USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1366 hydrogens (28 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 145 SER OG : rot 125:sc= 1.28 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= 0.0208 USER MOD Set 2.1: A 86 ASN : amide:sc= 0.346 K(o=2,f=-6!) USER MOD Set 2.2: A 89 SER OG : rot -40:sc= 1.67 USER MOD Set 3.1: A 72 MET CE :methyl -119:sc= 0 (180deg=0) USER MOD Set 3.2: A 99 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 4.1: A 32 TYR OH : rot 102:sc= 0.0718 USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= 0.068 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -165:sc= 1.65 (180deg=0.347) USER MOD Set 5.2: A 58 THR OG1 : rot -82:sc= 2.16 USER MOD Set 6.1: A 1 MET CE :methyl 166:sc=-0.000839 (180deg=-0.358) USER MOD Set 6.2: A 43 GLN : amide:sc= 0 X(o=-0.00084,f=-0.0063) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0.962 USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 2.19 (180deg=-1.16) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.174 K(o=0.17,f=-0.39) USER MOD Single : A 25 GLN : amide:sc= -1.94 K(o=-1.9,f=-0.032) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 27 HIS : no HD1:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 35 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 37:sc= 0.55 USER MOD Single : A 61 GLN : amide:sc=-0.00757 X(o=-0.0076,f=-0.42) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 67 MET CE :methyl 169:sc= 0 (180deg=-0.158) USER MOD Single : A 70 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.019) USER MOD Single : A 71 TYR OH : rot 113:sc= 1.05 USER MOD Single : A 74 THR OG1 : rot 160:sc= -1.72! USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0258 K(o=-0.026,f=-2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= -0.0666 (180deg=-0.356) USER MOD Single : A 94 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 95 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.1!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= 0.922 (180deg=0.451) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 0.617 (180deg=-0.212) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -173:sc= -0.0802 (180deg=-0.147) USER MOD Single : A 116 ASN : amide:sc= -0.0743 K(o=-0.074,f=-7.4!) USER MOD Single : A 117 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.824) USER MOD Single : A 118 CYS SG : rot 180:sc= -0.0495 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 128 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.348) USER MOD Single : A 129 GLN : amide:sc= -0.886 K(o=-0.89,f=-1.6) USER MOD Single : A 131 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.73) USER MOD Single : A 136 SER OG : rot 72:sc= 0.56 USER MOD Single : A 137 TYR OH : rot 30:sc= -0.0135 USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 147 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.00106) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 165 LYS NZ :NH3+ 144:sc= 1.29 (180deg=0.309) USER MOD Single : A 166 HIS : no HE2:sc= 0.977 K(o=0.98,f=-5.9!) USER MOD Single : A 167 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.24) USER MOD Single : A 169 LYS NZ :NH3+ 156:sc= -0.155 (180deg=-0.686) USER MOD Single : A 201 GDP O2' : rot -159:sc= 1.05 USER MOD Single : A 201 GDP O3' : rot 133:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.560 9.548 8.883 1.00 0.55 N ATOM 2 CA MET A 1 18.535 9.661 7.819 1.00 0.44 C ATOM 3 C MET A 1 18.572 8.426 6.927 1.00 0.43 C ATOM 4 O MET A 1 19.471 8.272 6.096 1.00 0.60 O ATOM 5 CB MET A 1 18.771 10.922 6.979 1.00 0.50 C ATOM 6 CG MET A 1 17.592 11.309 6.093 1.00 0.53 C ATOM 7 SD MET A 1 17.852 12.878 5.241 1.00 1.04 S ATOM 8 CE MET A 1 16.348 12.988 4.275 1.00 1.48 C ATOM 0 H1 MET A 1 19.528 10.394 9.487 1.00 0.55 H new ATOM 0 H2 MET A 1 19.370 8.704 9.460 1.00 0.55 H new ATOM 0 H3 MET A 1 20.502 9.467 8.450 1.00 0.55 H new ATOM 0 HA MET A 1 17.553 9.734 8.287 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.998 11.753 7.647 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.649 10.768 6.351 1.00 0.50 H new ATOM 0 HG2 MET A 1 17.422 10.523 5.357 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.691 11.375 6.702 1.00 0.53 H new ATOM 0 HE1 MET A 1 16.237 14.001 3.889 1.00 1.48 H new ATOM 0 HE2 MET A 1 16.398 12.286 3.443 1.00 1.48 H new ATOM 0 HE3 MET A 1 15.492 12.744 4.905 1.00 1.48 H new ATOM 20 N THR A 2 17.602 7.543 7.113 1.00 0.36 N ATOM 21 CA THR A 2 17.517 6.316 6.334 1.00 0.41 C ATOM 22 C THR A 2 16.390 6.404 5.307 1.00 0.33 C ATOM 23 O THR A 2 15.345 7.004 5.568 1.00 0.35 O ATOM 24 CB THR A 2 17.288 5.101 7.255 1.00 0.57 C ATOM 25 OG1 THR A 2 18.218 5.132 8.348 1.00 1.04 O ATOM 26 CG2 THR A 2 17.437 3.793 6.490 1.00 0.91 C ATOM 0 H THR A 2 16.858 7.655 7.802 1.00 0.36 H new ATOM 0 HA THR A 2 18.463 6.188 5.808 1.00 0.41 H new ATOM 0 HB THR A 2 16.270 5.157 7.640 1.00 0.57 H new ATOM 0 HG1 THR A 2 18.065 4.358 8.930 1.00 1.04 H new ATOM 0 HG21 THR A 2 17.270 2.955 7.166 1.00 0.91 H new ATOM 0 HG22 THR A 2 16.706 3.759 5.682 1.00 0.91 H new ATOM 0 HG23 THR A 2 18.442 3.728 6.073 1.00 0.91 H new ATOM 34 N GLU A 3 16.612 5.813 4.142 1.00 0.31 N ATOM 35 CA GLU A 3 15.625 5.826 3.069 1.00 0.26 C ATOM 36 C GLU A 3 14.744 4.581 3.128 1.00 0.24 C ATOM 37 O GLU A 3 15.235 3.469 3.328 1.00 0.37 O ATOM 38 CB GLU A 3 16.336 5.904 1.714 1.00 0.37 C ATOM 39 CG GLU A 3 15.401 5.988 0.515 1.00 0.42 C ATOM 40 CD GLU A 3 16.116 5.732 -0.796 1.00 0.62 C ATOM 41 OE1 GLU A 3 17.316 6.069 -0.902 1.00 1.15 O ATOM 42 OE2 GLU A 3 15.483 5.198 -1.736 1.00 1.27 O ATOM 0 H GLU A 3 17.472 5.315 3.914 1.00 0.31 H new ATOM 0 HA GLU A 3 14.987 6.701 3.193 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.990 6.776 1.711 1.00 0.37 H new ATOM 0 HB3 GLU A 3 16.973 5.027 1.601 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.596 5.263 0.634 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.939 6.975 0.487 1.00 0.42 H new ATOM 49 N TYR A 4 13.443 4.779 2.969 1.00 0.19 N ATOM 50 CA TYR A 4 12.486 3.681 2.979 1.00 0.25 C ATOM 51 C TYR A 4 11.719 3.670 1.666 1.00 0.21 C ATOM 52 O TYR A 4 11.031 4.637 1.345 1.00 0.21 O ATOM 53 CB TYR A 4 11.506 3.830 4.144 1.00 0.37 C ATOM 54 CG TYR A 4 12.084 3.463 5.495 1.00 0.53 C ATOM 55 CD1 TYR A 4 11.713 2.285 6.128 1.00 0.91 C ATOM 56 CD2 TYR A 4 12.988 4.299 6.144 1.00 0.78 C ATOM 57 CE1 TYR A 4 12.222 1.949 7.370 1.00 1.06 C ATOM 58 CE2 TYR A 4 13.505 3.967 7.381 1.00 0.93 C ATOM 59 CZ TYR A 4 13.117 2.792 7.990 1.00 0.91 C ATOM 60 OH TYR A 4 13.621 2.467 9.230 1.00 1.11 O ATOM 0 H TYR A 4 13.023 5.698 2.830 1.00 0.19 H new ATOM 0 HA TYR A 4 13.028 2.743 3.100 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.156 4.862 4.180 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.634 3.204 3.953 1.00 0.37 H new ATOM 0 HD1 TYR A 4 11.015 1.619 5.643 1.00 0.91 H new ATOM 0 HD2 TYR A 4 13.290 5.222 5.673 1.00 0.78 H new ATOM 0 HE1 TYR A 4 11.919 1.031 7.851 1.00 1.06 H new ATOM 0 HE2 TYR A 4 14.210 4.624 7.869 1.00 0.93 H new ATOM 0 HH TYR A 4 14.240 3.167 9.525 1.00 1.11 H new ATOM 70 N LYS A 5 11.846 2.595 0.903 1.00 0.24 N ATOM 71 CA LYS A 5 11.166 2.494 -0.380 1.00 0.26 C ATOM 72 C LYS A 5 9.846 1.753 -0.227 1.00 0.24 C ATOM 73 O LYS A 5 9.821 0.536 -0.023 1.00 0.29 O ATOM 74 CB LYS A 5 12.062 1.781 -1.394 1.00 0.40 C ATOM 75 CG LYS A 5 13.475 2.347 -1.452 1.00 0.81 C ATOM 76 CD LYS A 5 14.224 1.880 -2.688 1.00 0.65 C ATOM 77 CE LYS A 5 13.785 2.643 -3.928 1.00 0.62 C ATOM 78 NZ LYS A 5 14.064 4.104 -3.818 1.00 0.71 N ATOM 0 H LYS A 5 12.412 1.782 1.149 1.00 0.24 H new ATOM 0 HA LYS A 5 10.955 3.500 -0.743 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.112 0.722 -1.142 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.609 1.852 -2.383 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.430 3.436 -1.445 1.00 0.81 H new ATOM 0 HG3 LYS A 5 14.024 2.045 -0.560 1.00 0.81 H new ATOM 0 HD2 LYS A 5 15.295 2.014 -2.538 1.00 0.65 H new ATOM 0 HD3 LYS A 5 14.054 0.814 -2.837 1.00 0.65 H new ATOM 0 HE2 LYS A 5 14.299 2.241 -4.801 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.718 2.490 -4.088 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 13.166 4.628 -3.791 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 14.600 4.290 -2.946 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.621 4.414 -4.640 1.00 0.71 H new ATOM 92 N LEU A 6 8.754 2.494 -0.322 1.00 0.26 N ATOM 93 CA LEU A 6 7.418 1.922 -0.189 1.00 0.33 C ATOM 94 C LEU A 6 6.603 2.136 -1.462 1.00 0.27 C ATOM 95 O LEU A 6 6.677 3.187 -2.096 1.00 0.29 O ATOM 96 CB LEU A 6 6.685 2.549 1.003 1.00 0.45 C ATOM 97 CG LEU A 6 7.529 2.733 2.265 1.00 0.70 C ATOM 98 CD1 LEU A 6 7.968 4.182 2.403 1.00 1.39 C ATOM 99 CD2 LEU A 6 6.762 2.285 3.502 1.00 1.08 C ATOM 0 H LEU A 6 8.764 3.500 -0.492 1.00 0.26 H new ATOM 0 HA LEU A 6 7.528 0.851 -0.021 1.00 0.33 H new ATOM 0 HB2 LEU A 6 6.298 3.522 0.700 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.825 1.926 1.248 1.00 0.45 H new ATOM 0 HG LEU A 6 8.418 2.109 2.175 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.568 4.296 3.306 1.00 1.39 H new ATOM 0 HD12 LEU A 6 8.562 4.466 1.535 1.00 1.39 H new ATOM 0 HD13 LEU A 6 7.089 4.824 2.467 1.00 1.39 H new ATOM 0 HD21 LEU A 6 7.384 2.426 4.386 1.00 1.08 H new ATOM 0 HD22 LEU A 6 5.852 2.877 3.600 1.00 1.08 H new ATOM 0 HD23 LEU A 6 6.501 