 H new ATOM 0 HG12 ILE A 83 -2.944 5.907 0.151 1.00 32.20 H new ATOM 0 HG13 ILE A 83 -2.254 4.332 0.490 1.00 32.20 H new ATOM 0 HG21 ILE A 83 -1.596 6.485 -2.561 1.00 11.33 H new ATOM 0 HG22 ILE A 83 -2.719 5.598 -3.619 1.00 11.33 H new ATOM 0 HG23 ILE A 83 -3.352 6.627 -2.312 1.00 11.33 H new ATOM 0 HD11 ILE A 83 -0.690 6.114 1.055 1.00 71.21 H new ATOM 0 HD12 ILE A 83 -0.048 5.119 -0.274 1.00 71.21 H new ATOM 0 HD13 ILE A 83 -0.749 6.718 -0.618 1.00 71.21 H new ATOM 1367 N ILE A 84 -5.391 3.674 -3.539 1.00 71.22 N ATOM 1368 CA ILE A 84 -5.827 3.285 -4.890 1.00 44.43 C ATOM 1369 C ILE A 84 -5.560 4.447 -5.857 1.00 2.13 C ATOM 1370 O ILE A 84 -5.907 5.591 -5.553 1.00 12.23 O ATOM 1371 CB ILE A 84 -7.343 2.899 -4.921 1.00 55.24 C ATOM 1372 CG1 ILE A 84 -7.656 1.853 -3.808 1.00 62.02 C ATOM 1373 CG2 ILE A 84 -7.754 2.363 -6.324 1.00 3.21 C ATOM 1374 CD1 ILE A 84 -9.113 1.513 -3.682 1.00 51.15 C ATOM 0 H ILE A 84 -6.114 4.143 -2.993 1.00 71.22 H new ATOM 0 HA ILE A 84 -5.260 2.405 -5.195 1.00 44.43 H new ATOM 0 HB ILE A 84 -7.931 3.796 -4.726 1.00 55.24 H new ATOM 0 HG12 ILE A 84 -7.097 0.940 -4.014 1.00 62.02 H new ATOM 0 HG13 ILE A 84 -7.299 2.237 -2.852 1.00 62.02 H new ATOM 0 HG21 ILE A 84 -8.812 2.102 -6.318 1.00 3.21 H new ATOM 0 HG22 ILE A 84 -7.574 3.133 -7.075 1.00 3.21 H new ATOM 0 HG23 ILE A 84 -7.164 1.478 -6.563 1.00 3.21 H new ATOM 0 HD11 ILE A 84 -9.248 0.780 -2.887 1.00 51.15 H new ATOM 0 HD12 ILE A 84 -9.678 2.414 -3.444 1.00 51.15 H new ATOM 0 HD13 ILE A 84 -9.472 1.098 -4.624 1.00 51.15 H new ATOM 1386 N VAL A 85 -4.935 4.140 -7.006 1.00 60.34 N ATOM 1387 CA VAL A 85 -4.511 5.138 -8.002 1.00 22.01 C ATOM 1388 C VAL A 85 -5.265 4.887 -9.322 1.00 10.35 C ATOM 1389 O VAL A 85 -4.932 3.954 -10.058 1.00 43.24 O ATOM 1390 CB VAL A 85 -2.949 5.071 -8.247 1.00 62.30 C ATOM 1391 CG1 VAL A 85 -2.453 6.287 -9.071 1.00 22.24 C ATOM 1392 CG2 VAL A 85 -2.179 4.930 -6.910 1.00 73.15 C ATOM 0 H VAL A 85 -4.708 3.182 -7.272 1.00 60.34 H new ATOM 0 HA VAL A 85 -4.747 6.133 -7.625 1.00 22.01 H new ATOM 0 HB VAL A 85 -2.743 4.178 -8.837 1.00 62.30 H new ATOM 0 HG11 VAL A 85 -1.376 6.210 -9.221 1.00 22.24 H new ATOM 0 HG12 VAL A 85 -2.954 6.300 -10.039 1.00 22.24 H new ATOM 0 HG13 VAL A 85 -2.679 7.208 -8.533 1.00 22.24 H new ATOM 0 HG21 VAL A 85 -1.108 4.886 -7.110 1.00 73.15 H new ATOM 0 HG22 VAL A 85 -2.395 5.788 -6.274 1.00 73.15 H new ATOM 0 HG23 VAL A 85 -2.491 4.016 -6.405 1.00 73.15 H new ATOM 1402 N SER A 86 -6.284 5.713 -9.595 1.00 51.33 N ATOM 1403 CA SER A 86 -7.120 5.605 -10.802 1.00 34.41 C ATOM 1404 C SER A 86 -7.878 6.922 -11.032 1.00 20.24 C ATOM 1405 O SER A 86 -8.101 7.700 -10.098 1.00 64.34 O ATOM 1406 CB SER A 86 -8.122 4.421 -10.672 1.00 3.35 C ATOM 1407 OG SER A 86 -8.932 4.278 -11.833 1.00 54.34 O ATOM 0 H SER A 86 -6.555 6.481 -8.981 1.00 51.33 H new ATOM 0 HA SER A 86 -6.474 5.412 -11.658 1.00 34.41 H new ATOM 0 HB2 SER A 86 -7.571 3.497 -10.499 1.00 3.35 H new ATOM 0 HB3 SER A 86 -8.760 4.580 -9.802 1.00 3.35 H new ATOM 0 HG SER A 86 -9.546 3.524 -11.713 1.00 54.34 H new ATOM 1413 N GLN A 87 -8.259 7.158 -12.291 1.00 12.23 N ATOM 1414 CA GLN A 87 -9.084 8.314 -12.687 1.00 62.35 C ATOM 1415 C GLN A 87 -10.580 8.025 -12.432 1.00 43.51 C ATOM 1416 O GLN A 87 -11.382 8.947 -12.246 1.00 70.33 O ATOM 1417 CB GLN A 87 -8.839 8.646 -14.183 1.00 61.22 C ATOM 1418 CG GLN A 87 -9.245 7.530 -15.161 1.00 52.14 C ATOM 1419 CD GLN A 87 -8.943 7.851 -16.623 1.00 64.34 C ATOM 1420 OE1 GLN A 87 -7.862 7.553 -17.130 1.00 75.31 O ATOM 1421 NE2 GLN A 87 -9.885 8.491 -17.305 1.00 13.41 N ATOM 0 H GLN A 87 -8.005 6.552 -13.071 1.00 12.23 H new ATOM 0 HA GLN A 87 -8.798 9.176 -12.084 1.00 62.35 H new ATOM 0 HB2 GLN A 87 -9.391 9.551 -14.436 1.00 61.22 H new ATOM 0 HB3 GLN A 87 -7.781 8.868 -14.324 1.00 61.22 H new ATOM 0 HG2 GLN A 87 -8.726 6.612 -14.886 1.00 52.14 H new ATOM 0 HG3 GLN A 87 -10.312 7.337 -15.054 1.00 52.14 H new ATOM 0 HE21 GLN A 87 -10.771 8.724 -16.856 1.00 13.41 H new ATOM 0 HE22 GLN A 87 -9.723 8.750 -18.278 1.00 13.41 H new ATOM 1430 N ASP A 88 -10.938 6.731 -12.420 1.00 72.35 N ATOM 1431 CA ASP A 88 -12.328 6.279 -12.260 1.00 42.31 C ATOM 1432 C ASP A 88 -12.735 6.367 -10.788 1.00 31.05 C ATOM 1433 O ASP A 88 -12.250 5.576 -9.975 1.00 55.12 O ATOM 1434 CB ASP A 88 -12.482 4.818 -12.763 1.00 4.03 C ATOM 1435 CG ASP A 88 -12.072 4.634 -14.232 1.00 2.13 C ATOM 1436 OD1 ASP A 88 -10.855 4.571 -14.513 1.00 2.14 O ATOM 1437 OD2 ASP A 88 -12.956 4.553 -15.114 1.00 25.02 O ATOM 0 H ASP A 88 -10.269 5.967 -12.521 1.00 72.35 H new ATOM 0 HA ASP A 88 -12.977 6.924 -12.853 1.00 42.31 H new ATOM 0 HB2 ASP A 88 -11.876 4.161 -12.139 1.00 4.03 H new ATOM 0 HB3 ASP A 88 -13.519 4.507 -12.641 1.00 4.03 H new ATOM 1442 N GLU A 89 -13.613 7.340 -10.459 1.00 31.42 N ATOM 1443 CA GLU A 89 -14.217 7.494 -9.111 1.00 0.13 C ATOM 1444 C GLU A 89 -14.861 6.176 -8.658 1.00 33.23 C ATOM 1445 O GLU A 89 -14.812 5.816 -7.488 1.00 50.31 O ATOM 1446 CB GLU A 89 -15.308 8.604 -9.123 1.00 0.31 C ATOM 1447 CG GLU A 89 -14.818 10.014 -9.532 1.00 65.33 C ATOM 1448 CD GLU A 89 -13.924 10.731 -8.503 1.00 13.32 C ATOM 1449 OE1 GLU A 89 -13.815 10.284 -7.338 1.00 3.10 O ATOM 1450 OE2 GLU A 89 -13.355 11.784 -8.845 1.00 62.45 O ATOM 0 H GLU A 89 -13.927 8.047 -11.124 1.00 31.42 H new ATOM 0 HA GLU A 89 -13.421 7.772 -8.420 1.00 0.13 H new ATOM 0 HB2 GLU A 89 -16.102 8.302 -9.806 1.00 0.31 H new ATOM 0 HB3 GLU A 89 -15.750 8.666 -8.128 1.00 0.31 H new ATOM 0 HG2 GLU A 89 -14.268 9.930 -10.469 1.00 65.33 H new ATOM 0 HG3 GLU A 89 -15.689 10.639 -9.728 1.00 65.33 H new ATOM 1457 N GLU A 90 -15.462 5.481 -9.636 1.00 62.45 N ATOM 1458 CA GLU A 90 -16.120 4.185 -9.446 1.00 73.54 C ATOM 1459 C GLU A 90 -15.118 3.149 -8.889 1.00 24.34 C ATOM 1460 O GLU A 90 -15.328 2.607 -7.804 1.00 64.43 O ATOM 1461 CB GLU A 90 -16.690 3.729 -10.819 1.00 24.22 C ATOM 1462 CG GLU A 90 -17.643 4.763 -11.482 1.00 43.23 C ATOM 1463 CD GLU A 90 -17.574 4.755 -13.017 1.00 54.24 C ATOM 1464 OE1 GLU A 90 -16.664 5.405 -13.574 1.00 42.20 O ATOM 1465 OE2 GLU A 90 -18.400 4.081 -13.671 1.00 31.50 O ATOM 0 H GLU A 90 -15.503 5.813 -10.599 1.00 62.45 H new ATOM 0 HA GLU A 90 -16.931 4.273 -8.723 1.00 73.54 H new ATOM 0 HB2 GLU A 90 -15.860 3.528 -11.497 1.00 24.22 H new ATOM 0 HB3 GLU A 90 -17.226 2.790 -10.684 1.00 24.22 H new ATOM 0 HG2 GLU A 90 -18.667 4.556 -11.170 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -17.395 5.760 -11.119 1.00 43.23 H new ATOM 1472 N ALA A 91 -13.980 2.986 -9.597 1.00 41.30 N ATOM 1473 CA ALA A 91 -12.941 1.983 -9.263 1.00 63.11 C ATOM 1474 C ALA A 91 -12.250 2.312 -7.930 1.00 52.51 C ATOM 1475 O ALA A 91 -11.906 1.408 -7.158 1.00 12.15 O ATOM 1476 CB ALA A 91 -11.904 1.892 -10.398 1.00 73.51 C ATOM 0 H ALA A 91 -13.754 3.547 -10.419 1.00 41.30 H new ATOM 0 HA ALA A 91 -13.432 1.016 -9.152 1.00 63.11 H new ATOM 0 HB1 ALA A 91 -11.146 1.152 -10.140 1.00 73.51 H new ATOM 0 HB2 ALA A 91 -12.401 1.596 -11.322 1.00 73.51 H new ATOM 0 HB3 ALA A 91 -11.430 2.864 -10.536 1.00 73.51 H new ATOM 1482 N LEU A 92 -12.063 3.620 -7.687 1.00 74.44 N ATOM 1483 CA LEU A 92 -11.480 4.139 -6.444 1.00 71.44 C ATOM 1484 C LEU A 92 -12.351 3.764 -5.232 1.00 71.14 C ATOM 1485 O LEU A 92 -11.871 3.118 -4.304 1.00 53.03 O ATOM 1486 CB LEU A 92 -11.334 5.681 -6.546 1.00 32.04 C ATOM 1487 CG LEU A 92 -10.283 6.221 -7.564 1.00 55.30 C ATOM 1488 CD1 LEU A 92 -10.459 7.732 -7.788 1.00 21.34 C ATOM 1489 CD2 LEU A 92 -8.845 5.897 -7.113 1.00 53.55 C ATOM 0 H LEU A 92 -12.315 4.350 -8.354 1.00 74.44 H new ATOM 0 HA LEU A 92 -10.497 3.691 -6.303 1.00 71.44 H new ATOM 0 HB2 LEU A 92 -12.306 6.098 -6.808 1.00 32.04 H new ATOM 0 HB3 LEU A 92 -11.079 6.064 -5.558 1.00 32.04 H new ATOM 0 HG LEU A 92 -10.455 5.715 -8.514 1.00 55.30 H new ATOM 0 HD11 LEU A 92 -9.714 8.083 -8.502 1.00 21.34 H new ATOM 0 HD12 LEU A 92 -11.457 7.928 -8.179 1.00 21.34 H new ATOM 0 HD13 LEU A 92 -10.331 8.257 -6.842 1.00 21.34 H new ATOM 0 HD21 LEU A 92 -8.138 6.287 -7.845 1.00 53.55 H new ATOM 0 HD22 LEU A 92 -8.655 6.357 -6.143 1.00 53.55 H new ATOM 0 HD23 LEU A 92 -8.724 4.817 -7.032 1.00 53.55 H new ATOM 1501 N ARG A 93 -13.653 4.114 -5.302 1.00 35.54 N ATOM 1502 CA ARG A 93 -14.579 4.016 -4.156 1.00 44.34 C ATOM 1503 C ARG A 93 -14.900 2.564 -3.745 1.00 43.23 C ATOM 1504 O ARG A 93 -15.209 2.337 -2.581 1.00 62.23 O ATOM 1505 CB ARG A 93 -15.890 4.802 -4.415 1.00 55.41 C ATOM 1506 CG ARG A 93 -15.704 6.329 -4.528 1.00 22.41 C ATOM 1507 CD ARG A 93 -17.039 7.091 -4.603 1.00 65.34 C ATOM 1508 NE ARG A 93 -17.774 7.024 -3.325 1.00 61.12 N ATOM 1509 CZ ARG A 93 -18.991 7.543 -3.090 1.00 63.15 C ATOM 1510 NH1 ARG A 93 -19.665 8.181 -4.035 1.00 34.41 N ATOM 1511 NH2 ARG A 93 -19.511 7.463 -1.879 1.00 43.21 N ATOM 0 H ARG A 93 -14.090 4.471 -6.152 1.00 35.54 H new ATOM 0 HA ARG A 93 -14.051 4.471 -3.318 1.00 44.34 H new ATOM 0 HB2 ARG A 93 -16.344 4.434 -5.335 1.00 55.41 H new ATOM 0 HB3 ARG A 93 -16.591 4.592 -3.607 1.00 55.41 H new ATOM 0 HG2 ARG A 93 -15.136 6.685 -3.669 1.00 22.41 H new ATOM 0 HG3 ARG A 93 -15.113 6.553 -5.416 1.00 22.41 H new ATOM 0 HD2 ARG A 93 -16.850 8.133 -4.861 1.00 65.34 H new ATOM 0 HD3 ARG A 93 -17.654 6.672 -5.400 1.00 65.34 H new ATOM 0 HE ARG A 93 -17.318 6.541 -2.551 1.00 61.12 H new ATOM 0 HH11 ARG A 93 -19.262 8.287 -4.966 1.00 34.41 H new ATOM 0 HH12 ARG A 93 -20.587 8.566 -3.832 1.00 34.41 H new ATOM 0 HH21 ARG A 93 -18.989 7.009 -1.129 1.00 43.21 H new ATOM 0 HH22 ARG A 93 -20.434 7.855 -1.694 1.00 43.21 H new ATOM 1525 N LYS A 94 -14.848 1.595 -4.690 1.00 21.00 N ATOM 1526 CA LYS A 94 -15.173 0.175 -4.368 1.00 54.30 C ATOM 1527 C LYS A 94 -14.153 -0.397 -3.368 1.00 71.20 C ATOM 1528 O LYS A 94 -14.523 -0.929 -2.315 1.00 64.05 O ATOM 1529 CB LYS A 94 -15.209 -0.717 -5.641 1.00 23.41 C ATOM 1530 CG LYS A 94 -16.119 -0.205 -6.770 1.00 65.11 C ATOM 1531 CD LYS A 94 -17.573 0.089 -6.329 1.00 60.20 C ATOM 1532 CE LYS A 94 -18.409 0.698 -7.469 1.00 74.54 C ATOM 1533 NZ LYS A 94 -19.785 1.036 -7.024 1.00 2.00 N ATOM 0 H LYS A 94 -14.590 1.760 -5.663 1.00 21.00 H new ATOM 0 HA LYS A 94 -16.168 0.168 -3.922 1.00 54.30 H new ATOM 0 HB2 LYS A 94 -14.194 -0.812 -6.028 1.00 23.41 H new ATOM 0 HB3 LYS A 94 -15.537 -1.717 -5.356 1.00 23.41 H new ATOM 0 HG2 LYS A 94 -15.686 0.705 -7.186 1.00 65.11 H new ATOM 0 HG3 LYS A 94 -16.137 -0.944 -7.571 1.00 65.11 H new ATOM 0 HD2 LYS A 94 -18.042 -0.834 -5.988 1.00 60.20 H new ATOM 0 HD3 LYS A 94 -17.563 0.774 -5.481 1.00 60.20 H new ATOM 0 HE2 LYS A 94 -17.916 1.596 -7.841 1.00 74.54 H new ATOM 0 HE3 LYS A 94 -18.458 -0.006 -8.300 1.00 74.54 H new ATOM 0 HZ1 LYS A 94 -20.317 1.444 -7.819 1.00 2.00 H new ATOM 0 HZ2 LYS A 94 -20.264 0.175 -6.692 1.00 2.00 H new ATOM 0 HZ3 LYS A 94 -19.739 1.727 -6.248 1.00 2.00 H new ATOM 1547 N GLY A 95 -12.865 -0.235 -3.710 1.00 52.21 N ATOM 1548 CA GLY A 95 -11.768 -0.666 -2.851 1.00 1.33 C ATOM 1549 C GLY A 95 -11.606 0.239 -1.636 1.00 22.44 C ATOM 1550 O GLY A 95 -11.193 -0.219 -0.566 1.00 72.23 O ATOM 0 H GLY A 95 -12.564 0.196 -4.584 1.00 52.21 H new ATOM 0 HA2 GLY A 95 -11.947 -1.689 -2.520 1.00 1.33 H new ATOM 0 HA3 GLY A 95 -10.841 -0.674 -3.424 1.00 1.33 H new ATOM 1554 N TYR A 96 -11.923 1.544 -1.825 1.00 70.11 N ATOM 1555 CA TYR A 96 -11.823 2.563 -0.768 1.00 40.24 C ATOM 1556 C TYR A 96 -12.719 2.197 0.403 1.00 50.03 C ATOM 1557 O TYR A 96 -12.228 2.035 1.512 1.00 22.13 O ATOM 1558 CB TYR A 96 -12.169 3.975 -1.322 1.00 30.12 C ATOM 1559 CG TYR A 96 -12.331 5.095 -0.271 1.00 60.11 C ATOM 1560 CD1 TYR A 96 -11.229 5.653 0.377 1.00 21.14 C ATOM 1561 CD2 TYR A 96 -13.592 5.584 0.073 1.00 34.22 C ATOM 1562 CE1 TYR A 96 -11.380 6.649 1.319 1.00 40.32 C ATOM 1563 CE2 TYR A 96 -13.740 6.577 1.015 1.00 31.31 C ATOM 1564 CZ TYR A 96 -12.636 7.105 1.636 1.00 62.52 C ATOM 1565 OH TYR A 96 -12.791 8.092 2.589 1.00 42.40 O ATOM 0 H TYR A 96 -12.254 1.912 -2.717 1.00 70.11 H new ATOM 0 HA TYR A 96 -10.793 2.593 -0.413 1.00 40.24 H new ATOM 0 HB2 TYR A 96 -11.387 4.271 -2.021 1.00 30.12 H new ATOM 0 HB3 TYR A 96 -13.095 3.903 -1.892 1.00 30.12 H new ATOM 0 HD1 TYR A 96 -10.238 5.298 0.136 1.00 21.14 H new ATOM 0 HD2 TYR A 96 -14.468 5.176 -0.409 1.00 34.22 H new ATOM 0 HE1 TYR A 96 -10.513 7.069 1.806 1.00 40.32 H new ATOM 0 HE2 TYR A 96 -14.726 6.941 1.265 1.00 31.31 H new ATOM 0 HH TYR A 96 -13.590 8.622 2.384 1.00 42.40 H new ATOM 1575 N GLU A 97 -14.019 2.024 0.121 1.00 70.14 N ATOM 1576 CA GLU A 97 -15.017 1.668 1.133 1.00 20.55 C ATOM 1577 C GLU A 97 -14.684 0.318 1.775 1.00 51.01 C ATOM 1578 O GLU A 97 -14.645 0.218 2.997 1.00 14.32 O ATOM 1579 CB GLU A 97 -16.438 1.633 0.509 1.00 0.14 C ATOM 1580 CG GLU A 97 -16.986 3.002 0.057 1.00 55.32 C ATOM 1581 CD GLU A 97 -17.293 3.939 1.236 1.00 74.10 C ATOM 1582 OE1 GLU A 97 -18.414 3.866 1.789 1.00 60.34 O ATOM 1583 OE2 GLU A 97 -16.421 4.739 1.637 1.00 2.33 O ATOM 0 H GLU A 97 -14.405 2.128 -0.817 1.00 70.14 H new ATOM 0 HA GLU A 97 -14.998 2.431 1.911 1.00 20.55 H new ATOM 0 HB2 GLU A 97 -16.425 0.962 -0.350 1.00 0.14 H new ATOM 0 HB3 GLU A 97 -17.127 1.205 1.237 1.00 0.14 H new ATOM 0 HG2 GLU A 97 -16.260 3.479 -0.601 1.00 55.32 H new ATOM 0 HG3 GLU A 97 -17.894 2.850 -0.527 1.00 55.32 H new ATOM 1590 N ASP A 98 -14.393 -0.696 0.930 1.00 11.01 N ATOM 1591 CA ASP A 98 -14.172 -2.084 1.385 1.00 71.15 C ATOM 1592 C ASP A 98 -13.043 -2.168 2.429 1.00 2.11 C ATOM 1593 O ASP A 98 -13.244 -2.700 3.519 1.00 24.21 O ATOM 1594 CB ASP A 98 -13.871 -3.014 0.179 1.00 53.42 C ATOM 1595 CG ASP A 98 -13.661 -4.489 0.586 1.00 73.02 C ATOM 1596 OD1 ASP A 98 -14.579 -5.083 1.189 1.00 42.12 O ATOM 1597 OD2 ASP A 98 -12.582 -5.065 0.299 1.00 12.12 O ATOM 0 H ASP A 98 -14.306 -0.575 -0.079 1.00 11.01 H new ATOM 0 HA ASP A 98 -15.090 -2.422 1.866 1.00 71.15 H new ATOM 0 HB2 ASP A 98 -14.695 -2.954 -0.532 1.00 53.42 H new ATOM 0 HB3 ASP A 98 -12.979 -2.655 -0.335 1.00 53.42 H new ATOM 1602 N LYS A 99 -11.879 -1.591 2.105 1.00 43.34 N ATOM 1603 CA LYS A 99 -10.693 -1.629 2.988 1.00 2.21 C ATOM 1604 C LYS A 99 -10.859 -0.660 4.180 1.00 1.21 C ATOM 1605 O LYS A 99 -10.369 -0.936 5.278 1.00 22.40 O ATOM 1606 CB LYS A 99 -9.388 -1.345 2.179 1.00 31.03 C ATOM 1607 CG LYS A 99 -8.856 -2.546 1.340 1.00 73.24 C ATOM 1608 CD LYS A 99 -9.810 -2.997 0.209 1.00 34.32 C ATOM 1609 CE LYS A 99 -9.305 -4.225 -0.556 1.00 11.21 C ATOM 1610 NZ LYS A 99 -10.304 -4.685 -1.552 1.00 24.42 N ATOM 0 H LYS A 99 -11.727 -1.087 1.231 1.00 43.34 H new ATOM 0 HA LYS A 99 -10.605 -2.634 3.402 1.00 2.21 H new ATOM 0 HB2 LYS A 99 -9.570 -0.506 1.508 1.00 31.03 H new ATOM 0 HB3 LYS A 99 -8.608 -1.034 2.874 1.00 31.03 H new ATOM 0 HG2 LYS A 99 -7.895 -2.273 0.903 1.00 73.24 H new ATOM 0 HG3 LYS A 99 -8.675 -3.389 2.006 1.00 73.24 H new ATOM 0 HD2 LYS A 99 -10.788 -3.220 0.635 1.00 34.32 H new ATOM 0 HD3 LYS A 99 -9.948 -2.173 -0.491 1.00 34.32 H new ATOM 0 HE2 LYS A 99 -8.369 -3.983 -1.060 1.00 11.21 H new ATOM 0 HE3 LYS A 99 -9.090 -5.031 0.146 1.00 11.21 H new ATOM 0 HZ1 LYS A 99 -10.032 -5.623 -1.908 1.00 24.42 H new ATOM 0 HZ2 LYS A 99 -11.240 -4.743 -1.103 1.00 24.42 H new ATOM 0 HZ3 LYS A 99 -10.341 -4.011 -2.344 1.00 24.42 H new ATOM 1624 N LYS A 100 -11.584 0.457 3.963 1.00 63.22 N ATOM 1625 CA LYS A 100 -11.861 1.462 5.023 1.00 62.45 C ATOM 1626 C LYS A 100 -12.745 0.863 6.133 1.00 32.42 C ATOM 1627 O LYS A 100 -12.571 1.169 7.320 1.00 13.42 O ATOM 1628 CB LYS A 100 -12.541 2.707 4.401 1.00 44.11 C ATOM 1629 CG LYS A 100 -12.758 3.893 5.354 1.00 60.24 C ATOM 1630 CD LYS A 100 -13.507 5.059 4.667 1.00 43.24 C ATOM 1631 CE LYS A 100 -13.725 6.249 5.610 1.00 65.42 C ATOM 1632 NZ LYS A 100 -14.454 7.362 4.950 1.00 15.42 N ATOM 0 H LYS A 100 -11.993 0.691 3.058 1.00 63.22 H new ATOM 0 HA LYS A 100 -10.915 1.761 5.474 1.00 62.45 H new ATOM 0 HB2 LYS A 100 -11.936 3.046 3.560 1.00 44.11 H new ATOM 0 HB3 LYS A 100 -13.508 2.407 3.998 1.00 44.11 H new ATOM 0 HG2 LYS A 100 -13.325 3.560 6.224 1.00 60.24 H new ATOM 0 HG3 LYS A 100 -11.793 4.246 5.718 1.00 60.24 H new ATOM 0 HD2 LYS A 100 -12.941 5.388 3.796 1.00 43.24 H new ATOM 0 HD3 LYS A 100 -14.472 4.704 4.305 1.00 43.24 H new ATOM 0 HE2 LYS A 100 -14.285 5.919 6.485 1.00 65.42 H new ATOM 0 HE3 LYS A 100 -12.760 6.610 5.966 1.00 65.42 H new ATOM 0 HZ1 LYS A 100 -14.549 8.157 5.614 1.00 15.42 H new ATOM 0 HZ2 LYS A 100 -13.926 7.673 4.110 1.00 15.42 H new ATOM 0 HZ3 LYS A 100 -15.399 7.036 4.663 1.00 15.42 H new ATOM 1646 N LYS A 101 -13.669 -0.024 5.722 1.00 71.11 N ATOM 1647 CA LYS A 101 -14.604 -0.728 6.623 1.00 62.42 C ATOM 1648 C LYS A 101 -13.899 -1.843 7.417 1.00 24.23 C ATOM 1649 O LYS A 101 -14.471 -2.395 8.359 1.00 5.30 O ATOM 1650 CB LYS A 101 -15.789 -1.300 5.803 1.00 62.01 C ATOM 1651 CG LYS A 101 -16.725 -0.220 5.212 1.00 70.45 C ATOM 1652 CD LYS A 101 -17.720 -0.787 4.173 1.00 2.14 C ATOM 1653 CE LYS A 101 -18.675 -1.837 4.754 1.00 44.33 C ATOM 1654 NZ LYS A 101 -19.606 -2.363 3.724 1.00 61.14 N ATOM 0 H LYS A 101 -13.790 -0.277 4.741 1.00 71.11 H new ATOM 0 HA LYS A 101 -14.985 -0.010 7.349 1.00 62.42 H new ATOM 0 HB2 LYS A 101 -15.394 -1.908 4.989 1.00 62.01 H new ATOM 0 HB3 LYS A 101 -16.373 -1.962 6.442 1.00 62.01 H new ATOM 0 HG2 LYS A 101 -17.282 0.252 6.021 1.00 70.45 H new ATOM 0 HG3 LYS A 101 -16.123 0.558 4.743 1.00 70.45 H new ATOM 0 HD2 LYS A 101 -18.304 0.033 3.755 1.00 2.14 H new ATOM 0 HD3 LYS A 101 -17.160 -1.231 3.350 1.00 2.14 H new ATOM 0 HE2 LYS A 101 -18.098 -2.659 5.177 1.00 44.33 H new ATOM 0 HE3 LYS A 101 -19.247 -1.396 5.570 1.00 44.33 H new ATOM 0 HZ1 LYS A 101 -20.236 -3.070 4.154 1.00 61.14 H new ATOM 0 HZ2 LYS A 101 -20.174 -1.582 3.338 1.00 61.14 H new ATOM 0 HZ3 LYS A 101 -19.061 -2.806 2.957 1.00 61.14 H new ATOM 1668 N LYS A 102 -12.660 -2.188 7.017 1.00 3.11 N ATOM 1669 CA LYS A 102 -11.798 -3.112 7.787 1.00 63.33 C ATOM 1670 C LYS A 102 -10.976 -2.325 8.838 1.00 1.43 C ATOM 1671 O LYS A 102 -10.150 -2.898 9.550 1.00 52.14 O ATOM 1672 CB LYS A 102 -10.858 -3.900 6.838 1.00 73.42 C ATOM 1673 CG LYS A 102 -11.547 -4.503 5.598 1.00 4.24 C ATOM 1674 CD LYS A 102 -10.592 -5.348 4.716 1.00 2.23 C ATOM 1675 CE LYS A 102 -11.153 -5.597 3.301 1.00 35.11 C ATOM 1676 NZ LYS A 102 -12.558 -6.090 3.314 1.00 63.22 N ATOM 0 H LYS A 102 -12.230 -1.840 6.160 1.00 3.11 H new ATOM 0 HA LYS A 102 -12.434 -3.828 8.308 1.00 63.33 H new ATOM 0 HB2 LYS A 102 -10.060 -3.235 6.506 1.00 73.42 H new ATOM 0 HB3 LYS A 102 -10.388 -4.705 7.402 1.00 73.42 H new ATOM 0 HG2 LYS A 102 -12.380 -5.128 5.921 1.00 4.24 H new ATOM 0 HG3 LYS A 102 -11.968 -3.697 4.997 1.00 4.24 H new ATOM 0 HD2 LYS A 102 -9.631 -4.839 4.637 1.00 2.23 H new ATOM 0 HD3 LYS A 102 -10.407 -6.306 5.203 1.00 2.23 H new ATOM 0 HE2 LYS A 102 -11.103 -4.671 2.728 1.00 35.11 H new ATOM 0 HE3 LYS A 102 -10.523 -6.324 2.788 1.00 