1.231 3.406 1.00 1.08 H new ATOM 111 N VAL A 7 5.816 1.139 -1.826 1.00 0.26 N ATOM 112 CA VAL A 7 4.991 1.228 -3.021 1.00 0.26 C ATOM 113 C VAL A 7 3.527 0.987 -2.679 1.00 0.30 C ATOM 114 O VAL A 7 3.195 0.083 -1.906 1.00 0.39 O ATOM 115 CB VAL A 7 5.429 0.223 -4.111 1.00 0.32 C ATOM 116 CG1 VAL A 7 6.305 0.910 -5.147 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.163 -0.962 -3.505 1.00 0.74 C ATOM 0 H VAL A 7 5.730 0.261 -1.314 1.00 0.26 H new ATOM 0 HA VAL A 7 5.120 2.236 -3.416 1.00 0.26 H new ATOM 0 HB VAL A 7 4.530 -0.151 -4.601 1.00 0.32 H new ATOM 0 HG11 VAL A 7 6.604 0.188 -5.907 1.00 0.81 H new ATOM 0 HG12 VAL A 7 5.747 1.720 -5.616 1.00 0.81 H new ATOM 0 HG13 VAL A 7 7.193 1.315 -4.662 1.00 0.81 H new ATOM 0 HG21 VAL A 7 6.458 -1.651 -4.297 1.00 0.74 H new ATOM 0 HG22 VAL A 7 7.051 -0.610 -2.980 1.00 0.74 H new ATOM 0 HG23 VAL A 7 5.507 -1.476 -2.803 1.00 0.74 H new ATOM 127 N VAL A 8 2.657 1.813 -3.233 1.00 0.28 N ATOM 128 CA VAL A 8 1.232 1.685 -2.998 1.00 0.33 C ATOM 129 C VAL A 8 0.567 1.078 -4.219 1.00 0.37 C ATOM 130 O VAL A 8 0.585 1.664 -5.303 1.00 0.41 O ATOM 131 CB VAL A 8 0.576 3.047 -2.678 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.917 2.885 -2.431 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.242 3.692 -1.478 1.00 0.37 C ATOM 0 H VAL A 8 2.915 2.582 -3.851 1.00 0.28 H new ATOM 0 HA VAL A 8 1.095 1.036 -2.133 1.00 0.33 H new ATOM 0 HB VAL A 8 0.712 3.698 -3.542 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.356 3.857 -2.208 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.390 2.469 -3.320 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -1.075 2.213 -1.588 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.766 4.650 -1.269 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.140 3.039 -0.611 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.299 3.851 -1.690 1.00 0.37 H new ATOM 143 N VAL A 9 0.007 -0.108 -4.048 1.00 0.40 N ATOM 144 CA VAL A 9 -0.665 -0.799 -5.130 1.00 0.46 C ATOM 145 C VAL A 9 -2.152 -0.915 -4.837 1.00 0.52 C ATOM 146 O VAL A 9 -2.601 -0.628 -3.726 1.00 0.70 O ATOM 147 CB VAL A 9 -0.077 -2.203 -5.374 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.327 -2.089 -5.951 1.00 0.51 C ATOM 149 CG2 VAL A 9 -0.074 -3.028 -4.090 1.00 0.59 C ATOM 0 H VAL A 9 0.006 -0.614 -3.162 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.511 -0.209 -6.033 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.709 -2.721 -6.096 1.00 0.49 H new ATOM 0 HG11 VAL A 9 1.733 -3.086 -6.120 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.289 -1.548 -6.897 1.00 0.51 H new ATOM 0 HG13 VAL A 9 1.966 -1.551 -5.251 1.00 0.51 H new ATOM 0 HG21 VAL A 9 0.346 -4.013 -4.292 1.00 0.59 H new ATOM 0 HG22 VAL A 9 0.529 -2.524 -3.335 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -1.095 -3.137 -3.725 1.00 0.59 H new ATOM 159 N GLY A 10 -2.914 -1.328 -5.839 1.00 0.44 N ATOM 160 CA GLY A 10 -4.342 -1.468 -5.673 1.00 0.51 C ATOM 161 C GLY A 10 -5.086 -1.260 -6.970 1.00 0.51 C ATOM 162 O GLY A 10 -4.501 -0.822 -7.966 1.00 0.53 O ATOM 0 H GLY A 10 -2.565 -1.569 -6.767 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.566 -2.461 -5.282 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.693 -0.748 -4.934 1.00 0.51 H new ATOM 166 N ALA A 11 -6.374 -1.567 -6.951 1.00 0.52 N ATOM 167 CA ALA A 11 -7.225 -1.429 -8.128 1.00 0.53 C ATOM 168 C ALA A 11 -7.424 0.036 -8.513 1.00 0.50 C ATOM 169 O ALA A 11 -7.244 0.939 -7.694 1.00 0.50 O ATOM 170 CB ALA A 11 -8.567 -2.107 -7.885 1.00 0.58 C ATOM 0 H ALA A 11 -6.859 -1.917 -6.125 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.724 -1.919 -8.963 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -9.195 -1.998 -8.769 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -8.408 -3.166 -7.681 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -9.060 -1.643 -7.031 1.00 0.58 H new ATOM 176 N GLY A 12 -7.798 0.258 -9.763 1.00 0.55 N ATOM 177 CA GLY A 12 -8.021 1.606 -10.252 1.00 0.54 C ATOM 178 C GLY A 12 -9.256 2.249 -9.661 1.00 0.54 C ATOM 179 O GLY A 12 -10.376 1.971 -10.101 1.00 0.80 O ATOM 0 H GLY A 12 -7.953 -0.476 -10.454 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -7.151 2.220 -10.020 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -8.114 1.583 -11.338 1.00 0.54 H new ATOM 183 N GLY A 13 -9.055 3.091 -8.654 1.00 0.34 N ATOM 184 CA GLY A 13 -10.169 3.774 -8.028 1.00 0.40 C ATOM 185 C GLY A 13 -10.229 3.565 -6.528 1.00 0.40 C ATOM 186 O GLY A 13 -11.195 3.969 -5.879 1.00 0.42 O ATOM 0 H GLY A 13 -8.140 3.312 -8.261 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -10.097 4.841 -8.237 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -11.099 3.424 -8.475 1.00 0.40 H new ATOM 190 N VAL A 14 -9.203 2.940 -5.963 1.00 0.39 N ATOM 191 CA VAL A 14 -9.182 2.700 -4.526 1.00 0.41 C ATOM 192 C VAL A 14 -8.761 3.960 -3.777 1.00 0.44 C ATOM 193 O VAL A 14 -9.318 4.280 -2.730 1.00 0.57 O ATOM 194 CB VAL A 14 -8.273 1.513 -4.136 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.905 0.195 -4.559 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.885 1.657 -4.739 1.00 0.43 C ATOM 0 H VAL A 14 -8.387 2.595 -6.468 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.198 2.434 -4.236 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.167 1.517 -3.051 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.251 -0.630 -4.276 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.870 0.079 -4.065 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -9.048 0.190 -5.640 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.271 0.806 -4.445 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.962 1.691 -5.826 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.426 2.577 -4.379 1.00 0.43 H new ATOM 206 N GLY A 15 -7.797 4.689 -4.334 1.00 0.39 N ATOM 207 CA GLY A 15 -7.341 5.914 -3.704 1.00 0.42 C ATOM 208 C GLY A 15 -5.840 5.962 -3.486 1.00 0.43 C ATOM 209 O GLY A 15 -5.371 6.703 -2.623 1.00 0.49 O ATOM 0 H GLY A 15 -7.326 4.453 -5.207 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -7.638 6.762 -4.321 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -7.843 6.028 -2.743 1.00 0.42 H new ATOM 213 N LYS A 16 -5.087 5.212 -4.296 1.00 0.41 N ATOM 214 CA LYS A 16 -3.624 5.159 -4.175 1.00 0.45 C ATOM 215 C LYS A 16 -3.007 6.557 -4.144 1.00 0.47 C ATOM 216 O LYS A 16 -2.245 6.887 -3.240 1.00 0.58 O ATOM 217 CB LYS A 16 -3.007 4.356 -5.330 1.00 0.46 C ATOM 218 CG LYS A 16 -3.629 2.982 -5.521 1.00 0.65 C ATOM 219 CD LYS A 16 -2.789 2.102 -6.438 1.00 0.79 C ATOM 220 CE LYS A 16 -3.226 2.215 -7.892 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.486 1.267 -8.768 1.00 0.81 N ATOM 0 H LYS A 16 -5.466 4.632 -5.044 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.403 4.662 -3.230 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.114 4.925 -6.254 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -1.938 4.239 -5.149 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.740 2.495 -4.552 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.630 3.091 -5.939 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -1.740 2.385 -6.351 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -2.867 1.064 -6.115 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -4.296 2.019 -7.966 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.064 3.235 -8.242 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -2.617 1.540 -9.763 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.474 1.294 -8.532 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -2.850 0.304 -8.622 1.00 0.81 H new ATOM 235 N SER A 17 -3.353 7.378 -5.130 1.00 0.40 N ATOM 236 CA SER A 17 -2.822 8.737 -5.213 1.00 0.41 C ATOM 237 C SER A 17 -3.302 9.604 -4.046 1.00 0.40 C ATOM 238 O SER A 17 -2.532 10.378 -3.483 1.00 0.58 O ATOM 239 CB SER A 17 -3.229 9.377 -6.542 1.00 0.43 C ATOM 240 OG SER A 17 -3.299 8.405 -7.586 1.00 0.44 O ATOM 0 H SER A 17 -3.996 7.129 -5.881 1.00 0.40 H new ATOM 0 HA SER A 17 -1.735 8.674 -5.156 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.197 9.865 -6.431 1.00 0.43 H new ATOM 0 HB3 SER A 17 -2.510 10.151 -6.811 1.00 0.43 H new ATOM 246 N ALA A 18 -4.571 9.444 -3.679 1.00 0.41 N ATOM 247 CA ALA A 18 -5.165 10.220 -2.596 1.00 0.40 C ATOM 248 C ALA A 18 -4.446 9.977 -1.273 1.00 0.41 C ATOM 249 O ALA A 18 -4.181 10.921 -0.525 1.00 0.43 O ATOM 250 CB ALA A 18 -6.645 9.890 -2.467 1.00 0.43 C ATOM 0 H ALA A 18 -5.209 8.781 -4.118 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.056 11.277 -2.840 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.079 10.475 -1.656 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.154 10.131 -3.400 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -6.764 8.828 -2.252 1.00 0.43 H new ATOM 256 N LEU A 19 -4.122 8.718 -0.999 1.00 0.44 N ATOM 257 CA LEU A 19 -3.432 8.343 0.235 1.00 0.50 C ATOM 258 C LEU A 19 -2.083 9.047 0.353 1.00 0.48 C ATOM 259 O LEU A 19 -1.730 9.564 1.415 1.00 0.51 O ATOM 260 CB LEU A 19 -3.219 6.827 0.289 1.00 0.60 C ATOM 261 CG LEU A 19 -4.489 5.977 0.232 1.00 0.76 C ATOM 262 CD1 LEU A 19 -4.129 4.507 0.079 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.355 6.202 1.468 1.00 0.79 C ATOM 0 H LEU A 19 -4.327 7.934 -1.618 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.061 8.653 1.069 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -2.574 