35.11 H new ATOM 0 HZ1 LYS A 102 -12.674 -6.826 2.588 1.00 63.22 H new ATOM 0 HZ2 LYS A 102 -12.778 -6.488 4.249 1.00 63.22 H new ATOM 0 HZ3 LYS A 102 -13.205 -5.301 3.113 1.00 63.22 H new ATOM 1690 N GLY A 103 -11.212 -0.997 8.905 1.00 1.41 N ATOM 1691 CA GLY A 103 -10.578 -0.115 9.882 1.00 11.32 C ATOM 1692 C GLY A 103 -9.230 0.403 9.421 1.00 14.13 C ATOM 1693 O GLY A 103 -8.326 0.575 10.243 1.00 41.51 O ATOM 0 H GLY A 103 -11.853 -0.514 8.275 1.00 1.41 H new ATOM 0 HA2 GLY A 103 -11.237 0.730 10.083 1.00 11.32 H new ATOM 0 HA3 GLY A 103 -10.453 -0.652 10.822 1.00 11.32 H new ATOM 1697 N TYR A 104 -9.087 0.647 8.099 1.00 45.31 N ATOM 1698 CA TYR A 104 -7.823 1.144 7.487 1.00 70.42 C ATOM 1699 C TYR A 104 -8.007 2.579 6.981 1.00 72.22 C ATOM 1700 O TYR A 104 -9.111 2.963 6.573 1.00 23.14 O ATOM 1701 CB TYR A 104 -7.386 0.246 6.287 1.00 4.12 C ATOM 1702 CG TYR A 104 -7.324 -1.265 6.561 1.00 61.25 C ATOM 1703 CD1 TYR A 104 -7.078 -1.778 7.842 1.00 4.22 C ATOM 1704 CD2 TYR A 104 -7.531 -2.182 5.530 1.00 21.01 C ATOM 1705 CE1 TYR A 104 -7.044 -3.136 8.070 1.00 14.23 C ATOM 1706 CE2 TYR A 104 -7.505 -3.537 5.762 1.00 74.21 C ATOM 1707 CZ TYR A 104 -7.261 -4.010 7.028 1.00 3.35 C ATOM 1708 OH TYR A 104 -7.264 -5.367 7.257 1.00 72.12 O ATOM 0 H TYR A 104 -9.839 0.507 7.424 1.00 45.31 H new ATOM 0 HA TYR A 104 -7.052 1.113 8.257 1.00 70.42 H new ATOM 0 HB2 TYR A 104 -8.077 0.417 5.461 1.00 4.12 H new ATOM 0 HB3 TYR A 104 -6.402 0.575 5.953 1.00 4.12 H new ATOM 0 HD1 TYR A 104 -6.912 -1.097 8.664 1.00 4.22 H new ATOM 0 HD2 TYR A 104 -7.715 -1.820 4.529 1.00 21.01 H new ATOM 0 HE1 TYR A 104 -6.848 -3.514 9.062 1.00 14.23 H new ATOM 0 HE2 TYR A 104 -7.676 -4.228 4.950 1.00 74.21 H new ATOM 0 HH TYR A 104 -7.433 -5.840 6.416 1.00 72.12 H new ATOM 1718 N ASP A 105 -6.918 3.366 7.005 1.00 64.30 N ATOM 1719 CA ASP A 105 -6.882 4.692 6.367 1.00 11.22 C ATOM 1720 C ASP A 105 -6.669 4.503 4.865 1.00 24.31 C ATOM 1721 O ASP A 105 -5.564 4.160 4.440 1.00 32.31 O ATOM 1722 CB ASP A 105 -5.747 5.584 6.951 1.00 3.42 C ATOM 1723 CG ASP A 105 -5.933 5.955 8.431 1.00 5.22 C ATOM 1724 OD1 ASP A 105 -7.075 6.261 8.846 1.00 42.13 O ATOM 1725 OD2 ASP A 105 -4.934 5.992 9.184 1.00 73.44 O ATOM 0 H ASP A 105 -6.045 3.104 7.463 1.00 64.30 H new ATOM 0 HA ASP A 105 -7.827 5.198 6.562 1.00 11.22 H new ATOM 0 HB2 ASP A 105 -4.796 5.064 6.836 1.00 3.42 H new ATOM 0 HB3 ASP A 105 -5.682 6.500 6.364 1.00 3.42 H new ATOM 1730 N VAL A 106 -7.729 4.671 4.060 1.00 24.33 N ATOM 1731 CA VAL A 106 -7.635 4.508 2.603 1.00 61.10 C ATOM 1732 C VAL A 106 -7.670 5.886 1.919 1.00 55.24 C ATOM 1733 O VAL A 106 -8.419 6.776 2.340 1.00 54.33 O ATOM 1734 CB VAL A 106 -8.765 3.573 2.032 1.00 70.11 C ATOM 1735 CG1 VAL A 106 -8.530 3.259 0.528 1.00 43.45 C ATOM 1736 CG2 VAL A 106 -8.865 2.269 2.851 1.00 65.41 C ATOM 0 H VAL A 106 -8.660 4.919 4.394 1.00 24.33 H new ATOM 0 HA VAL A 106 -6.685 4.021 2.385 1.00 61.10 H new ATOM 0 HB VAL A 106 -9.712 4.106 2.119 1.00 70.11 H new ATOM 0 HG11 VAL A 106 -9.327 2.611 0.163 1.00 43.45 H new ATOM 0 HG12 VAL A 106 -8.528 4.188 -0.042 1.00 43.45 H new ATOM 0 HG13 VAL A 106 -7.570 2.757 0.407 1.00 43.45 H new ATOM 0 HG21 VAL A 106 -9.653 1.639 2.437 1.00 65.41 H new ATOM 0 HG22 VAL A 106 -7.914 1.738 2.806 1.00 65.41 H new ATOM 0 HG23 VAL A 106 -9.099 2.508 3.888 1.00 65.41 H new ATOM 1746 N TYR A 107 -6.820 6.059 0.899 1.00 42.13 N ATOM 1747 CA TYR A 107 -6.758 7.260 0.066 1.00 74.32 C ATOM 1748 C TYR A 107 -7.102 6.908 -1.386 1.00 21.01 C ATOM 1749 O TYR A 107 -6.746 5.829 -1.879 1.00 50.14 O ATOM 1750 CB TYR A 107 -5.342 7.880 0.136 1.00 3.45 C ATOM 1751 CG TYR A 107 -4.976 8.439 1.513 1.00 21.14 C ATOM 1752 CD1 TYR A 107 -5.453 9.687 1.918 1.00 2.24 C ATOM 1753 CD2 TYR A 107 -4.156 7.735 2.403 1.00 65.02 C ATOM 1754 CE1 TYR A 107 -5.122 10.218 3.144 1.00 14.34 C ATOM 1755 CE2 TYR A 107 -3.828 8.264 3.639 1.00 31.31 C ATOM 1756 CZ TYR A 107 -4.312 9.506 4.002 1.00 23.04 C ATOM 1757 OH TYR A 107 -3.981 10.050 5.223 1.00 53.41 O ATOM 0 H TYR A 107 -6.141 5.349 0.626 1.00 42.13 H new ATOM 0 HA TYR A 107 -7.482 7.986 0.437 1.00 74.32 H new ATOM 0 HB2 TYR A 107 -4.610 7.122 -0.144 1.00 3.45 H new ATOM 0 HB3 TYR A 107 -5.270 8.680 -0.601 1.00 3.45 H new ATOM 0 HD1 TYR A 107 -6.095 10.248 1.255 1.00 2.24 H new ATOM 0 HD2 TYR A 107 -3.774 6.765 2.121 1.00 65.02 H new ATOM 0 HE1 TYR A 107 -5.496 11.189 3.433 1.00 14.34 H new ATOM 0 HE2 TYR A 107 -3.197 7.709 4.317 1.00 31.31 H new ATOM 0 HH TYR A 107 -4.706 10.634 5.528 1.00 53.41 H new ATOM 1767 N THR A 108 -7.807 7.825 -2.049 1.00 63.34 N ATOM 1768 CA THR A 108 -8.102 7.750 -3.480 1.00 2.53 C ATOM 1769 C THR A 108 -7.274 8.823 -4.202 1.00 10.45 C ATOM 1770 O THR A 108 -7.277 9.990 -3.803 1.00 61.12 O ATOM 1771 CB THR A 108 -9.630 7.981 -3.732 1.00 1.22 C ATOM 1772 OG1 THR A 108 -10.035 9.243 -3.175 1.00 13.40 O ATOM 1773 CG2 THR A 108 -10.492 6.862 -3.118 1.00 42.24 C ATOM 0 H THR A 108 -8.195 8.654 -1.599 1.00 63.34 H new ATOM 0 HA THR A 108 -7.843 6.762 -3.862 1.00 2.53 H new ATOM 0 HB THR A 108 -9.783 7.977 -4.811 1.00 1.22 H new ATOM 0 HG1 THR A 108 -10.991 9.381 -3.338 1.00 13.40 H new ATOM 0 HG21 THR A 108 -11.545 7.063 -3.317 1.00 42.24 H new ATOM 0 HG22 THR A 108 -10.215 5.905 -3.561 1.00 42.24 H new ATOM 0 HG23 THR A 108 -10.327 6.825 -2.041 1.00 42.24 H new ATOM 1781 N SER A 109 -6.557 8.436 -5.256 1.00 44.11 N ATOM 1782 CA SER A 109 -5.680 9.350 -6.001 1.00 31.13 C ATOM 1783 C SER A 109 -6.045 9.310 -7.480 1.00 70.41 C ATOM 1784 O SER A 109 -6.207 8.231 -8.050 1.00 24.24 O ATOM 1785 CB SER A 109 -4.205 8.972 -5.767 1.00 20.20 C ATOM 1786 OG SER A 109 -3.959 7.606 -5.996 1.00 52.14 O ATOM 0 H SER A 109 -6.565 7.483 -5.620 1.00 44.11 H new ATOM 0 HA SER A 109 -5.818 10.371 -5.645 1.00 31.13 H new ATOM 0 HB2 SER A 109 -3.571 9.568 -6.424 1.00 20.20 H new ATOM 0 HB3 SER A 109 -3.927 9.222 -4.743 1.00 20.20 H new ATOM 0 HG SER A 109 -4.767 7.090 -5.794 1.00 52.14 H new ATOM 1792 N ARG A 110 -6.190 10.501 -8.080 1.00 32.50 N ATOM 1793 CA ARG A 110 -6.618 10.655 -9.486 1.00 31.11 C ATOM 1794 C ARG A 110 -5.441 10.488 -10.455 1.00 30.02 C ATOM 1795 O ARG A 110 -5.649 10.242 -11.653 1.00 44.12 O ATOM 1796 CB ARG A 110 -7.312 12.029 -9.687 1.00 72.12 C ATOM 1797 