6.539 -0.541 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -2.683 6.586 1.207 1.00 0.60 H new ATOM 0 HG LEU A 19 -5.071 6.283 -0.637 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -5.041 3.911 0.040 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -3.563 4.365 -0.841 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -3.525 4.190 0.929 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.251 5.585 1.401 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -4.793 5.929 2.361 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -5.641 7.252 1.526 1.00 0.79 H new ATOM 275 N THR A 20 -1.334 9.062 -0.738 1.00 0.49 N ATOM 276 CA THR A 20 -0.023 9.691 -0.762 1.00 0.54 C ATOM 277 C THR A 20 -0.119 11.213 -0.603 1.00 0.49 C ATOM 278 O THR A 20 0.534 11.793 0.270 1.00 0.50 O ATOM 279 CB THR A 20 0.721 9.343 -2.068 1.00 0.64 C ATOM 280 OG1 THR A 20 0.595 7.937 -2.334 1.00 0.89 O ATOM 281 CG2 THR A 20 2.193 9.710 -1.979 1.00 0.74 C ATOM 0 H THR A 20 -1.614 8.643 -1.625 1.00 0.49 H new ATOM 0 HA THR A 20 0.540 9.300 0.086 1.00 0.54 H new ATOM 0 HB THR A 20 0.273 9.919 -2.878 1.00 0.64 H new ATOM 0 HG1 THR A 20 1.067 7.718 -3.165 1.00 0.89 H new ATOM 0 HG21 THR A 20 2.689 9.452 -2.915 1.00 0.74 H new ATOM 0 HG22 THR A 20 2.291 10.781 -1.799 1.00 0.74 H new ATOM 0 HG23 THR A 20 2.656 9.161 -1.159 1.00 0.74 H new ATOM 289 N ILE A 21 -0.954 11.851 -1.417 1.00 0.48 N ATOM 290 CA ILE A 21 -1.112 13.307 -1.370 1.00 0.50 C ATOM 291 C ILE A 21 -1.598 13.780 0.004 1.00 0.43 C ATOM 292 O ILE A 21 -1.254 14.880 0.450 1.00 0.43 O ATOM 293 CB ILE A 21 -2.084 13.801 -2.464 1.00 0.59 C ATOM 294 CG1 ILE A 21 -1.557 13.420 -3.849 1.00 0.63 C ATOM 295 CG2 ILE A 21 -2.264 15.309 -2.379 1.00 0.79 C ATOM 296 CD1 ILE A 21 -2.541 13.665 -4.973 1.00 0.76 C ATOM 0 H ILE A 21 -1.532 11.387 -2.117 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.127 13.736 -1.554 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.051 13.323 -2.305 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.647 13.985 -4.048 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.283 12.365 -3.844 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -2.952 15.638 -3.158 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -2.669 15.573 -1.402 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -1.300 15.799 -2.516 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -2.091 13.369 -5.921 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -3.443 13.079 -4.801 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -2.798 14.724 -5.008 1.00 0.76 H new ATOM 308 N GLN A 22 -2.385 12.944 0.674 1.00 0.41 N ATOM 309 CA GLN A 22 -2.910 13.273 1.999 1.00 0.37 C ATOM 310 C GLN A 22 -1.777 13.480 3.002 1.00 0.37 C ATOM 311 O GLN A 22 -1.901 14.263 3.943 1.00 0.46 O ATOM 312 CB GLN A 22 -3.829 12.156 2.495 1.00 0.40 C ATOM 313 CG GLN A 22 -5.300 12.383 2.192 1.00 0.43 C ATOM 314 CD GLN A 22 -6.030 13.105 3.312 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.456 13.939 4.012 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.302 12.780 3.499 1.00 0.41 N ATOM 0 H GLN A 22 -2.675 12.032 0.322 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.476 14.201 1.914 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -3.517 11.215 2.042 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -3.703 12.048 3.572 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -5.391 12.962 1.273 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -5.781 11.422 2.012 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -7.744 12.084 2.899 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.838 13.226 4.243 1.00 0.41 H new ATOM 325 N LEU A 23 -0.667 12.787 2.786 1.00 0.41 N ATOM 326 CA LEU A 23 0.479 12.884 3.676 1.00 0.44 C ATOM 327 C LEU A 23 1.497 13.901 3.162 1.00 0.40 C ATOM 328 O LEU A 23 2.135 14.604 3.945 1.00 0.49 O ATOM 329 CB LEU A 23 1.153 11.519 3.826 1.00 0.54 C ATOM 330 CG LEU A 23 2.298 11.469 4.842 1.00 1.06 C ATOM 331 CD1 LEU A 23 1.758 11.237 6.245 1.00 1.37 C ATOM 332 CD2 LEU A 23 3.298 10.393 4.464 1.00 1.25 C ATOM 0 H LEU A 23 -0.537 12.150 2.000 1.00 0.41 H new ATOM 0 HA LEU A 23 0.115 13.219 4.647 1.00 0.44 H new ATOM 0 HB2 LEU A 23 0.398 10.788 4.116 1.00 0.54 H new ATOM 0 HB3 LEU A 23 1.537 11.212 2.853 1.00 0.54 H new ATOM 0 HG LEU A 23 2.812 12.430 4.831 1.00 1.06 H new ATOM 0 HD11 LEU A 23 2.586 11.204 6.953 1.00 1.37 H new ATOM 0 HD12 LEU A 23 1.083 12.049 6.514 1.00 1.37 H new ATOM 0 HD13 LEU A 23 1.218 10.291 6.275 1.00 1.37 H new ATOM 0 HD21 LEU A 23 4.104 10.372 5.197 1.00 1.25 H new ATOM 0 HD22 LEU A 23 2.800 9.424 4.445 1.00 1.25 H new ATOM 0 HD23 LEU A 23 3.709 10.609 3.478 1.00 1.25 H new ATOM 344 N ILE A 24 1.642 13.970 1.846 1.00 0.37 N ATOM 345 CA ILE A 24 2.600 14.879 1.225 1.00 0.39 C ATOM 346 C ILE A 24 2.136 16.337 1.272 1.00 0.46 C ATOM 347 O ILE A 24 2.840 17.206 1.788 1.00 0.58 O ATOM 348 CB ILE A 24 2.869 14.491 -0.249 1.00 0.40 C ATOM 349 CG1 ILE A 24 3.309 13.029 -0.354 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.917 15.407 -0.869 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.618 12.732 0.341 1.00 0.37 C ATOM 0 H ILE A 24 1.108 13.406 1.185 1.00 0.37 H new ATOM 0 HA ILE A 24 3.518 14.787 1.805 1.00 0.39 H new ATOM 0 HB ILE A 24 1.938 14.611 -0.803 1.00 0.40 H new ATOM 0 HG12 ILE A 24 2.531 12.394 0.071 1.00 0.39 H new ATOM 0 HG13 ILE A 24 3.399 12.762 -1.407 1.00 0.39 H new ATOM 0 HG21 ILE A 24 4.089 15.114 -1.905 1.00 0.47 H new ATOM 0 HG22 ILE A 24 3.564 16.438 -0.837 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.849 15.325 -0.309 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.862 11.676 0.222 1.00 0.37 H new ATOM 0 HD12 ILE A 24 5.409 13.339 -0.099 1.00 0.37 H new ATOM 0 HD13 ILE A 24 4.528 12.966 1.402 1.00 0.37 H new ATOM 363 N GLN A 25 0.949 16.605 0.743 1.00 0.46 N ATOM 364 CA GLN A 25 0.432 17.970 0.703 1.00 0.55 C ATOM 365 C GLN A 25 -0.571 18.237 1.826 1.00 0.50 C ATOM 366 O GLN A 25 -1.144 19.326 1.918 1.00 0.58 O ATOM 367 CB GLN A 25 -0.184 18.250 -0.667 1.00 0.65 C ATOM 368 CG GLN A 25 0.850 18.273 -1.790 1.00 0.82 C ATOM 369 CD GLN A 25 0.258 18.579 -3.157 1.00 1.04 C ATOM 370 OE1 GLN A 25 0.908 19.197 -4.004 1.00 1.68 O ATOM 371 NE2 GLN A 25 -0.964 18.132 -3.392 1.00 1.38 N ATOM 0 H GLN A 25 0.329 15.903 0.338 1.00 0.46 H new ATOM 0 HA GLN A 25 1.266 18.653 0.863 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -0.933 17.489 -0.885 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -0.702 19.208 -0.638 1.00 0.65 H new ATOM 0 HG2 GLN A 25 1.610 19.019 -1.557 1.00 0.82 H new ATOM 0 HG3 GLN A 25 1.353 17.307 -1.829 1.00 0.82 H new ATOM 0 HE21 GLN A 25 -1.470 17.625 -2.666 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -1.401 18.294 -4.299 1.00 1.38 H new ATOM 380 N ASN A 26 -0.785 17.224 2.657 1.00 0.44 N ATOM 381 CA ASN A 26 -1.677 17.316 3.822 1.00 0.49 C ATOM 382 C ASN A 26 -3.112 17.708 3.466 1.00 0.46 C ATOM 383 O ASN A 26 -3.787 18.373 4.258 1.00 0.58 O ATOM 384 CB ASN A 26 -1.130 18.321 4.839 1.00 0.61 C ATOM 385 CG ASN A 26 0.245 17.958 5.347 1.00 1.02 C ATOM 386 OD1 ASN A 26 0.637 16.794 5.330 1.00 1.40 O ATOM 387 ND2 ASN A 26 0.984 18.954 5.814 1.00 1.60 N ATOM 0 H ASN A 26 -0.346 16.310 2.547 1.00 0.44 H new ATOM 0 HA ASN A 26 -1.708 16.313 4.248 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -1.093 19.309 4.381 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -1.817 18.386 5.682 1.00 0.61 H new ATOM 0 HD21 ASN A 26 1.918 18.768 6.178 1.00 1.60 H new ATOM 0 HD22 ASN A 26 0.618 19.906 5.809 1.00 1.60 H new ATOM 394 N HIS A 27 -3.590 17.298 2.300 1.00 0.41 N ATOM 395 CA HIS A 27 -4.954 17.623 1.899 1.00 0.44 C ATOM 396 C HIS A 27 -5.491 16.588 0.920 1.00 0.43 C ATOM 397 O HIS A 27 -4.739 16.026 0.121 1.00 0.46 O ATOM 398 CB HIS A 27 -5.030 19.051 1.324 1.00 0.51 C ATOM 399 CG HIS A 27 -4.832 19.165 -0.161 1.00 0.55 C ATOM 400 ND1 HIS A 27 -5.877 19.340 -1.045 1.00 0.61 N ATOM 401 CD2 HIS A 27 -3.705 19.173 -0.912 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.404 19.442 -2.271 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.089 19.350 -2.217 1.00 0.74 N ATOM 0 H HIS A 27 -3.063 16.747 1.622 1.00 0.41 H new ATOM 0 HA HIS A 27 -5.590 17.595 2.783 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.003 19.473 1.576 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -4.278 19.664 1.821 1.00 0.51 H new ATOM 0 HD2 HIS A 27 -2.693 19.061 -0.551 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -5.992 19.578 -3.167 1.00 0.69 H new ATOM 0 HE2 HIS A 27 -3.459 19.402 -3.017 1.00 0.74 H new ATOM 412 N PHE A 28 -6.789 16.336 0.997 1.00 0.44 N ATOM 413 CA PHE A 28 -7.435 15.368 0.134 1.00 0.45 C ATOM 414 C PHE A 28 -7.755 15.985 -1.223 1.00 0.45 C ATOM 415 O PHE A 28 -8.340 17.069 -1.305 1.00 0.52 O ATOM 416 CB PHE A 28 -8.713 14.833 0.792 1.00 0.52 C ATOM 417 CG PHE A 28 -9.299 13.645 0.082 1.00 0.47 C ATOM 418 CD1 PHE A 28 -8.814 12.371 0.325 1.00 0.48 C ATOM 419 CD2 PHE A 28 -10.333 13.802 -0.825 1.00 0.60 C ATOM 420 CE1 PHE A 28 -9.349 11.275 -0.326 1.00 0.49 C ATOM 421 CE2 PHE A 28 -10.873 12.711 -1.479 1.00 0.60 C ATOM 422 CZ PHE A 28 -10.381 11.445 -1.229 1.00 0.48 C ATOM 0 H PHE A 28 -7.418 16.795 1.656 1.00 0.44 H new ATOM 0 HA PHE A 28 -6.748 14.536 -0.021 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -8.494 