CG ARG A 110 -8.512 12.277 -8.746 1.00 0.14 C ATOM 1798 CD ARG A 110 -9.542 11.131 -8.774 1.00 4.42 C ATOM 1799 NE ARG A 110 -10.615 11.307 -7.787 1.00 20.01 N ATOM 1800 CZ ARG A 110 -10.516 11.108 -6.463 1.00 24.22 C ATOM 1801 NH1 ARG A 110 -9.375 10.718 -5.900 1.00 2.43 N ATOM 1802 NH2 ARG A 110 -11.593 11.231 -5.713 1.00 64.25 N ATOM 0 H ARG A 110 -6.015 11.388 -7.607 1.00 32.50 H new ATOM 0 HA ARG A 110 -7.335 9.865 -9.710 1.00 31.11 H new ATOM 0 HB2 ARG A 110 -6.577 12.820 -9.536 1.00 72.12 H new ATOM 0 HB3 ARG A 110 -7.653 12.103 -10.720 1.00 72.12 H new ATOM 0 HG2 ARG A 110 -8.148 12.407 -7.727 1.00 0.14 H new ATOM 0 HG3 ARG A 110 -9.003 13.208 -9.030 1.00 0.14 H new ATOM 0 HD2 ARG A 110 -9.978 11.065 -9.771 1.00 4.42 H new ATOM 0 HD3 ARG A 110 -9.033 10.186 -8.586 1.00 4.42 H new ATOM 0 HE ARG A 110 -11.522 11.609 -8.141 1.00 20.01 H new ATOM 0 HH11 ARG A 110 -8.548 10.563 -6.477 1.00 2.43 H new ATOM 0 HH12 ARG A 110 -9.327 10.574 -4.891 1.00 2.43 H new ATOM 0 HH21 ARG A 110 -12.487 11.474 -6.140 1.00 64.25 H new ATOM 0 HH22 ARG A 110 -11.533 11.083 -4.706 1.00 64.25 H new ATOM 1816 N ASN A 111 -4.214 10.621 -9.926 1.00 2.02 N ATOM 1817 CA ASN A 111 -2.977 10.489 -10.713 1.00 50.44 C ATOM 1818 C ASN A 111 -1.790 10.135 -9.795 1.00 72.10 C ATOM 1819 O ASN A 111 -1.961 9.988 -8.576 1.00 1.51 O ATOM 1820 CB ASN A 111 -2.698 11.788 -11.526 1.00 70.24 C ATOM 1821 CG ASN A 111 -2.332 13.006 -10.671 1.00 50.24 C ATOM 1822 OD1 ASN A 111 -1.170 13.244 -10.375 1.00 51.23 O ATOM 1823 ND2 ASN A 111 -3.313 13.793 -10.278 1.00 50.51 N ATOM 0 H ASN A 111 -4.051 10.823 -8.940 1.00 2.02 H new ATOM 0 HA ASN A 111 -3.105 9.675 -11.426 1.00 50.44 H new ATOM 0 HB2 ASN A 111 -1.886 11.595 -12.228 1.00 70.24 H new ATOM 0 HB3 ASN A 111 -3.581 12.028 -12.118 1.00 70.24 H new ATOM 0 HD21 ASN A 111 -3.110 14.619 -9.716 1.00 50.51 H new ATOM 0 HD22 ASN A 111 -4.276 13.576 -10.536 1.00 50.51 H new ATOM 1830 N GLU A 112 -0.596 10.020 -10.408 1.00 35.10 N ATOM 1831 CA GLU A 112 0.642 9.595 -9.731 1.00 30.23 C ATOM 1832 C GLU A 112 1.107 10.616 -8.672 1.00 42.20 C ATOM 1833 O GLU A 112 1.579 10.212 -7.617 1.00 21.44 O ATOM 1834 CB GLU A 112 1.744 9.329 -10.796 1.00 54.32 C ATOM 1835 CG GLU A 112 3.168 8.987 -10.242 1.00 21.22 C ATOM 1836 CD GLU A 112 4.219 10.105 -10.425 1.00 33.11 C ATOM 1837 OE1 GLU A 112 3.861 11.304 -10.372 1.00 61.44 O ATOM 1838 OE2 GLU A 112 5.415 9.789 -10.606 1.00 45.12 O ATOM 0 H GLU A 112 -0.464 10.222 -11.399 1.00 35.10 H new ATOM 0 HA GLU A 112 0.441 8.671 -9.188 1.00 30.23 H new ATOM 0 HB2 GLU A 112 1.416 8.506 -11.431 1.00 54.32 H new ATOM 0 HB3 GLU A 112 1.826 10.210 -11.433 1.00 54.32 H new ATOM 0 HG2 GLU A 112 3.084 8.757 -9.180 1.00 21.22 H new ATOM 0 HG3 GLU A 112 3.528 8.085 -10.736 1.00 21.22 H new ATOM 1845 N ASP A 113 0.961 11.933 -8.961 1.00 75.11 N ATOM 1846 CA ASP A 113 1.371 13.020 -8.022 1.00 1.02 C ATOM 1847 C ASP A 113 0.503 13.014 -6.751 1.00 54.13 C ATOM 1848 O ASP A 113 0.995 13.290 -5.646 1.00 73.34 O ATOM 1849 CB ASP A 113 1.310 14.420 -8.688 1.00 53.41 C ATOM 1850 CG ASP A 113 2.171 14.520 -9.953 1.00 45.32 C ATOM 1851 OD1 ASP A 113 3.409 14.683 -9.840 1.00 72.11 O ATOM 1852 OD2 ASP A 113 1.617 14.433 -11.070 1.00 50.41 O ATOM 0 H ASP A 113 0.563 12.273 -9.836 1.00 75.11 H new ATOM 0 HA ASP A 113 2.407 12.819 -7.748 1.00 1.02 H new ATOM 0 HB2 ASP A 113 0.275 14.651 -8.940 1.00 53.41 H new ATOM 0 HB3 ASP A 113 1.639 15.172 -7.971 1.00 53.41 H new ATOM 1857 N GLU A 114 -0.791 12.710 -6.940 1.00 33.43 N ATOM 1858 CA GLU A 114 -1.754 12.530 -5.835 1.00 41.31 C ATOM 1859 C GLU A 114 -1.383 11.301 -4.995 1.00 63.22 C ATOM 1860 O GLU A 114 -1.417 11.344 -3.770 1.00 44.21 O ATOM 1861 CB GLU A 114 -3.186 12.385 -6.396 1.00 21.45 C ATOM 1862 CG GLU A 114 -3.712 13.640 -7.097 1.00 74.33 C ATOM 1863 CD GLU A 114 -4.017 14.804 -6.134 1.00 40.22 C ATOM 1864 OE1 GLU A 114 -5.059 14.749 -5.449 1.00 45.30 O ATOM 1865 OE2 GLU A 114 -3.224 15.769 -6.054 1.00 54.42 O ATOM 0 H GLU A 114 -1.202 12.581 -7.864 1.00 33.43 H new ATOM 0 HA GLU A 114 -1.716 13.410 -5.193 1.00 41.31 H new ATOM 0 HB2 GLU A 114 -3.207 11.553 -7.100 1.00 21.45 H new ATOM 0 HB3 GLU A 114 -3.861 12.128 -5.579 1.00 21.45 H new ATOM 0 HG2 GLU A 114 -2.977 13.970 -7.831 1.00 74.33 H new ATOM 0 HG3 GLU A 114 -4.619 13.386 -7.645 1.00 74.33 H new ATOM 1872 N ALA A 115 -1.018 10.212 -5.680 1.00 62.13 N ATOM 1873 CA ALA A 115 -0.584 8.960 -5.036 1.00 34.14 C ATOM 1874 C ALA A 115 0.736 9.163 -4.279 1.00 72.52 C ATOM 1875 O ALA A 115 0.953 8.584 -3.220 1.00 43.10 O ATOM 1876 CB ALA A 115 -0.435 7.876 -6.104 1.00 22.03 C ATOM 0 H ALA A 115 -1.014 10.170 -6.699 1.00 62.13 H new ATOM 0 HA ALA A 115 -1.334 8.651 -4.308 1.00 34.14 H new ATOM 0 HB1 ALA A 115 -0.114 6.946 -5.636 1.00 22.03 H new ATOM 0 HB2 ALA A 115 -1.393 7.721 -6.601 1.00 22.03 H new ATOM 0 HB3 ALA A 115 0.308 8.188 -6.838 1.00 22.03 H new ATOM 1882 N LYS A 116 1.574 10.040 -4.845 1.00 21.42 N ATOM 1883 CA LYS A 116 2.925 10.358 -4.364 1.00 12.44 C ATOM 1884 C LYS A 116 2.878 11.108 -3.030 1.00 32.42 C ATOM 1885 O LYS A 116 3.626 10.769 -2.099 1.00 24.14 O ATOM 1886 CB LYS A 116 3.626 11.194 -5.463 1.00 23.11 C ATOM 1887 CG LYS A 116 5.042 11.714 -5.155 1.00 24.13 C ATOM 1888 CD LYS A 116 5.677 12.403 -6.395 1.00 4.31 C ATOM 1889 CE LYS A 116 5.867 11.435 -7.579 1.00 70.32 C ATOM 1890 NZ LYS A 116 6.409 12.100 -8.796 1.00 51.44 N ATOM 0 H LYS A 116 1.321 10.567 -5.681 1.00 21.42 H new ATOM 0 HA LYS A 116 3.486 9.442 -4.177 1.00 12.44 H new ATOM 0 HB2 LYS A 116 3.678 10.588 -6.367 1.00 23.11 H new ATOM 0 HB3 LYS A 116 2.993 12.052 -5.690 1.00 23.11 H new ATOM 0 HG2 LYS A 116 4.999 12.421 -4.327 1.00 24.13 H new ATOM 0 HG3 LYS A 116 5.673 10.885 -4.834 1.00 24.13 H new ATOM 0 HD2 LYS A 116 5.045 13.234 -6.708 1.00 4.31 H new ATOM 0 HD3 LYS A 116 6.643 12.825 -6.117 1.00 4.31 H new ATOM 0 HE2 LYS A 116 6.541 10.633 -7.280 1.00 70.32 H new ATOM 0 HE3 LYS A 116 4.910 10.973 -7.820 1.00 70.32 H new ATOM 0 HZ1 LYS A 116 6.325 11.457 -9.609 1.00 51.44 H new ATOM 0 HZ2 LYS A 116 5.871 12.970 -8.985 1.00 51.44 H new ATOM 0 HZ3 LYS A 116 7.410 12.338 -8.645 1.00 51.44 H new ATOM 1904 N LYS A 117 1.987 12.120 -2.936 1.00 15.33 N ATOM 1905 CA LYS A 117 1.853 12.926 -1.709 1.00 30.51 C ATOM 1906 C LYS A 117 1.226 12.084 -0.585 1.00 43.33 C ATOM 1907 O LYS A 117 1.716 12.098 0.540 1.00 52.41 O ATOM 1908 CB LYS A 117 1.042 14.225 -1.967 1.00 14.14 C ATOM 1909 CG LYS A 117 -0.422 14.023 -2.430 1.00 22.44 C ATOM 1910 CD LYS A 117 -1.126 15.335 -2.845 1.00 22.54 C ATOM 1911 CE LYS A 117 -0.462 16.008 -4.062 1.00 54.41 C ATOM 1912 NZ LYS A 117 -1.195 17.227 -4.503 1.00 41.45 N ATOM 0 H LYS A 117 1.357 12.394 -3.690 1.00 15.33 H new ATOM 0 HA LYS A 117 2.850 13.232 -1.391 1.00 30.51 H new ATOM 0 HB2 LYS A 117 1.036 14.815 -1.051 1.00 14.14 H new ATOM 0 HB3 LYS A 117 1.564 14.813 -2.721 1.00 14.14 H new ATOM 0 HG2 LYS A 117 -0.436 13.331 -3.272 1.00 22.44 H new ATOM 0 HG3 LYS A 117 -0.988 13.556 -1.624 1.00 22.44 H new ATOM 0 HD2 LYS A 117 -2.170 15.125 -3.076 1.00 22.54 H new ATOM 0 HD3 LYS A 117 -1.119 16.028 -2.004 1.00 22.54 H new ATOM 0 HE2 LYS A 117 0.565 16.275 -3.812 1.00 54.41 H new ATOM 0 HE3 LYS A 117 -0.415 15.297 -4.887 1.00 54.41 H new ATOM 0 HZ1 LYS A 117 -0.550 17.848 -5.031 1.00 41.45 H new ATOM 0 HZ2 LYS A 117 -1.989 16.952 -5.115 1.00 41.45 H new ATOM 0 HZ3 LYS A 117 -1.559 17.734 -3.671 1.00 41.45 H new ATOM 1926 N LYS A 118 0.178 11.305 -0.938 1.00 33.10 N ATOM 1927 CA LYS A 118 -0.585 10.477 0.021 1.00 22.23 C ATOM 1928 C LYS A 118 0.245 9.298 0.540 1.00 44.45 C ATOM 1929 O LYS A 118 0.006 8.805 1.648 1.00 32.52 O ATOM 1930 CB LYS A 118 -1.906 9.973 -0.629 1.00 4.21 C ATOM 1931 CG LYS A 118 -2.881 11.111 -1.023 1.00 5.22 C ATOM 1932 CD LYS A 118 -3.321 11.960 0.193 1.00 45.01 C ATOM 1933 CE LYS A 118 -4.097 13.229 -0.185 1.00 14.42 C ATOM 1934 NZ LYS A 118 -4.467 14.010 1.030 1.00 63.21 N ATOM 0 H LYS A 118 -0.162 11.234 -1.897 1.00 33.10 H new ATOM 0 HA LYS A 118 -0.831 11.105 0.877 1.00 22.23 H new ATOM 0 HB2 LYS A 118 -1.664 9.390 -1.518 1.00 4.21 H new ATOM 0 HB3 LYS A 118 -2.409 9.300 0.066 1.00 4.21 H new ATOM 0 HG2 LYS A 118 -2.402 11.757 -1.759 1.00 5.22 H new ATOM 0 HG3 LYS A 118 -3.762 10.682 -1.500 1.00 5.22 H new ATOM 0 HD2 LYS A 118 -3.942 11.347 0.847 1.00 45.01 H new ATOM 0 HD3 LYS A 118 -2.438 12.243 0.766 1.00 45.01 H new ATOM 0 HE2 LYS A 118 -3.491 13.846 -0.848 1.00 14.42 H new ATOM 0 HE3 LYS A 118 -4.998 12.958 -0.736 1.00 14.42 H new ATOM 0 HZ1 LYS A 118 -4.577 15.013 0.778 1.00 63.21 H new ATOM 0 HZ2 LYS A 118 -5.363 13.649 1.415 1.00 63.21 H new ATOM 0 HZ3 LYS A 118 -3.719 13.913 1.746 1.00 63.21 H new ATOM 1948 N LEU A 119 1.201 8.847 -0.285 1.00 14.23 N ATOM 1949 CA LEU A 119 2.130 7.764 0.068 1.00 2.32 C ATOM 1950 C LEU A 119 3.085 8.211 1.171 1.00 73.44 C ATOM 1951 O LEU A 119 3.334 7.474 2.128 1.00 1.24 O ATOM 1952 CB LEU A 119 2.903 7.298 -1.187 1.00 1.34 C ATOM 1953 CG LEU A 119 3.912 6.118 -1.006 1.00 60.11 C ATOM 1954 CD1 LEU A 119 3.297 4.956 -0.203 1.00 21.14 C ATOM 1955 CD2 LEU A 119 4.414 5.631 -2.375 1.00 35.40 C ATOM 0 H LEU A 119 1.352 9.225 -1.220 1.00 14.23 H new ATOM 0 HA LEU A 119 1.557 6.919 0.450 1.00 2.32 H new ATOM 0 HB2 LEU A 119 2.175 7.007 -1.944 1.00 1.34 H new ATOM 0 HB3 LEU A 119 3.450 8.153 -1.584 1.00 1.34 H new ATOM 0 HG LEU A 119 4.761 6.492 -0.433 1.00 60.11 H new ATOM 0 HD11 LEU A 119 4.031 4.157 -0.100 1.00 21.14 H new ATOM 0 HD12 LEU A 119 3.006 5.311 0.786 1.00 21.14 H new ATOM 0 HD13 LEU A 119 2.419 4.577 -0.726 1.00 21.14 H new ATOM 0 HD21 LEU A 119 5.116 4.809 -2.234 1.00 35.40 H new ATOM 0 HD22 LEU A 119 3.569 5.288 -2.971 1.00 35.40 H new ATOM 0 HD23 LEU A 119 4.914 6.450 -2.892 1.00 35.40 H new ATOM 1967 N LYS A 120 3.606 9.430 1.032 1.00 50.34 N ATOM 1968 CA LYS A 120 4.494 10.029 2.031 1.00 14.34 C ATOM 1969 C LYS A 120 3.712 10.457 3.282 1.00 32.14 C ATOM 1970 O LYS A 120 4.271 10.457 4.376 1.00 42.04 O ATOM 1971 CB LYS A 120 5.303 11.174 1.391 1.00 24.14 C ATOM 1972 CG LYS A 120 6.295 10.652 0.321 1.00 63.12 C ATOM 1973 CD LYS A 120 7.116 11.764 -0.359 1.00 12.31 C ATOM 1974 CE LYS A 120 6.260 12.701 -1.229 1.00 65.00 C ATOM 1975 NZ LYS A 120 7.095 13.728 -1.902 1.00 34.24 N ATOM 0 H LYS A 120 3.426 10.029 0.227 1.00 50.34 H new ATOM 0 HA LYS A 120 5.212 9.284 2.375 1.00 14.34 H new ATOM 0 HB2 LYS A 120 4.620 11.890 0.934 1.00 24.14 H new ATOM 0 HB3 LYS A 120 5.853 11.708 2.166 1.00 24.14 H new ATOM 0 HG2 LYS A 120 6.978 9.942 0.788 1.00 63.12 H new ATOM 0 HG3 LYS A 120 5.739 10.106 -0.441 1.00 63.12 H new ATOM 0 HD2 LYS A 120 7.624 12.352 0.406 1.00 12.31 H new ATOM 0 HD3 LYS A 120 7.890 11.309 -0.978 1.00 12.31 H new ATOM 0 HE2 LYS A 120 5.725 12.117 -1.978 1.00 65.00 H new ATOM 0 HE3 LYS A 120 5.508 13.190 -0.609 1.00 65.00 H new ATOM 0 HZ1 LYS A 120 6.489 14.344 -2.481 1.00 34.24 H new ATOM 0 HZ2 LYS A 120 7.586 14.300 -1.186 1.00 34.24 H new ATOM 0 HZ3 LYS A 120 7.796 13.261 -2.512 1.00 34.24 H new ATOM 1989 N GLU A 121 2.418 10.802 3.104 1.00 13.03 N ATOM 1990 CA GLU A 121 1.462 11.024 4.222 1.00 61.41 C ATOM 1991 C GLU A 121 1.215 9.721 5.009 1.00 23.21 C ATOM 1992 O GLU A 121 0.984 9.747 6.221 1.00 63.51 O ATOM 1993 CB GLU A 121 0.126 11.618 3.693 1.00 31.25 C ATOM 1994 CG GLU A 121 0.253 13.069 3.182 1.00 2.22 C ATOM 1995 CD GLU A 121 -1.025 13.618 2.518 1.00 70.00 C ATOM 1996 OE1 GLU A 121 -2.086 13.656 3.182 1.00 13.44 O ATOM 1997 OE2 GLU A 121 -0.976 14.017 1.328 1.00 32.42 O ATOM 0 H GLU A 121 2.002 10.936 2.182 1.00 13.03 H new ATOM 0 HA GLU A 121 1.906 11.746 4.907 1.00 61.41 H new ATOM 0 HB2 GLU A 121 -0.247 10.989 2.885 1.00 31.25 H new ATOM 0 HB3 GLU A 121 -0.617 11.586 4.490 1.00 31.25 H new ATOM 0 HG2 GLU A 121 0.521 13.715 4.018 1.00 2.22 H new ATOM 0 HG3 GLU A 121 1.072 13.120 2.465 1.00 2.22 H new ATOM 2004 N ALA A 122 1.268 8.584 4.300 1.00 30.44 N ATOM 2005 CA ALA A 122 1.160 7.245 4.906 1.00 14.13 C ATOM 2006 C ALA A 122 2.450 6.889 5.683 1.00 23.22 C ATOM 2007 O ALA A 122 2.399 6.172 6.693 1.00 71.30 O ATOM 2008 CB ALA A 122 0.862 6.212 3.815 1.00 53.24 C ATOM 0 H ALA A 122 1.387 8.565 3.287 1.00 30.44 H new ATOM 0 HA ALA A 122 0.339 7.240 5.622 1.00 14.13 H new ATOM 0 HB1 ALA A 122 0.782 5.222 4.264 1.00 53.24 H new ATOM 0 HB2 ALA A 122 -0.077 6.464 3.322 1.00 53.24 H new ATOM 0 HB3 ALA A 122 1.669 6.214 3.082 1.00 53.24 H new ATOM 2014 N LEU A 123 3.604 7.402 5.200 1.00 13.23 N ATOM 2015 CA LEU A 123 4.912 7.261 5.886 1.00 33.11 C ATOM 2016 C