14.558 1.824 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -9.456 15.630 0.825 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.009 12.232 1.031 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -10.722 14.789 -1.024 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -8.961 10.287 -0.129 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -11.679 12.848 -2.185 1.00 0.60 H new ATOM 0 HZ PHE A 28 -10.802 10.590 -1.738 1.00 0.48 H new ATOM 432 N VAL A 29 -7.358 15.297 -2.283 1.00 0.46 N ATOM 433 CA VAL A 29 -7.608 15.762 -3.633 1.00 0.49 C ATOM 434 C VAL A 29 -8.827 15.056 -4.206 1.00 0.52 C ATOM 435 O VAL A 29 -8.869 13.824 -4.285 1.00 0.61 O ATOM 436 CB VAL A 29 -6.385 15.533 -4.542 1.00 0.53 C ATOM 437 CG1 VAL A 29 -6.727 15.843 -5.990 1.00 0.55 C ATOM 438 CG2 VAL A 29 -5.209 16.376 -4.070 1.00 0.64 C ATOM 0 H VAL A 29 -6.858 14.409 -2.230 1.00 0.46 H new ATOM 0 HA VAL A 29 -7.797 16.835 -3.592 1.00 0.49 H new ATOM 0 HB VAL A 29 -6.100 14.483 -4.481 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -5.850 15.675 -6.615 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -7.537 15.193 -6.320 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.039 16.884 -6.075 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -4.353 16.203 -4.722 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -5.482 17.431 -4.101 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -4.949 16.098 -3.049 1.00 0.64 H new ATOM 448 N ASP A 30 -9.817 15.844 -4.587 1.00 0.55 N ATOM 449 CA ASP A 30 -11.054 15.316 -5.140 1.00 0.63 C ATOM 450 C ASP A 30 -10.834 14.714 -6.522 1.00 0.60 C ATOM 451 O ASP A 30 -11.142 13.546 -6.756 1.00 0.72 O ATOM 452 CB ASP A 30 -12.115 16.414 -5.219 1.00 0.75 C ATOM 453 CG ASP A 30 -13.405 15.911 -5.827 1.00 0.93 C ATOM 454 OD1 ASP A 30 -13.637 16.151 -7.033 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.196 15.269 -5.101 1.00 0.99 O ATOM 0 H ASP A 30 -9.788 16.862 -4.523 1.00 0.55 H new ATOM 0 HA ASP A 30 -11.401 14.526 -4.474 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -12.312 16.801 -4.219 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -11.734 17.245 -5.813 1.00 0.75 H new ATOM 460 N GLU A 31 -10.293 15.510 -7.433 1.00 0.54 N ATOM 461 CA GLU A 31 -10.057 15.047 -8.789 1.00 0.59 C ATOM 462 C GLU A 31 -8.569 14.970 -9.106 1.00 0.53 C ATOM 463 O GLU A 31 -7.867 15.981 -9.132 1.00 0.53 O ATOM 464 CB GLU A 31 -10.761 15.959 -9.793 1.00 0.69 C ATOM 465 CG GLU A 31 -10.798 15.388 -11.202 1.00 0.83 C ATOM 466 CD GLU A 31 -11.323 13.966 -11.248 1.00 0.99 C ATOM 467 OE1 GLU A 31 -10.596 13.074 -11.741 1.00 1.18 O ATOM 468 OE2 GLU A 31 -12.462 13.731 -10.791 1.00 1.16 O ATOM 0 H GLU A 31 -10.011 16.474 -7.257 1.00 0.54 H new ATOM 0 HA GLU A 31 -10.468 14.041 -8.869 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -11.781 16.140 -9.455 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.255 16.924 -9.813 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -11.425 16.022 -11.829 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -9.794 15.413 -11.626 1.00 0.83 H new ATOM 475 N TYR A 32 -8.099 13.757 -9.339 1.00 0.50 N ATOM 476 CA TYR A 32 -6.705 13.522 -9.677 1.00 0.46 C ATOM 477 C TYR A 32 -6.631 12.427 -10.723 1.00 0.44 C ATOM 478 O TYR A 32 -7.324 11.415 -10.612 1.00 0.48 O ATOM 479 CB TYR A 32 -5.899 13.115 -8.445 1.00 0.46 C ATOM 480 CG TYR A 32 -4.411 13.354 -8.592 1.00 0.46 C ATOM 481 CD1 TYR A 32 -3.888 14.633 -8.469 1.00 0.51 C ATOM 482 CD2 TYR A 32 -3.532 12.306 -8.857 1.00 0.46 C ATOM 483 CE1 TYR A 32 -2.536 14.866 -8.607 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.176 12.535 -8.994 1.00 0.50 C ATOM 485 CZ TYR A 32 -1.686 13.817 -8.868 1.00 0.54 C ATOM 486 OH TYR A 32 -0.338 14.051 -9.007 1.00 0.60 O ATOM 0 H TYR A 32 -8.668 12.912 -9.300 1.00 0.50 H new ATOM 0 HA TYR A 32 -6.278 14.446 -10.067 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.265 13.670 -7.581 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.071 12.058 -8.241 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -4.551 15.460 -8.262 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -3.915 11.301 -8.957 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.146 15.869 -8.510 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -1.504 11.714 -9.199 1.00 0.50 H new ATOM 0 HH TYR A 32 0.126 13.789 -8.185 1.00 0.60 H new ATOM 496 N ASP A 33 -5.802 12.629 -11.734 1.00 0.43 N ATOM 497 CA ASP A 33 -5.662 11.657 -12.808 1.00 0.42 C ATOM 498 C ASP A 33 -5.124 10.331 -12.266 1.00 0.39 C ATOM 499 O ASP A 33 -4.012 10.269 -11.735 1.00 0.42 O ATOM 500 CB ASP A 33 -4.743 12.200 -13.905 1.00 0.50 C ATOM 501 CG ASP A 33 -4.778 11.361 -15.161 1.00 0.55 C ATOM 502 OD1 ASP A 33 -3.818 10.603 -15.397 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.764 11.463 -15.925 1.00 0.60 O ATOM 0 H ASP A 33 -5.215 13.457 -11.834 1.00 0.43 H new ATOM 0 HA ASP A 33 -6.647 11.477 -13.240 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.036 13.222 -14.147 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -3.721 12.242 -13.529 1.00 0.50 H new ATOM 508 N PRO A 34 -5.917 9.252 -12.385 1.00 0.38 N ATOM 509 CA PRO A 34 -5.530 7.925 -11.890 1.00 0.41 C ATOM 510 C PRO A 34 -4.369 7.313 -12.674 1.00 0.42 C ATOM 511 O PRO A 34 -3.608 6.504 -12.137 1.00 0.52 O ATOM 512 CB PRO A 34 -6.799 7.089 -12.073 1.00 0.50 C ATOM 513 CG PRO A 34 -7.587 7.786 -13.129 1.00 0.49 C ATOM 514 CD PRO A 34 -7.254 9.246 -13.012 1.00 0.42 C ATOM 0 HA PRO A 34 -5.176 7.970 -10.860 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -6.557 6.069 -12.373 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.363 7.023 -11.142 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.331 7.407 -14.118 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -8.655 7.619 -12.990 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.241 9.733 -13.987 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -7.985 9.776 -12.401 1.00 0.42 H new ATOM 522 N THR A 35 -4.226 7.729 -13.926 1.00 0.37 N ATOM 523 CA THR A 35 -3.180 7.221 -14.803 1.00 0.42 C ATOM 524 C THR A 35 -1.808 7.812 -14.476 1.00 0.40 C ATOM 525 O THR A 35 -0.797 7.362 -15.008 1.00 0.41 O ATOM 526 CB THR A 35 -3.532 7.504 -16.279 1.00 0.52 C ATOM 527 OG1 THR A 35 -4.689 8.355 -16.347 1.00 0.74 O ATOM 528 CG2 THR A 35 -3.816 6.207 -17.027 1.00 0.89 C ATOM 0 H THR A 35 -4.830 8.426 -14.361 1.00 0.37 H new ATOM 0 HA THR A 35 -3.123 6.145 -14.639 1.00 0.42 H new ATOM 0 HB THR A 35 -2.680 7.998 -16.746 1.00 0.52 H new ATOM 0 HG1 THR A 35 -4.404 9.291 -16.396 1.00 0.74 H new ATOM 0 HG21 THR A 35 -4.062 6.432 -18.065 1.00 0.89 H new ATOM 0 HG22 THR A 35 -2.934 5.567 -16.993 1.00 0.89 H new ATOM 0 HG23 THR A 35 -4.655 5.693 -16.559 1.00 0.89 H new ATOM 536 N ILE A 36 -1.764 8.803 -13.595 1.00 0.45 N ATOM 537 CA ILE A 36 -0.499 9.417 -13.226 1.00 0.48 C ATOM 538 C ILE A 36 0.257 8.555 -12.213 1.00 0.47 C ATOM 539 O ILE A 36 -0.242 8.271 -11.120 1.00 0.54 O ATOM 540 CB ILE A 36 -0.696 10.841 -12.648 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.077 11.821 -13.760 1.00 0.62 C ATOM 542 CG2 ILE A 36 0.561 11.316 -11.928 1.00 0.65 C ATOM 543 CD1 ILE A 36 -1.425 13.204 -13.255 1.00 0.73 C ATOM 0 H ILE A 36 -2.582 9.194 -13.128 1.00 0.45 H new ATOM 0 HA ILE A 36 0.090 9.495 -14.140 1.00 0.48 H new ATOM 0 HB ILE A 36 -1.509 10.803 -11.923 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.249 11.898 -14.464 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -1.928 11.420 -14.311 1.00 0.62 H new ATOM 0 HG21 ILE A 36 0.397 12.318 -11.532 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.790 10.635 -11.109 1.00 0.65 H new ATOM 0 HG23 ILE A 36 1.396 11.335 -12.628 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -1.685 13.844 -14.098 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -2.273 13.140 -12.573 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -0.568 13.626 -12.729 1.00 0.73 H new ATOM 555 N GLU A 37 1.449 8.126 -12.608 1.00 0.49 N ATOM 556 CA GLU A 37 2.311 7.320 -11.757 1.00 0.48 C ATOM 557 C GLU A 37 3.524 8.162 -11.363 1.00 0.50 C ATOM 558 O GLU A 37 4.471 8.297 -12.136 1.00 0.79 O ATOM 559 CB GLU A 37 2.750 6.050 -12.496 1.00 0.51 C ATOM 560 CG GLU A 37 3.450 5.032 -11.610 1.00 0.57 C ATOM 561 CD GLU A 37 3.237 3.608 -12.087 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.067 3.178 -12.178 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.234 2.920 -12.384 1.00 0.81 O ATOM 0 H GLU A 37 1.844 8.327 -13.527 1.00 0.49 H new ATOM 0 HA GLU A 37 1.771 7.013 -10.861 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.874 5.583 -12.947 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.418 6.328 -13.311 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.518 5.248 -11.586 1.00 0.57 H new ATOM 0 HG3 GLU A 37 3.082 5.129 -10.589 1.00 0.57 H new ATOM 570 N ASP A 38 3.477 8.749 -10.175 1.00 0.30 N ATOM 571 CA ASP A 38 4.559 9.612 -9.700 1.00 0.33 C ATOM 572 C ASP A 38 5.054 9.153 -8.334 1.00 0.31 C ATOM 573 O ASP A 38 4.369 8.406 -7.634 1.00 0.34 O ATOM 574 CB ASP A 38 4.073 11.070 -9.615 1.00 0.42 C ATOM 575 CG ASP A 38 5.169 12.086 -9.893 1.00 0.54 C ATOM 576 OD1 ASP A 38 6.349 11.797 -9.602 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.850 13.183 -10.405 1.00 1.12 O ATOM 0 H ASP A 38 2.702 8.646 -9.519 1.00 0.30 H new ATOM 0 HA ASP A 38 5.385 9.548 -10.409 1.00 0.33 H new ATOM 0 HB2 ASP A 38 3.261 11.217 -10.327 1.00 0.42 H new ATOM 0 HB3 ASP A 38 3.662 11.252 -8.622 1.00 0.42 H new ATOM 582 N SER A 39 6.234 9.619 -7.957 1.00 0.33 N ATOM 583 CA SER A 39 6.832 9.267 -6.677 1.00 0.35 C ATOM 584 C SER A 39 7.017 10.521 -5.830 1.00 0.27 C ATOM 585 O SER A 39 7.297 11.602 -6.354 1.00 0.35 O ATOM 586 CB SER A 39 8.176 8.572 -6.886 1.00 0.51 C ATOM 587 OG SER A 39 8.445 8.370 -8.266 1.00 0.78 O ATOM 0 H SER A 39 6.802 10.248 -8.525 1.00 0.33 H new ATOM 0 HA SER A 39 6.165 8.579 -6.157 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.971 9.172 -6.443 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.175 7.612 -6.369 1.00 0.51 H new ATOM 0 HG SER A 39 9.312 7.925 -8.369 1.00 0.78 H new ATOM 593 N TYR A 40 6.859 10.381 -4.528 1.00 0.32 N ATOM 594 CA TYR A 40 6.996 11.511 -3.624 1.00 0.33 C ATOM 595 C TYR A 40 7.897 11.146 -2.458 1.00 0.31 C ATOM 596 O TYR A 40 7.808 10.044 -1.914 1.00 0.35 O ATOM 597 CB TYR A 40 5.621 11.964 -3.115 1.00 0.44 C ATOM 598 CG TYR A 40 4.695 12.436 -4.213 1.00 0.53 C ATOM 599 CD1 TYR A 40 3.787 11.571 -4.805 1.00 0.68 C ATOM 600 CD2 TYR A 40 4.741 13.747 -4.664 1.00 0.67 C ATOM 601 CE1 TYR A 40 2.950 11.999 -5.814 1.00 0.79 C ATOM 602 CE2 TYR A 40 3.905 14.185 -5.671 1.00 0.80 C ATOM 603 CZ TYR A 40 3.012 13.306 -6.243 1.00 0.80 C ATOM 604 OH TYR A 40 2.180 13.733 -7.253 1.00 0.94 O ATOM 0 H TYR A 40 6.636 9.497 -4.071 1.00 0.32 H new ATOM 0 HA TYR A 40 7.450 12.338 -4.171 1.00 0.33 H new ATOM 0 HB2 TYR A 40 5.149 11.138 -2.583 1.00 0.44 H new ATOM 0 HB3 TYR A 40 5.757 12.770 -2.394 1.00 0.44 H new ATOM 0 HD1 TYR A 40 3.734 10.545 -4.470 1.00 0.68 H new ATOM 0 HD2 TYR A 40 5.443 14.437 -4.219 1.00 0.67 H new ATOM 0 HE1 TYR A 40 2.249 11.312 -6.266 1.00 0.79 H new ATOM 0 HE2 TYR A 40 3.951 15.210 -6.008 1.00 0.80 H new ATOM 0 HH TYR A 40 2.348 14.681 -7.437 1.00 0.94 H new ATOM 614 N ARG A 41 8.767 12.070 -2.080 1.00 0.33 N ATOM 615 CA ARG A 41 9.691 11.849 -0.982 1.00 0.34 C ATOM 616 C ARG A 41 9.351 12.760 0.187 1.00 0.40 C ATOM 617 O ARG A 41 9.201 13.970 0.017 1.00 0.53 O ATOM 618 CB ARG A 41 11.136 12.089 -1.433 1.00 0.40 C ATOM 619 CG ARG A 41 11.880 10.817 -1.819 1.00 0.38 C ATOM 620 CD ARG A 41 11.220 10.104 -2.993 1.00 0.36 C ATOM 621 NE ARG A 41 11.243 10.900 -4.222 1.00 0.40 N ATOM 622 CZ ARG A 41 11.251 10.382 -5.452 1.00 0.48 C ATOM 623 NH1 ARG A 41 11.233 9.070 -5.630 1.00 0.56 N ATOM 624 NH2 ARG A 41 11.267 11.185 -6.509 1.00 0.56 N ATOM 0 H ARG A 41 8.851 12.985 -2.522 1.00 0.33 H new ATOM 0 HA ARG A 41 9.596 10.812 -0.660 1.00 0.34 H new ATOM 0 HB2 ARG A 41 11.132 12.769 -2.285 1.00 0.40 H new ATOM 0 HB3 ARG A 41 11.679 12.587 -0.630 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.910 11.063 -2.077 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.918 10.145 -0.962 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.728 9.156 -3.169 1.00 0.36 H new ATOM 0 HD3 ARG A 41 10.187 9.869 -2.736 1.00 0.36 H new ATOM 0 HE ARG A 41 11.254 11.916 -4.132 1.00 0.40 H new ATOM 0 HH11 ARG A 41 11.213 8.446 -4.823 1.00 0.56 H new ATOM 0 HH12 ARG A 41 11.239 8.683 -6.574 1.00 0.56 H new ATOM 0 HH21 ARG A 41 11.273 12.197 -6.381 1.00 0.56 H new ATOM 0 HH22 ARG A 41 11.273 10.790 -7.449 1.00 0.56 H new ATOM 638 N LYS A 42 9.204 12.171 1.363 1.00 0.36 N ATOM 639 CA LYS A 42 8.886 12.924 2.565 1.00 0.44 C ATOM 640 C LYS A 42 9.644 12.354 3.757 1.00 0.36 C ATOM 641 O LYS A 42 9.506 11.175 4.083 1.00 0.32 O ATOM 642 CB LYS A 42 7.377 12.890 2.828 1.00 0.56 C ATOM 643 CG LYS A 42 6.936 13.678 4.054 1.00 0.72 C ATOM 644 CD LYS A 42 5.428 13.885 4.067 1.00 1.07 C ATOM 645 CE LYS A 42 4.923 14.312 5.436 1.00 1.33 C ATOM 646 NZ LYS A 42 5.326 15.702 5.779 1.00 1.46 N ATOM 0 H LYS A 42 9.301 11.166 1.511 1.00 0.36 H new ATOM 0 HA LYS A 42 9.190 13.961 2.421 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.859 13.282 1.953 1.00 0.56 H new ATOM 0 HB3 LYS A 42 7.064 11.853 2.946 1.00 0.56 H new ATOM 0 HG2 LYS A 42 7.240 13.149 4.957 1.00 0.72 H new ATOM 0 HG3 LYS A 42 7.438 14.645 4.067 1.00 0.72 H new ATOM 0 HD2 LYS A 42 5.160 14.641 3.330 1.00 1.07 H new ATOM 0 HD3 LYS A 42 4.933 12.961 3.770 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.836 14.235 5.460 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.308 13.628 6.192 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 4.959 15.948 6.721 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 6.364 15.772 5.783 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 4.938 16.360 5.074 1.00 1.46 H new ATOM 660 N GLN A 43 10.460 13.182 4.391 1.00 0.46 N ATOM 661 CA GLN A 43 11.233 12.738 5.542 1.00 0.42 C ATOM 662 C GLN A 43 10.483 13.034 6.836 1.00 0.48 C ATOM 663 O GLN A 43 10.126 14.179 7.113 1.00 0.63 O ATOM 664 CB GLN A 43 12.620 13.398 5.548 1.00 0.53 C ATOM 665 CG GLN A 43 12.599 14.910 5.712 1.00 0.73 C ATOM 666 CD GLN A 43 13.933 15.547 5.379 1.00 1.26 C ATOM 667 OE1 GLN A 43 14.834 15.605 6.212 1.00 1.75 O ATOM 668 NE2 GLN A 43 14.055 16.048 4.162 1.00 1.89 N ATOM 0 H GLN A 43 10.604 14.158 4.131 1.00 0.46 H new ATOM 0 HA GLN A 43 11.372 11.659 5.470 1.00 0.42 H new ATOM 0 HB2 GLN A 43 13.210 12.966 6.356 1.00 0.53 H new ATOM 0 HB3 GLN A 43 13.129 13.153 4.615 1.00 0.53 H new ATOM 0 HG2 GLN A 43 11.827 15.332 5.068 1.00 0.73 H new ATOM 0 HG3 GLN A 43 12.328 15.157 6.738 1.00 0.73 H new ATOM 0 HE21 GLN A 43 13.281 15.978 3.502 1.00 1.89 H new ATOM 0 HE22 GLN A 43 14.923 16.505 3.883 1.00 1.89 H new ATOM 677 N VAL A 44 10.226 11.992 7.611 1.00 0.41 N ATOM 678 CA VAL A 44 9.516 12.128 8.876 1.00 0.50 C ATOM 679 C VAL A 44 10.333 11.510 10.007 1.00 0.41 C ATOM 680 O VAL A 44 11.014 10.499 9.810 1.00 0.38 O ATOM 681 CB VAL A 44 8.123 11.447 8.832 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.299 11.805 10.061 1.00 0.92 C ATOM 683 CG2 VAL A 44 7.373 11.829 7.565 1.00 1.09 C ATOM 0 H VAL A 44 10.500 11.036 7.385 1.00 0.41 H new ATOM 0 HA VAL A 44 9.374 13.194 9.053 1.00 0.50 H new ATOM 0 HB VAL A 44 8.282 10.369 8.829 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.328 11.314 10.003 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.821 11.473 10.958 1.00 0.92 H new ATOM 0 HG13 VAL A 44 7.158 12.885 10.102 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.399 11.339 7.557 1.00 1.09 H new ATOM 0 HG22 VAL A 44 7.236 12.910 7.535 1.00 1.09 H new ATOM 0 HG23 VAL A 44 7.946 11.512 6.694 1.00 1.09 H new ATOM 693 N VAL A 45 10.280 12.124 11.179 1.00 0.46 N ATOM 694 CA VAL A 45 10.998 11.616 12.339 1.00 0.41 C ATOM 695 C VAL A 45 10.137 10.580 13.050 1.00 0.46 C ATOM 696 O VAL A 45 9.197 10.924 13.767 1.00 0.65 O ATOM 697 CB VAL A 45 11.374 12.738 13.328 1.00 0.43 C ATOM 698 CG1 VAL A 45 12.348 12.223 14.378 1.00 0.47 C ATOM 699 CG2 VAL A 45 11.968 13.926 12.592 1.00 0.54 C ATOM 0 H VAL A 45 9.747 12.976 11.353 1.00 0.46 H new ATOM 0 HA VAL A 45 11.925 11.165 11.985 1.00 0.41 H new ATOM 0 HB VAL A 45 10.465 13.066 13.832 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.601 13.029 15.066 1.00 0.47 H new ATOM 0 HG12 VAL A 45 11.887 11.405 14.931 1.00 0.47 H new ATOM 0 HG13 VAL A 45 13.254 11.865 13.889 1.00 0.47 H new ATOM 0 HG21 VAL A 45 12.226 14.706 13.308 1.00 0.54 H new ATOM 0 HG22 VAL A 45 12.865 13.612 12.058 1.00 0.54 H new ATOM 0 HG23 VAL A 45 11.240 14.314 11.880 1.00 0.54 H new ATOM 709 N ILE A 46 10.460 9.315 12.834 1.00 0.45 N ATOM 710 CA ILE A 46 9.712 8.219 13.422 1.00 0.52 C ATOM 711 C ILE A 46 10.571 7.453 14.417 1.00 0.47 C ATOM 712 O ILE A 46 11.654 6.983 14.072 1.00 0.47 O ATOM 713 CB ILE A 46 9.207 7.245 12.334 1.00 0.65 C ATOM 714 CG1 ILE A 46 8.690 8.022 11.121 1.00 0.79 C ATOM 715 CG2 ILE A 46 8.116 6.347 12.892 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.362 7.143 9.936 1.00 0.81 C ATOM 0 H ILE A 46 11.243 9.022 12.250 1.00 0.45 H new ATOM 0 HA ILE A 46 8.855 8.650 13.940 1.00 0.52 H new ATOM 0 HB ILE A 46 10.041 6.620 12.015 1.00 0.65 H new ATOM 0 HG12 ILE A 46 7.798 8.578 11.409 1.00 0.79 H new ATOM 0 HG13 ILE A 46 9.440 8.755 10.823 1.00 0.79 H new ATOM 0 HG21 ILE A 46 7.771 5.667 12.113 1.00 1.06 H new ATOM 0 HG22 ILE A 46 8.512 5.770 13.728 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.282 6.959 13.235 1.00 1.06 H new ATOM 0 HD11 ILE A 46 8.002 7.761 9.113 1.00 0.81 H new ATOM 0 HD12 ILE A 46 9.257 6.607 9.622 1.00 0.81 H new ATOM 0 HD13 ILE A 46 7.590 6.427 10.217 1.00 0.81 H new ATOM 728 N ASP A 47 10.086 7.358 15.656 1.00 0.48 N ATOM 729 CA ASP A 47 10.780 6.645 16.732 1.00 0.50 C ATOM 730 C ASP A 47 12.104 7.315 17.083 1.00 0.45 C ATOM 731 O ASP A 47 13.003 6.690 17.648 1.00 0.53 O ATOM 732 CB ASP A 47 11.025 5.175 16.352 1.00 0.56 C ATOM 733 CG ASP A 47 9.748 4.408 16.068 1.00 0.65 C ATOM 734 OD1 ASP A 47 9.062 3.994 17.028 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.433 4.198 14.880 1.00 0.79 O ATOM 0 H ASP A 47 9.200 7.773 15.943 1.00 0.48 H new ATOM 0 HA ASP A 47 10.133 6.680 17.609 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.667 5.137 15.472 1.00 0.56 H new ATOM 0 HB3 ASP A 47 11.564 4.683 17.161 1.00 0.56 H new ATOM 740 N GLY A 48 12.214 8.595 16.760 1.00 0.41 N ATOM 741 CA GLY A 48 13.431 9.329 17.043 1.00 0.43 C ATOM 742 C GLY A 48 14.417 9.292 15.892 1.00 0.43 C ATOM 743 O GLY A 48 15.506 9.857 15.987 1.00 0.60 O ATOM 0 H GLY A 48 11.481 9.140 16.306 1.00 0.41 H new ATOM 0 HA2 GLY A 48 13.181 10.366 17.269 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.902 8.913 17.934 1.00 0.43 H new ATOM 747 N GLU A 49 14.038 8.631 14.807 1.00 0.40 N ATOM 748 CA GLU A 49 14.896 8.515 13.632 1.00 0.43 C ATOM 749 C GLU A 49 14.258 9.196 12.425 1.00 0.34 C ATOM 750 O GLU A 49 13.082 8.981 12.132 1.00 0.36 O ATOM 751 CB GLU A 49 15.150 7.042 13.305 1.00 0.52 C ATOM 752 CG GLU A 49 15.753 6.246 14.453 1.00 0.72 C ATOM 753 CD GLU A 49 17.153 5.752 14.144 1.00 0.96 C ATOM 754 OE1 GLU A 49 18.123 6.503 14.391 1.00 1.30 O ATOM 755 OE2 GLU A 49 17.292 4.608 13.663 1.00 1.41 O ATOM 0 H GLU A 49 13.136 8.163 14.714 1.00 0.40 H new ATOM 0 HA GLU A 49 15.842 9.007 13.857 1.00 0.43 H new ATOM 0 HB2 GLU A 49 14.208 6.579 13.011 1.00 0.52 H new ATOM 0 HB3 GLU A 49 15.817 6.982 12.445 1.00 0.52 H new ATOM 0 HG2 GLU A 49 15.780 6.868 15.348 1.00 0.72 H new ATOM 0 HG3 GLU A 49 15.111 5.394 14.676 1.00 0.72 H new ATOM 762 N THR A 50 15.035 10.004 11.720 1.00 0.35 N ATOM 763 CA THR A 50 14.535 10.694 10.541 1.00 0.32 C ATOM 764 C THR A 50 14.601 9.769 9.333 1.00 0.30 C ATOM 765 O THR A 50 15.686 9.413 8.864 1.00 0.38 O ATOM 766 CB THR A 50 15.336 11.979 10.261 1.00 0.45 C ATOM 767 OG1 THR A 50 15.736 12.567 11.502 1.00 0.63 O ATOM 768 CG2 THR A 50 14.508 12.983 9.470 1.00 0.47 C ATOM 0 H THR A 50 16.011 10.198 11.943 1.00 0.35 H new ATOM 0 HA THR A 50 13.499 10.976 10.729 1.00 0.32 H new ATOM 0 HB THR A 50 16.212 11.715 9.669 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.248 13.384 11.327 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.100 13.880 9.288 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.214 12.542 8.517 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.616 13.247 10.038 1.00 0.47 H new ATOM 776 N CYS A 51 13.442 9.368 8.835 1.00 0.31 N ATOM 777 CA CYS A 51 13.379 8.463 7.705 1.00 0.40 C ATOM 778 C CYS A 51 12.812 9.156 6.475 1.00 0.34 C ATOM 779 O CYS A 51 11.813 9.873 6.561 1.00 0.35 O ATOM 780 CB CYS A 51 12.512 7.255 8.066 1.00 0.53 C ATOM 781 SG CYS A 51 12.635 6.750 9.801 1.00 0.71 S ATOM 0 H CYS A 51 12.533 9.657 9.198 1.00 0.31 H new ATOM 0 HA CYS A 51 14.392 8.135 7.471 1.00 0.40 H new ATOM 0 HB2 CYS A 51 11.471 7.487 7.839 1.00 0.53 H new ATOM 0 HB3 CYS A 51 12.797 6.415 7.433 1.00 0.53 H new ATOM 0 HG CYS A 51 12.749 7.804 10.553 1.00 0.71 H new ATOM 787 N LEU A 52 13.458 8.943 5.338 1.00 0.32 N ATOM 788 CA LEU A 52 13.015 9.516 4.077 1.00 0.30 C ATOM 789 C LEU A 52 12.103 8.521 3.379 1.00 0.28 C ATOM 790 O LEU A 52 12.556 7.488 2.884 1.00 0.35 O ATOM 791 CB LEU A 52 14.211 9.851 3.182 1.00 0.37 C ATOM 792 CG LEU A 52 13.857 10.461 1.821 1.00 0.40 C ATOM 793 CD1 LEU A 52 13.418 11.910 1.977 1.00 0.48 C ATOM 794 CD2 LEU A 52 15.038 10.359 0.866 1.00 0.47 C ATOM 0 H LEU A 52 14.299 8.371 5.264 1.00 0.32 H new ATOM 0 HA LEU A 52 12.474 10.441 4.274 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.860 10.545 3.715 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.786 8.940 3.015 1.00 0.37 H new ATOM 0 HG LEU A 52 13.025 9.897 1.400 1.00 0.40 H new ATOM 0 HD11 LEU A 52 13.172 12.323 0.999 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.541 11.957 2.622 1.00 0.48 H new ATOM 0 HD13 LEU A 52 14.227 12.489 2.422 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.768 10.797 -0.095 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.890 10.896 1.283 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.303 9.311 0.725 1.00 0.47 H new ATOM 806 N LEU A 53 10.818 8.821 3.361 1.00 0.27 N ATOM 807 CA LEU A 53 9.847 7.936 2.747 1.00 0.29 C ATOM 808 C LEU A 53 9.777 8.142 1.240 1.00 0.25 C ATOM 809 O LEU A 53 9.411 9.222 0.763 1.00 0.30 O ATOM 810 CB LEU A 53 8.466 8.150 3.368 1.00 0.37 C ATOM 811 CG LEU A 53 8.423 8.091 4.898 1.00 0.39 C ATOM 812 CD1 LEU A 53 7.054 8.517 5.403 1.00 0.59 C ATOM 813 CD2 LEU A 53 8.762 6.692 5.392 1.00 0.87 C ATOM 0 H LEU A 53 10.423 9.670 3.764 1.00 0.27 H new ATOM 0 HA LEU A 53 10.170 6.912 2.932 1.00 0.29 H new ATOM 0 HB2 LEU A 53 8.087 9.120 3.047 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.786 7.396 2.972 1.00 0.37 H new ATOM 0 HG LEU A 53 9.170 8.781 5.291 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.037 8.470 6.492 1.00 0.59 H new ATOM 0 HD12 LEU A 53 6.849 9.538 5.080 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.293 7.849 5.000 1.00 0.59 H new ATOM 0 HD21 LEU A 53 8.726 6.672 6.481 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.040 5.980 4.992 1.00 0.87 H new ATOM 0 HD23 LEU A 53 9.763 6.421 5.057 1.00 0.87 H new ATOM 825 N ASP A 54 10.154 7.107 0.510 1.00 0.23 N ATOM 826 CA ASP A 54 10.113 7.114 -0.944 1.00 0.24 C ATOM 827 C ASP A 54 8.907 6.301 -1.382 1.00 0.24 C ATOM 828 O ASP A 54 8.964 5.074 -1.451 1.00 0.28 O ATOM 829 CB ASP A 54 11.405 6.528 -1.532 1.00 0.26 C ATOM 830 CG ASP A 54 11.339 6.304 -3.037 1.00 0.39 C ATOM 831 OD1 ASP A 54 10.985 7.247 -3.774 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.675 5.191 -3.494 1.00 1.03 O ATOM 0 H ASP A 54 10.499 6.234 0.909 1.00 0.23 H new ATOM 0 HA ASP A 54 10.029 8.138 -1.309 1.00 0.24 H new ATOM 0 HB2 ASP A 54 12.234 7.199 -1.308 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.621 5.580 -1.040 1.00 0.26 H new ATOM 837 N ILE A 55 7.803 6.985 -1.639 1.00 0.24 N ATOM 838 CA ILE A 55 6.569 6.315 -2.022 1.00 0.27 C ATOM 839 C ILE A 55 6.229 6.559 -3.481 1.00 0.26 C ATOM 840 O ILE A 55 6.305 7.685 -3.975 1.00 0.34 O ATOM 841 CB ILE A 55 5.388 6.776 -1.135 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.743 6.616 0.347 1.00 0.46 C ATOM 843 CG2 ILE A 55 4.122 5.990 -1.464 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.869 7.433 1.278 1.00 0.68 C ATOM 0 H ILE A 55 7.736 8.002 -1.590 1.00 0.24 H new ATOM 0 HA ILE A 55 6.731 5.247 -1.877 1.00 0.27 H new ATOM 0 HB ILE A 55 5.198 7.830 -1.340 1.00 0.34 H new ATOM 0 HG12 ILE A 55 5.662 5.563 0.619 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.784 6.904 0.495 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.306 6.332 -0.828 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.857 6.147 -2.510 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.297 4.928 -1.290 1.00 0.40 H new ATOM 0 HD11 ILE A 55 5.181 7.267 2.309 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.968 8.491 1.035 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.829 7.129 1.161 1.00 0.68 H new ATOM 856 N LEU A 56 5.847 5.490 -4.160 1.00 0.30 N ATOM 857 CA LEU A 56 5.477 5.567 -5.560 1.00 0.32 C ATOM 858 C LEU A 56 3.983 5.296 -5.738 1.00 0.33 C ATOM 859 O LEU A 56 3.489 4.223 -5.378 1.00 0.39 O ATOM 860 CB LEU A 56 6.295 4.565 -6.378 1.00 0.37 C ATOM 861 CG LEU A 56 5.906 4.449 -7.853 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.364 5.672 -8.633 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.496 3.184 -8.453 1.00 0.46 C ATOM 0 H LEU A 56 5.785 4.554 -3.760 1.00 0.30 H new ATOM 0 HA LEU A 56 5.690 6.574 -5.918 1.00 0.32 H new ATOM 0 HB2 LEU A 56 7.347 4.846 -6.318 1.00 0.37 H new ATOM 0 HB3 LEU A 56 6.201 3.582 -5.917 1.00 0.37 H new ATOM 0 HG LEU A 56 4.819 4.395 -7.918 1.00 0.42 H new ATOM 0 HD11 LEU A 56 6.076 5.566 -9.679 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.897 6.565 -8.217 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.448 5.763 -8.563 1.00 0.45 H new ATOM 0 HD21 LEU A 56 6.212 3.113 -9.503 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.583 3.215 -8.372 1.00 0.46 H new ATOM 0 HD23 LEU A 56 6.117 2.315 -7.915 1.00 0.46 H new ATOM 875 N ASP A 57 3.265 6.278 -6.279 1.00 0.32 N ATOM 876 CA ASP A 57 1.831 6.147 -6.517 1.00 0.34 C ATOM 877 C ASP A 57 1.620 5.515 -7.880 1.00 0.36 C ATOM 878 O ASP A 57 1.719 6.183 -8.910 1.00 0.40 O ATOM 879 CB ASP A 57 1.125 7.517 -6.441 1.00 0.35 C ATOM 880 CG ASP A 57 -0.234 7.536 -7.123 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.092 6.675 -6.894 1.00 0.37 O ATOM 882 OD2 ASP A 57 -0.521 8.431 -7.918 1.00 0.44 O ATOM 0 H ASP A 57 3.656 7.177 -6.562 1.00 0.32 H new ATOM 0 HA ASP A 57 1.396 5.514 -5.743 1.00 0.34 H new ATOM 0 HB2 ASP A 57 1.002 7.796 -5.395 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.764 8.272 -6.899 1.00 0.35 H new ATOM 887 N THR A 58 1.355 4.220 -7.879 1.00 0.40 N ATOM 888 CA THR A 58 1.149 3.490 -9.113 1.00 0.44 C ATOM 889 C THR A 58 -0.189 3.846 -9.754 1.00 0.41 C ATOM 890 O THR A 58 -1.132 4.271 -9.076 1.00 0.49 O ATOM 891 CB THR A 58 1.222 1.964 -8.886 1.00 0.53 C ATOM 892 OG1 THR A 58 0.226 1.547 -7.940 1.00 0.61 O ATOM 893 CG2 THR A 58 2.604 1.566 -8.389 1.00 0.73 C ATOM 0 H THR A 58 1.278 3.653 -7.034 1.00 0.40 H new ATOM 0 HA THR A 58 1.952 3.783 -9.789 1.00 0.44 H new ATOM 0 HB THR A 58 1.032 1.469 -9.838 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.553 1.704 -7.030 1.00 0.61 H new ATOM 0 HG21 THR A 58 2.638 0.488 -8.234 1.00 0.73 H new ATOM 0 HG22 THR A 58 3.352 1.850 -9.129 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.813 2.075 -7.448 1.00 0.73 H new ATOM 901 N ALA A 59 -0.252 3.706 -11.065 1.00 0.41 N ATOM 902 CA ALA A 59 -1.464 3.970 -11.811 1.00 0.39 C ATOM 903 C ALA A 59 -2.178 2.655 -12.086 1.00 0.40 C ATOM 904 O ALA A 59 -3.269 2.410 -11.568 1.00 0.56 O ATOM 905 CB ALA A 59 -1.131 4.678 -13.111 1.00 0.43 C ATOM 0 H ALA A 59 0.535 3.406 -11.640 