LEU A 123 4.993 8.212 7.107 1.00 12.31 C ATOM 2017 O LEU A 123 5.751 7.969 8.055 1.00 65.33 O ATOM 2018 CB LEU A 123 6.087 7.510 4.901 1.00 41.10 C ATOM 2019 CG LEU A 123 6.116 6.595 3.633 1.00 74.53 C ATOM 2020 CD1 LEU A 123 7.249 6.998 2.667 1.00 74.24 C ATOM 2021 CD2 LEU A 123 6.224 5.102 4.024 1.00 1.41 C ATOM 0 H LEU A 123 3.657 7.925 4.326 1.00 13.23 H new ATOM 0 HA LEU A 123 4.998 6.237 6.250 1.00 33.11 H new ATOM 0 HB2 LEU A 123 6.049 8.550 4.575 1.00 41.10 H new ATOM 0 HB3 LEU A 123 7.024 7.379 5.442 1.00 41.10 H new ATOM 0 HG LEU A 123 5.172 6.738 3.108 1.00 74.53 H new ATOM 0 HD11 LEU A 123 7.238 6.340 1.798 1.00 74.24 H new ATOM 0 HD12 LEU A 123 7.102 8.029 2.344 1.00 74.24 H new ATOM 0 HD13 LEU A 123 8.209 6.911 3.176 1.00 74.24 H new ATOM 0 HD21 LEU A 123 6.242 4.490 3.122 1.00 1.41 H new ATOM 0 HD22 LEU A 123 7.141 4.940 4.591 1.00 1.41 H new ATOM 0 HD23 LEU A 123 5.365 4.823 4.635 1.00 1.41 H new ATOM 2033 N GLU A 124 4.239 9.323 7.048 1.00 31.51 N ATOM 2034 CA GLU A 124 4.051 10.235 8.198 1.00 3.13 C ATOM 2035 C GLU A 124 3.272 9.527 9.329 1.00 70.31 C ATOM 2036 O GLU A 124 3.478 9.822 10.511 1.00 11.11 O ATOM 2037 CB GLU A 124 3.314 11.530 7.745 1.00 41.42 C ATOM 2038 CG GLU A 124 4.139 12.427 6.804 1.00 14.02 C ATOM 2039 CD GLU A 124 3.369 13.645 6.256 1.00 70.02 C ATOM 2040 OE1 GLU A 124 2.908 14.483 7.055 1.00 45.14 O ATOM 2041 OE2 GLU A 124 3.241 13.789 5.021 1.00 52.32 O ATOM 0 H GLU A 124 3.743 9.617 6.207 1.00 31.51 H new ATOM 0 HA GLU A 124 5.031 10.515 8.585 1.00 3.13 H new ATOM 0 HB2 GLU A 124 2.387 11.251 7.243 1.00 41.42 H new ATOM 0 HB3 GLU A 124 3.038 12.106 8.628 1.00 41.42 H new ATOM 0 HG2 GLU A 124 5.022 12.779 7.338 1.00 14.02 H new ATOM 0 HG3 GLU A 124 4.492 11.827 5.965 1.00 14.02 H new ATOM 2048 N LYS A 125 2.378 8.588 8.943 1.00 13.43 N ATOM 2049 CA LYS A 125 1.580 7.777 9.893 1.00 30.13 C ATOM 2050 C LYS A 125 2.446 6.720 10.596 1.00 14.22 C ATOM 2051 O LYS A 125 2.191 6.366 11.752 1.00 52.53 O ATOM 2052 CB LYS A 125 0.392 7.095 9.161 1.00 55.35 C ATOM 2053 CG LYS A 125 -0.682 8.082 8.675 1.00 22.13 C ATOM 2054 CD LYS A 125 -1.825 7.394 7.898 1.00 44.50 C ATOM 2055 CE LYS A 125 -3.002 8.339 7.628 1.00 42.22 C ATOM 2056 NZ LYS A 125 -3.679 8.757 8.887 1.00 21.13 N ATOM 0 H LYS A 125 2.189 8.371 7.964 1.00 13.43 H new ATOM 0 HA LYS A 125 1.188 8.451 10.654 1.00 30.13 H new ATOM 0 HB2 LYS A 125 0.775 6.538 8.306 1.00 55.35 H new ATOM 0 HB3 LYS A 125 -0.070 6.371 9.832 1.00 55.35 H new ATOM 0 HG2 LYS A 125 -1.099 8.609 9.533 1.00 22.13 H new ATOM 0 HG3 LYS A 125 -0.216 8.832 8.036 1.00 22.13 H new ATOM 0 HD2 LYS A 125 -1.441 7.017 6.950 1.00 44.50 H new ATOM 0 HD3 LYS A 125 -2.178 6.532 8.464 1.00 44.50 H new ATOM 0 HE2 LYS A 125 -2.645 9.222 7.098 1.00 42.22 H new ATOM 0 HE3 LYS A 125 -3.722 7.845 6.975 1.00 42.22 H new ATOM 0 HZ1 LYS A 125 -4.572 9.238 8.658 1.00 21.13 H new ATOM 0 HZ2 LYS A 125 -3.877 7.919 9.470 1.00 21.13 H new ATOM 0 HZ3 LYS A 125 -3.061 9.407 9.414 1.00 21.13 H new ATOM 2070 N SER A 126 3.463 6.216 9.884 1.00 61.15 N ATOM 2071 CA SER A 126 4.394 5.210 10.419 1.00 44.02 C ATOM 2072 C SER A 126 5.495 5.848 11.277 1.00 54.32 C ATOM 2073 O SER A 126 6.239 5.141 11.968 1.00 3.23 O ATOM 2074 CB SER A 126 5.009 4.425 9.251 1.00 42.14 C ATOM 2075 OG SER A 126 5.651 5.272 8.328 1.00 52.04 O ATOM 0 H SER A 126 3.664 6.493 8.923 1.00 61.15 H new ATOM 0 HA SER A 126 3.837 4.534 11.068 1.00 44.02 H new ATOM 0 HB2 SER A 126 5.726 3.701 9.638 1.00 42.14 H new ATOM 0 HB3 SER A 126 4.228 3.860 8.742 1.00 42.14 H new ATOM 0 HG SER A 126 5.561 6.203 8.621 1.00 52.04 H new ATOM 2081 N GLY A 127 5.598 7.191 11.210 1.00 51.03 N ATOM 2082 CA GLY A 127 6.631 7.936 11.920 1.00 43.24 C ATOM 2083 C GLY A 127 7.955 7.964 11.168 1.00 11.43 C ATOM 2084 O GLY A 127 8.943 8.505 11.686 1.00 4.01 O ATOM 0 H GLY A 127 4.967 7.777 10.663 1.00 51.03 H new ATOM 0 HA2 GLY A 127 6.289 8.958 12.084 1.00 43.24 H new ATOM 0 HA3 GLY A 127 6.785 7.490 12.903 1.00 43.24 H new ATOM 2088 N SER A 128 7.989 7.385 9.942 1.00 33.11 N ATOM 2089 CA SER A 128 9.187 7.398 9.090 1.00 44.42 C ATOM 2090 C SER A 128 9.325 8.782 8.440 1.00 52.42 C ATOM 2091 O SER A 128 8.871 9.010 7.319 1.00 53.42 O ATOM 2092 CB SER A 128 9.145 6.258 8.034 1.00 71.22 C ATOM 2093 OG SER A 128 7.972 6.290 7.253 1.00 34.25 O ATOM 0 H SER A 128 7.192 6.903 9.527 1.00 33.11 H new ATOM 0 HA SER A 128 10.069 7.211 9.703 1.00 44.42 H new ATOM 0 HB2 SER A 128 10.015 6.339 7.382 1.00 71.22 H new ATOM 0 HB3 SER A 128 9.215 5.295 8.540 1.00 71.22 H new ATOM 0 HG SER A 128 7.235 5.882 7.753 1.00 34.25 H new ATOM 2099 N LEU A 129 9.874 9.719 9.218 1.00 3.22 N ATOM 2100 CA LEU A 129 10.093 11.114 8.811 1.00 33.43 C ATOM 2101 C LEU A 129 11.526 11.514 9.167 1.00 0.12 C ATOM 2102 O LEU A 129 12.376 11.714 8.291 1.00 13.13 O ATOM 2103 CB LEU A 129 9.065 12.057 9.513 1.00 72.02 C ATOM 2104 CG LEU A 129 7.637 12.078 8.896 1.00 4.34 C ATOM 2105 CD1 LEU A 129 6.684 12.970 9.716 1.00 21.24 C ATOM 2106 CD2 LEU A 129 7.701 12.526 7.415 1.00 75.22 C ATOM 0 H LEU A 129 10.186 9.527 10.170 1.00 3.22 H new ATOM 0 HA LEU A 129 9.948 11.208 7.735 1.00 33.43 H new ATOM 0 HB2 LEU A 129 8.984 11.761 10.559 1.00 72.02 H new ATOM 0 HB3 LEU A 129 9.462 13.072 9.498 1.00 72.02 H new ATOM 0 HG LEU A 129 7.233 11.066 8.929 1.00 4.34 H new ATOM 0 HD11 LEU A 129 5.695 12.963 9.258 1.00 21.24 H new ATOM 0 HD12 LEU A 129 6.615 12.589 10.735 1.00 21.24 H new ATOM 0 HD13 LEU A 129 7.067 13.990 9.736 1.00 21.24 H new ATOM 0 HD21 LEU A 129 6.696 12.537 6.994 1.00 75.22 H new ATOM 0 HD22 LEU A 129 8.130 13.526 7.356 1.00 75.22 H new ATOM 0 HD23 LEU A 129 8.323 11.831 6.851 1.00 75.22 H new ATOM 2118 N GLU A 130 11.777 11.584 10.479 1.00 13.54 N ATOM 2119 CA GLU A 130 13.041 12.051 11.050 1.00 4.15 C ATOM 2120 C GLU A 130 13.240 11.399 12.426 1.00 20.02 C ATOM 2121 O GLU A 130 12.288 11.303 13.210 1.00 52.22 O ATOM 2122 CB GLU A 130 13.026 13.607 11.155 1.00 54.03 C ATOM 2123 CG GLU A 130 11.865 14.193 12.002 1.00 12.01 C ATOM 2124 CD GLU A 130 11.749 15.724 11.915 1.00 12.40 C ATOM 2125 OE1 GLU A 130 12.562 16.428 12.542 1.00 0.31 O ATOM 2126 OE2 GLU A 130 10.850 16.235 11.208 1.00 0.21 O ATOM 0 H GLU A 130 11.093 11.312 11.185 1.00 13.54 H new ATOM 0 HA GLU A 130 13.874 11.766 10.408 1.00 4.15 H new ATOM 0 HB2 GLU A 130 13.972 13.937 11.584 1.00 54.03 H new ATOM 0 HB3 GLU A 130 12.969 14.024 10.150 1.00 54.03 H new ATOM 0 HG2 GLU A 130 10.926 13.747 11.674 1.00 12.01 H new ATOM 0 HG3 GLU A 130 12.007 13.907 13.044 1.00 12.01 H new ATOM 2133 N HIS A 131 14.460 10.913 12.689 1.00 44.21 N ATOM 2134 CA HIS A 131 14.847 10.345 13.994 1.00 4.41 C ATOM 2135 C HIS A 131 16.378 10.442 14.129 1.00 55.54 C ATOM 2136 O HIS A 131 17.036 9.630 14.791 1.00 11.35 O ATOM 2137 CB HIS A 131 14.326 8.881 14.143 1.00 33.32 C ATOM 2138 CG HIS A 131 14.415 8.341 15.552 1.00 14.43 C ATOM 2139 ND1 HIS A 131 13.708 8.921 16.582 1.00 14.54 N ATOM 2140 CD2 HIS A 131 15.164 7.323 16.055 1.00 45.33 C ATOM 2141 CE1 HIS A 131 14.040 8.255 17.670 1.00 61.04 C ATOM 2142 NE2 HIS A 131 14.918 7.280 17.400 1.00 34.55 N ATOM 0 H HIS A 131 15.213 10.901 12.001 1.00 44.21 H new ATOM 0 HA HIS A 131 14.387 10.911 14.804 1.00 4.41 H new ATOM 0 HB2 HIS A 131 13.288 8.840 13.813 1.00 33.32 H new ATOM 0 HB3 HIS A 131 14.898 8.233 13.479 1.00 33.32 H new ATOM 0 HD2 HIS A 131 15.825 6.674 15.500 1.00 45.33 H new ATOM 0 HE1 HIS A 131 13.653 8.469 18.655 1.00 61.04 H new ATOM 0 HE2 HIS A 131 15.326 6.629 18.071 1.00 34.55 H new ATOM 2150 N HIS A 132 16.928 11.502 13.516 1.00 30.23 N ATOM 2151 CA HIS A 132 18.371 11.758 13.446 1.00 35.22 C ATOM 2152 C HIS A 132 18.832 12.403 14.765 1.00 61.10 C ATOM 2153 O HIS A 132 19.071 13.617 14.841 1.00 32.24 O ATOM 2154 CB HIS A 132 18.686 12.663 12.225 1.00 30.14 C ATOM 2155 CG HIS A 132 18.033 12.205 10.945 1.00 72.04 C ATOM 2156 ND1 HIS A 132 16.796 12.686 10.569 1.00 44.10 N ATOM 2157 CD2 HIS A 132 18.452 11.299 10.028 1.00 44.22 C ATOM 2158 CE1 HIS A 132 16.502 12.077 9.440 1.00 61.24 C ATOM 2159 NE2 HIS A 132 17.472 11.229 9.073 1.00 0.11 N ATOM 0 H HIS A 132 16.371 12.216 13.048 1.00 30.23 H new ATOM 0 HA HIS A 132 18.915 10.823 13.313 1.00 35.22 H new ATOM 0 HB2 HIS A 132 18.361 13.680 12.444 1.00 30.14 H new ATOM 0 HB3 HIS A 132 19.766 12.698 12.079 1.00 30.14 H new ATOM 0 HD2 HIS A 132 19.377 10.742 10.046 1.00 44.22 H new ATOM 0 HE1 HIS A 132 15.593 12.240 8.880 1.00 61.24 H new ATOM 0 HE2 HIS A 132 17.480 10.642 8.239 1.00 0.11 H new ATOM 2167 N HIS A 133 18.904 11.568 15.812 1.00 20.52 N ATOM 2168 CA HIS A 133 19.262 11.990 17.172 1.00 24.30 C ATOM 2169 C HIS A 133 20.782 12.216 17.271 1.00 70.02 C ATOM 2170 O HIS A 133 21.530 11.359 17.750 1.00 22.42 O ATOM 2171 CB HIS A 133 18.730 10.960 18.229 1.00 52.23 C ATOM 2172 CG HIS A 133 19.027 9.499 17.934 1.00 54.14 C ATOM 2173 ND1 HIS A 133 18.127 8.658 17.309 1.00 23.10 N ATOM 2174 CD2 HIS A 133 20.104 8.721 18.226 1.00 75.42 C ATOM 2175 CE1 HIS A 133 18.640 7.444 17.228 1.00 73.44 C ATOM 2176 NE2 HIS A 133 19.835 7.455 17.775 1.00 23.54 N ATOM 0 H HIS A 133 18.713 10.569 15.736 1.00 20.52 H new ATOM 0 HA HIS A 133 18.780 12.941 17.397 1.00 24.30 H new ATOM 0 HB2 HIS A 133 19.158 11.210 19.200 1.00 52.23 H new ATOM 0 HB3 HIS A 133 17.650 11.082 18.316 1.00 52.23 H new ATOM 0 HD1 HIS A 133 17.208 8.933 16.963 1.00 23.10 H new ATOM 0 HD2 HIS A 133 21.007 9.043 18.723 1.00 75.42 H new ATOM 0 HE1 HIS A 133 18.158 6.585 16.786 1.00 73.44 H new ATOM 2185 N HIS A 134 21.224 13.382 16.764 1.00 65.41 N ATOM 2186 CA HIS A 134 22.652 13.760 16.696 1.00 73.21 C ATOM 2187 C HIS A 134 23.259 13.856 18.112 1.00 5.40 C ATOM 2188 O HIS A 134 24.423 13.511 18.338 1.00 63.21 O ATOM 2189 CB HIS A 134 22.800 15.097 15.931 1.00 71.20 C ATOM 2190 CG HIS A 134 24.224 15.505 15.656 1.00 64.24 C ATOM 2191 ND1 HIS A 134 24.833 16.582 16.258 1.00 1.33 N ATOM 2192 CD2 HIS A 134 25.153 14.966 14.835 1.00 15.24 C ATOM 2193 CE1 HIS A 134 26.066 16.695 15.808 1.00 52.40 C ATOM 2194 NE2 HIS A 134 26.288 15.727 14.943 1.00 21.34 N ATOM 0 H HIS A 134 20.598 14.094 16.387 1.00 65.41 H new ATOM 0 HA HIS A 134 23.201 12.988 16.156 1.00 73.21 H new ATOM 0 HB2 HIS A 134 22.268 15.019 14.983 1.00 71.20 H new ATOM 0 HB3 HIS A 134 22.314 15.886 16.506 1.00 71.20 H new ATOM 0 HD2 HIS A 134 25.024 14.095 14.209 1.00 15.24 H new ATOM 0 HE1 HIS A 134 26.776 17.455 16.100 1.00 52.40 H new ATOM 0 HE2 HIS A 134 27.160 15.570 14.437 1.00 21.34 H new ATOM 2203 N HIS A 135 22.432 14.329 19.044 1.00 75.33 N ATOM 2204 CA HIS A 135 22.716 14.309 20.481 1.00 61.04 C ATOM 2205 C HIS A 135 21.393 14.169 21.229 1.00 72.14 C ATOM 2206 O HIS A 135 21.250 13.288 22.083 1.00 32.14 O ATOM 2207 CB HIS A 135 23.458 15.591 20.933 1.00 63.52 C ATOM 2208 CG HIS A 135 23.670 15.676 22.426 1.00 51.33 C ATOM 2209 ND1 HIS A 135 22.825 16.370 23.269 1.00 43.50 N ATOM 2210 CD2 HIS A 135 24.618 15.129 23.226 1.00 75.01 C ATOM 2211 CE1 HIS A 135 23.248 16.251 24.504 1.00 1.13 C ATOM 2212 NE2 HIS A 135 24.330 15.501 24.508 1.00 23.43 N ATOM 0 H HIS A 135 21.528 14.745 18.818 1.00 75.33 H new ATOM 0 HA HIS A 135 23.370 13.466 20.705 1.00 61.04 H new ATOM 0 HB2 HIS A 135 24.426 15.634 20.435 1.00 63.52 H new ATOM 0 HB3 HIS A 135 22.891 16.463 20.605 1.00 63.52 H new ATOM 0 HD2 HIS A 135 25.447 14.514 22.909 1.00 75.01 H new ATOM 0 HE1 HIS A 135 22.786 16.694 25.374 1.00 1.13 H new ATOM 0 HE2 HIS A 135 24.867 15.240 25.335 1.00 23.43 H new ATOM 2221 N HIS A 136 20.443 15.067 20.885 1.00 3.13 N ATOM 2222 CA HIS A 136 19.103 15.140 21.498 1.00 20.50 C ATOM 2223 C HIS A 136 19.252 15.372 23.038 1.00 52.33 C ATOM 2224 O HIS A 136 19.622 16.496 23.434 1.00 44.53 O ATOM 2225 CB HIS A 136 18.265 13.869 21.122 1.00 11.44 C ATOM 2226 CG HIS A 136 16.831 13.871 21.599 1.00 10.45 C ATOM 2227 ND1 HIS A 136 16.464 13.467 22.863 1.00 42.11 N ATOM 2228 CD2 HIS A 136 15.681 14.224 20.981 1.00 5.13 C ATOM 2229 CE1 HIS A 136 15.159 13.555 22.994 1.00 72.04 C ATOM 2230 NE2 HIS A 136 14.659 14.015 21.868 1.00 61.24 N ATOM 2231 OXT HIS A 136 19.027 14.438 23.836 1.00 37.79 O ATOM 0 H HIS A 136 20.591 15.771 20.162 1.00 3.13 H new ATOM 0 HA HIS A 136 18.543 15.989 21.105 1.00 20.50 H new ATOM 0 HB2 HIS A 136 18.269 13.761 20.037 1.00 11.44 H new ATOM 0 HB3 HIS A 136 18.765 12.991 21.532 1.00 11.44 H new ATOM 0 HD1 HIS A 136 17.107 13.148 23.588 1.00 42.11 H new ATOM 0 HD2 HIS A 136 15.586 14.601 19.973 1.00 5.13 H new ATOM 0 HE1 HIS A 136 14.594 13.294 23.876 1.00 72.04 H new TER 2240 HIS A 136