1.00 0.41 H new ATOM 0 HA ALA A 59 -2.120 4.617 -11.228 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -2.049 4.872 -13.665 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.632 5.622 -12.894 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.472 4.049 -13.710 1.00 0.43 H new ATOM 911 N GLY A 60 -1.524 1.796 -12.856 1.00 0.42 N ATOM 912 CA GLY A 60 -2.091 0.506 -13.194 1.00 0.46 C ATOM 913 C GLY A 60 -1.067 -0.398 -13.843 1.00 0.47 C ATOM 914 O GLY A 60 -0.330 -1.108 -13.156 1.00 0.72 O ATOM 0 H GLY A 60 -0.602 1.972 -13.256 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.478 0.030 -12.293 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -2.935 0.644 -13.869 1.00 0.46 H new ATOM 918 N GLN A 61 -1.003 -0.353 -15.163 1.00 0.43 N ATOM 919 CA GLN A 61 -0.058 -1.168 -15.914 1.00 0.51 C ATOM 920 C GLN A 61 0.842 -0.278 -16.761 1.00 0.44 C ATOM 921 O GLN A 61 0.361 0.605 -17.474 1.00 0.63 O ATOM 922 CB GLN A 61 -0.804 -2.173 -16.801 1.00 0.71 C ATOM 923 CG GLN A 61 -1.856 -2.993 -16.060 1.00 0.80 C ATOM 924 CD GLN A 61 -1.272 -3.856 -14.954 1.00 1.04 C ATOM 925 OE1 GLN A 61 -0.143 -4.334 -15.052 1.00 1.23 O ATOM 926 NE2 GLN A 61 -2.040 -4.061 -13.895 1.00 1.26 N ATOM 0 H GLN A 61 -1.597 0.242 -15.741 1.00 0.43 H new ATOM 0 HA GLN A 61 0.561 -1.724 -15.210 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -1.286 -1.634 -17.617 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -0.080 -2.852 -17.252 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -2.598 -2.319 -15.632 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -2.378 -3.631 -16.773 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -2.971 -3.646 -13.852 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -1.701 -4.633 -13.122 1.00 1.26 H new ATOM 935 N GLU A 62 2.146 -0.509 -16.673 1.00 0.51 N ATOM 936 CA GLU A 62 3.126 0.276 -17.419 1.00 0.54 C ATOM 937 C GLU A 62 3.161 -0.152 -18.881 1.00 0.54 C ATOM 938 O GLU A 62 2.441 -1.069 -19.290 1.00 0.59 O ATOM 939 CB GLU A 62 4.524 0.117 -16.808 1.00 0.70 C ATOM 940 CG GLU A 62 5.031 1.348 -16.069 1.00 0.81 C ATOM 941 CD GLU A 62 5.172 2.561 -16.969 1.00 0.96 C ATOM 942 OE1 GLU A 62 5.215 3.694 -16.440 1.00 1.57 O ATOM 943 OE2 GLU A 62 5.242 2.394 -18.207 1.00 1.43 O ATOM 0 H GLU A 62 2.553 -1.239 -16.088 1.00 0.51 H new ATOM 0 HA GLU A 62 2.827 1.323 -17.362 1.00 0.54 H new ATOM 0 HB2 GLU A 62 4.512 -0.727 -16.118 1.00 0.70 H new ATOM 0 HB3 GLU A 62 5.228 -0.131 -17.602 1.00 0.70 H new ATOM 0 HG2 GLU A 62 4.346 1.584 -15.254 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.997 1.122 -15.618 1.00 0.81 H new ATOM 950 N GLU A 63 4.012 0.513 -19.657 1.00 0.55 N ATOM 951 CA GLU A 63 4.164 0.217 -21.076 1.00 0.59 C ATOM 952 C GLU A 63 4.710 -1.194 -21.259 1.00 0.47 C ATOM 953 O GLU A 63 4.254 -1.944 -22.123 1.00 0.50 O ATOM 954 CB GLU A 63 5.105 1.234 -21.727 1.00 0.70 C ATOM 955 CG GLU A 63 5.340 0.996 -23.216 1.00 0.96 C ATOM 956 CD GLU A 63 6.188 2.076 -23.852 1.00 1.10 C ATOM 957 OE1 GLU A 63 7.350 2.255 -23.435 1.00 1.32 O ATOM 958 OE2 GLU A 63 5.700 2.745 -24.784 1.00 1.38 O ATOM 0 H GLU A 63 4.611 1.267 -19.322 1.00 0.55 H new ATOM 0 HA GLU A 63 3.188 0.283 -21.557 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.694 2.234 -21.590 1.00 0.70 H new ATOM 0 HB3 GLU A 63 6.064 1.210 -21.210 1.00 0.70 H new ATOM 0 HG2 GLU A 63 5.826 0.030 -23.353 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.379 0.945 -23.728 1.00 0.96 H new ATOM 965 N TYR A 64 5.703 -1.534 -20.448 1.00 0.40 N ATOM 966 CA TYR A 64 6.314 -2.857 -20.489 1.00 0.34 C ATOM 967 C TYR A 64 6.163 -3.531 -19.132 1.00 0.30 C ATOM 968 O TYR A 64 6.213 -2.867 -18.093 1.00 0.30 O ATOM 969 CB TYR A 64 7.796 -2.766 -20.865 1.00 0.36 C ATOM 970 CG TYR A 64 8.051 -2.399 -22.316 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.397 -3.056 -23.353 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.955 -1.398 -22.642 1.00 0.66 C ATOM 973 CE1 TYR A 64 7.639 -2.725 -24.673 1.00 0.68 C ATOM 974 CE2 TYR A 64 9.202 -1.059 -23.958 1.00 0.76 C ATOM 975 CZ TYR A 64 8.542 -1.724 -24.969 1.00 0.67 C ATOM 976 OH TYR A 64 8.794 -1.387 -26.278 1.00 0.81 O ATOM 0 H TYR A 64 6.105 -0.908 -19.750 1.00 0.40 H new ATOM 0 HA TYR A 64 5.806 -3.449 -21.250 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.276 -2.026 -20.225 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.271 -3.724 -20.656 1.00 0.36 H new ATOM 0 HD1 TYR A 64 6.688 -3.838 -23.123 1.00 0.59 H new ATOM 0 HD2 TYR A 64 9.475 -0.875 -21.853 1.00 0.66 H new ATOM 0 HE1 TYR A 64 7.125 -3.246 -25.467 1.00 0.68 H new ATOM 0 HE2 TYR A 64 9.909 -0.277 -24.194 1.00 0.76 H new ATOM 0 HH TYR A 64 9.454 -0.663 -26.308 1.00 0.81 H new ATOM 986 N SER A 65 5.979 -4.842 -19.145 1.00 0.32 N ATOM 987 CA SER A 65 5.802 -5.611 -17.920 1.00 0.34 C ATOM 988 C SER A 65 7.052 -5.540 -17.033 1.00 0.30 C ATOM 989 O SER A 65 6.954 -5.507 -15.808 1.00 0.35 O ATOM 990 CB SER A 65 5.472 -7.065 -18.281 1.00 0.40 C ATOM 991 OG SER A 65 4.648 -7.120 -19.436 1.00 0.63 O ATOM 0 H SER A 65 5.948 -5.401 -19.998 1.00 0.32 H new ATOM 0 HA SER A 65 4.977 -5.183 -17.350 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.394 -7.619 -18.459 1.00 0.40 H new ATOM 0 HB3 SER A 65 4.967 -7.547 -17.444 1.00 0.40 H new ATOM 0 HG SER A 65 4.449 -8.055 -19.652 1.00 0.63 H new ATOM 997 N ALA A 66 8.220 -5.488 -17.664 1.00 0.26 N ATOM 998 CA ALA A 66 9.488 -5.426 -16.939 1.00 0.26 C ATOM 999 C ALA A 66 9.613 -4.143 -16.121 1.00 0.26 C ATOM 1000 O ALA A 66 10.247 -4.131 -15.064 1.00 0.32 O ATOM 1001 CB ALA A 66 10.646 -5.546 -17.907 1.00 0.26 C ATOM 0 H ALA A 66 8.317 -5.487 -18.679 1.00 0.26 H new ATOM 0 HA ALA A 66 9.512 -6.263 -16.241 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.586 -5.499 -17.357 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.582 -6.497 -18.435 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.605 -4.728 -18.627 1.00 0.26 H new ATOM 1007 N MET A 67 9.001 -3.071 -16.609 1.00 0.25 N ATOM 1008 CA MET A 67 9.038 -1.786 -15.917 1.00 0.30 C ATOM 1009 C MET A 67 8.278 -1.882 -14.599 1.00 0.30 C ATOM 1010 O MET A 67 8.638 -1.246 -13.611 1.00 0.34 O ATOM 1011 CB MET A 67 8.434 -0.684 -16.790 1.00 0.36 C ATOM 1012 CG MET A 67 9.193 -0.447 -18.083 1.00 0.50 C ATOM 1013 SD MET A 67 8.376 0.746 -19.163 1.00 0.63 S ATOM 1014 CE MET A 67 8.668 2.258 -18.248 1.00 0.69 C ATOM 0 H MET A 67 8.473 -3.065 -17.481 1.00 0.25 H new ATOM 0 HA MET A 67 10.079 -1.533 -15.713 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.402 -0.944 -17.027 1.00 0.36 H new ATOM 0 HB3 MET A 67 8.406 0.245 -16.220 1.00 0.36 H new ATOM 0 HG2 MET A 67 10.197 -0.092 -17.850 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.304 -1.393 -18.613 1.00 0.50 H new ATOM 0 HE1 MET A 67 8.401 3.115 -18.867 1.00 0.69 H new ATOM 0 HE2 MET A 67 8.059 2.260 -17.344 1.00 0.69 H new ATOM 0 HE3 MET A 67 9.722 2.321 -17.976 1.00 0.69 H new ATOM 1024 N ARG A 68 7.230 -2.693 -14.597 1.00 0.31 N ATOM 1025 CA ARG A 68 6.413 -2.901 -13.413 1.00 0.36 C ATOM 1026 C ARG A 68 7.133 -3.833 -12.444 1.00 0.37 C ATOM 1027 O ARG A 68 7.119 -3.624 -11.231 1.00 0.41 O ATOM 1028 CB ARG A 68 5.059 -3.489 -13.811 1.00 0.43 C ATOM 1029 CG ARG A 68 4.184 -3.885 -12.636 1.00 0.55 C ATOM 1030 CD ARG A 68 3.288 -5.060 -12.994 1.00 0.62 C ATOM 1031 NE ARG A 68 4.067 -6.214 -13.435 1.00 0.64 N ATOM 1032 CZ ARG A 68 3.704 -7.038 -14.419 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.569 -6.843 -15.080 1.00 0.90 N ATOM 1034 NH2 ARG A 68 4.487 -8.054 -14.744 1.00 0.86 N ATOM 0 H ARG A 68 6.924 -3.223 -15.413 1.00 0.31 H new ATOM 0 HA ARG A 68 6.246 -1.944 -12.919 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.523 -2.760 -14.419 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.226 -4.365 -14.437 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.811 -4.148 -11.784 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.572 -3.036 -12.332 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.685 -5.336 -12.129 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.596 -4.764 -13.783 1.00 0.62 H new ATOM 0 HE ARG A 68 4.949 -6.403 -12.958 1.00 0.64 H new ATOM 0 HH11 ARG A 68 1.966 -6.057 -14.837 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.300 -7.479 -15.831 1.00 0.90 H new ATOM 0 HH21 ARG A 68 5.363 -8.204 -14.243 1.00 0.86 H new ATOM 0 HH22 ARG A 68 4.215 -8.688 -15.496 1.00 0.86 H new ATOM 1048 N ASP A 69 7.777 -4.853 -12.998 1.00 0.37 N ATOM 1049 CA ASP A 69 8.516 -5.830 -12.204 1.00 0.42 C ATOM 1050 C ASP A 69 9.766 -5.198 -11.587 1.00 0.36 C ATOM 1051 O ASP A 69 10.419 -5.792 -10.729 1.00 0.42 O ATOM 1052 CB ASP A 69 8.913 -7.030 -13.068 1.00 0.58 C ATOM 1053 CG ASP A 69 7.811 -8.068 -13.183 1.00 0.78 C ATOM 1054 OD1 ASP A 69 6.619 -7.696 -13.115 1.00 0.94 O ATOM 1055 OD2 ASP A 69 8.134 -9.262 -13.355 1.00 1.41 O ATOM 0 H ASP A 69 7.803 -5.027 -14.003 1.00 0.37 H new ATOM 0 HA ASP A 69 7.865 -6.171 -11.399 1.00 0.42 H new ATOM 0 HB2 ASP A 69 9.181 -6.680 -14.065 1.00 0.58 H new ATOM 0 HB3 ASP A 69 9.802 -7.497 -12.645 1.00 0.58 H new ATOM 1060 N GLN A 70 10.093 -3.991 -12.039 1.00 0.32 N ATOM 1061 CA GLN A 70 11.249 -3.267 -11.537 1.00 0.31 C ATOM 1062 C GLN A 70 11.047 -2.896 -10.071 1.00 0.26 C ATOM 1063 O GLN A 70 11.684 -3.464 -9.182 1.00 0.33 O ATOM 1064 CB GLN A 70 11.495 -2.008 -12.375 1.00 0.34 C ATOM 1065 CG GLN A 70 12.654 -1.164 -11.876 1.00 0.43 C ATOM 1066 CD GLN A 70 12.371 0.322 -11.962 1.00 0.96 C ATOM 1067 OE1 GLN A 70 12.628 0.957 -12.987 1.00 1.51 O ATOM 1068 NE2 GLN A 70 11.839 0.893 -10.890 1.00 1.30 N ATOM 0 H GLN A 70 9.567 -3.493 -12.757 1.00 0.32 H new ATOM 0 HA GLN A 70 12.123 -3.913 -11.615 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.687 -2.300 -13.407 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.589 -1.401 -12.379 1.00 0.34 H new ATOM 0 HG2 GLN A 70 12.873 -1.429 -10.842 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.545 -1.395 -12.460 1.00 0.43 H new ATOM 0 HE21 GLN A 70 11.640 0.334 -10.060 1.00 1.30 H new ATOM 0 HE22 GLN A 70 11.628 1.891 -10.895 1.00 1.30 H new ATOM 1077 N TYR A 71 10.121 -1.975 -9.815 1.00 0.23 N ATOM 1078 CA TYR A 71 9.858 -1.525 -8.450 1.00 0.27 C ATOM 1079 C TYR A 71 9.175 -2.607 -7.622 1.00 0.24 C ATOM 1080 O TYR A 71 9.087 -2.493 -6.402 1.00 0.29 O ATOM 1081 CB TYR A 71 9.041 -0.229 -8.425 1.00 0.37 C ATOM 1082 CG TYR A 71 7.912 -0.145 -9.431 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.648 -0.649 -9.143 1.00 0.53 C ATOM 1084 CD2 TYR A 71 8.108 0.467 -10.664 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.615 -0.543 -10.056 1.00 0.77 C ATOM 1086 CE2 TYR A 71 7.081 0.573 -11.579 1.00 0.86 C ATOM 1087 CZ TYR A 71 5.838 0.067 -11.269 1.00 0.90 C ATOM 1088 OH TYR A 71 4.816 0.174 -12.180 1.00 1.17 O ATOM 0 H TYR A 71 9.544 -1.529 -10.528 1.00 0.23 H new ATOM 0 HA TYR A 71 10.827 -1.317 -7.997 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.623 -0.104 -7.426 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.717 0.609 -8.595 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.471 -1.130 -8.192 1.00 0.53 H new ATOM 0 HD2 TYR A 71 9.081 0.866 -10.910 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.638 -0.937 -9.818 1.00 0.77 H new ATOM 0 HE2 TYR A 71 7.251 1.050 -12.533 1.00 0.86 H new ATOM 0 HH TYR A 71 4.572 1.117 -12.289 1.00 1.17 H new ATOM 1098 N MET A 72 8.708 -3.657 -8.289 1.00 0.24 N ATOM 1099 CA MET A 72 8.067 -4.774 -7.607 1.00 0.28 C ATOM 1100 C MET A 72 9.113 -5.603 -6.874 1.00 0.31 C ATOM 1101 O MET A 72 8.782 -6.442 -6.038 1.00 0.44 O ATOM 1102 CB MET A 72 7.308 -5.663 -8.598 1.00 0.36 C ATOM 1103 CG MET A 72 5.798 -5.479 -8.566 1.00 0.39 C ATOM 1104 SD MET A 72 4.933 -6.650 -9.630 1.00 0.51 S ATOM 1105 CE MET A 72 3.258 -6.473 -9.014 1.00 0.70 C ATOM 0 H MET A 72 8.762 -3.757 -9.303 1.00 0.24 H new ATOM 0 HA MET A 72 7.352 -4.369 -6.890 1.00 0.28 H new ATOM 0 HB2 MET A 72 7.667 -5.455 -9.606 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.541 -6.706 -8.386 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.443 -5.594 -7.542 1.00 0.39 H new ATOM 0 HG3 MET A 72 5.553 -4.463 -8.876 1.00 0.39 H new ATOM 0 HE1 MET A 72 2.912 -7.429 -8.622 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.239 -5.727 -8.220 1.00 0.70 H new ATOM 0 HE3 MET A 72 2.604 -6.155 -9.826 1.00 0.70 H new ATOM 1115 N ARG A 73 10.381 -5.368 -7.203 1.00 0.25 N ATOM 1116 CA ARG A 73 11.477 -6.086 -6.571 1.00 0.30 C ATOM 1117 C ARG A 73 12.265 -5.165 -5.643 1.00 0.27 C ATOM 1118 O ARG A 73 12.776 -5.606 -4.610 1.00 0.34 O ATOM 1119 CB ARG A 73 12.411 -6.679 -7.627 1.00 0.37 C ATOM 1120 CG ARG A 73 11.776 -7.787 -8.449 1.00 0.45 C ATOM 1121 CD ARG A 73 12.704 -8.268 -9.552 1.00 0.50 C ATOM 1122 NE ARG A 73 13.094 -7.193 -10.463 1.00 0.80 N ATOM 1123 CZ ARG A 73 14.281 -7.131 -11.066 1.00 0.81 C ATOM 1124 NH1 ARG A 73 15.182 -8.086 -10.859 1.00 1.19 N ATOM 1125 NH2 ARG A 73 14.567 -6.120 -11.875 1.00 1.29 N ATOM 0 H ARG A 73 10.671 -4.686 -7.903 1.00 0.25 H new ATOM 0 HA ARG A 73 11.050 -6.896 -5.980 1.00 0.30 H new ATOM 0 HB2 ARG A 73 12.739 -5.884 -8.297 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.302 -7.069 -7.134 1.00 0.37 H new ATOM 0 HG2 ARG A 73 11.520 -8.623 -7.798 1.00 0.45 H new ATOM 0 HG3 ARG A 73 10.845 -7.428 -8.887 1.00 0.45 H new ATOM 0 HD2 ARG A 73 13.598 -8.704 -9.106 1.00 0.50 H new ATOM 0 HD3 ARG A 73 12.212 -9.059 -10.118 1.00 0.50 H new ATOM 0 HE ARG A 73 12.421 -6.449 -10.647 1.00 0.80 H new ATOM 0 HH11 ARG A 73 14.965 -8.866 -10.239 1.00 1.19 H new ATOM 0 HH12 ARG A 73 16.090 -8.039 -11.320 1.00 1.19 H new ATOM 0 HH21 ARG A 73 13.877 -5.386 -12.038 1.00 1.29 H new ATOM 0 HH22 ARG A 73 15.477 -6.076 -12.335 1.00 1.29 H new ATOM 1139 N THR A 74 12.363 -3.889 -6.015 1.00 0.23 N ATOM 1140 CA THR A 74 13.093 -2.910 -5.219 1.00 0.23 C ATOM 1141 C THR A 74 12.261 -2.411 -4.035 1.00 0.20 C ATOM 1142 O THR A 74 12.793 -1.804 -3.103 1.00 0.24 O ATOM 1143 CB THR A 74 13.517 -1.706 -6.082 1.00 0.26 C ATOM 1144 OG1 THR A 74 12.783 -1.703 -7.314 1.00 0.64 O ATOM 1145 CG2 THR A 74 15.012 -1.744 -6.378 1.00 0.72 C ATOM 0 H THR A 74 11.944 -3.511 -6.865 1.00 0.23 H new ATOM 0 HA THR A 74 13.981 -3.413 -4.835 1.00 0.23 H new ATOM 0 HB THR A 74 13.298 -0.796 -5.524 1.00 0.26 H new ATOM 0 HG1 THR A 74 12.805 -0.805 -7.706 1.00 0.64 H new ATOM 0 HG21 THR A 74 15.284 -0.883 -6.989 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.569 -1.715 -5.442 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.253 -2.661 -6.916 1.00 0.72 H new ATOM 1153 N GLY A 75 10.958 -2.663 -4.080 1.00 0.17 N ATOM 1154 CA GLY A 75 10.084 -2.234 -3.007 1.00 0.16 C ATOM 1155 C GLY A 75 10.379 -2.946 -1.700 1.00 0.14 C ATOM 1156 O GLY A 75 10.565 -4.166 -1.677 1.00 0.19 O ATOM 0 H GLY A 75 10.492 -3.157 -4.841 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.190 -1.159 -2.864 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.048 -2.417 -3.291 1.00 0.16 H new ATOM 1160 N GLU A 76 10.444 -2.188 -0.614 1.00 0.16 N ATOM 1161 CA GLU A 76 10.712 -2.759 0.697 1.00 0.20 C ATOM 1162 C GLU A 76 9.407 -3.036 1.431 1.00 0.23 C ATOM 1163 O GLU A 76 9.283 -4.030 2.141 1.00 0.34 O ATOM 1164 CB GLU A 76 11.590 -1.815 1.518 1.00 0.26 C ATOM 1165 CG GLU A 76 12.925 -1.505 0.856 1.00 0.30 C ATOM 1166 CD GLU A 76 13.840 -0.667 1.729 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.670 0.571 1.768 1.00 0.43 O ATOM 1168 OE2 GLU A 76 14.750 -1.241 2.369 1.00 0.54 O ATOM 0 H GLU A 76 10.315 -1.176 -0.616 1.00 0.16 H new ATOM 0 HA GLU A 76 11.243 -3.701 0.563 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.051 -0.883 1.686 1.00 0.26 H new ATOM 0 HB3 GLU A 76 11.772 -2.259 2.497 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.426 -2.440 0.607 1.00 0.30 H new ATOM 0 HG3 GLU A 76 12.746 -0.980 -0.082 1.00 0.30 H new ATOM 1175 N GLY A 77 8.439 -2.155 1.244 1.00 0.21 N ATOM 1176 CA GLY A 77 7.151 -2.315 1.886 1.00 0.23 C ATOM 1177 C GLY A 77 6.023 -2.330 0.879 1.00 0.17 C ATOM 1178 O GLY A 77 5.922 -1.430 0.037 1.00 0.26 O ATOM 0 H GLY A 77 8.522 -1.326 0.655 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.142 -3.243 2.457 1.00 0.23 H new ATOM 0 HA3 GLY A 77 6.995 -1.503 2.596 1.00 0.23 H new ATOM 1182 N PHE A 78 5.178 -3.344 0.956 1.00 0.11 N ATOM 1183 CA PHE A 78 4.060 -3.479 0.035 1.00 0.17 C ATOM 1184 C PHE A 78 2.737 -3.284 0.763 1.00 0.17 C ATOM 1185 O PHE A 78 2.426 -3.995 1.721 1.00 0.20 O ATOM 1186 CB PHE A 78 4.110 -4.843 -0.659 1.00 0.24 C ATOM 1187 CG PHE A 78 5.336 -5.021 -1.508 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.516 -5.481 -0.955 1.00 0.29 C ATOM 1189 CD2 PHE A 78 5.308 -4.711 -2.857 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.649 -5.630 -1.729 1.00 0.35 C ATOM 1191 CE2 PHE A 78 6.436 -4.860 -3.639 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.610 -5.318 -3.075 1.00 0.40 C ATOM 0 H PHE A 78 5.245 -4.089 1.649 1.00 0.11 H new ATOM 0 HA PHE A 78 4.138 -2.703 -0.727 1.00 0.17 H new ATOM 0 HB2 PHE A 78 4.078 -5.630 0.095 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.223 -4.961 -1.281 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.552 -5.727 0.096 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.393 -4.349 -3.303 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.565 -5.990 -1.284 1.00 0.35 H new ATOM 0 HE2 PHE A 78 6.400 -4.618 -4.691 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.495 -5.432 -3.683 1.00 0.40 H new ATOM 1202 N LEU A 79 1.971 -2.306 0.314 1.00 0.19 N ATOM 1203 CA LEU A 79 0.686 -2.001 0.922 1.00 0.20 C ATOM 1204 C LEU A 79 -0.455 -2.597 0.103 1.00 0.21 C ATOM 1205 O LEU A 79 -0.754 -2.124 -0.995 1.00 0.24 O ATOM 1206 CB LEU A 79 0.517 -0.484 1.036 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.509 -0.008 2.071 1.00 0.26 C ATOM 1208 CD1 LEU A 79 -0.031 -0.319 3.478 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.776 1.483 1.918 1.00 0.27 C ATOM 0 H LEU A 79 2.217 -1.706 -0.473 1.00 0.19 H new ATOM 0 HA LEU A 79 0.657 -2.443 1.918 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.484 -0.046 1.282 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.229 -0.094 0.060 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.442 -0.543 1.897 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.772 0.026 4.199 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.107 -1.395 3.586 1.00 0.37 H new ATOM 0 HD13 LEU A 79 0.916 0.188 3.661 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.507 1.800 2.662 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.152 2.036 2.063 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.165 1.682 0.919 1.00 0.27 H new ATOM 1221 N CYS A 80 -1.089 -3.622 0.647 1.00 0.21 N ATOM 1222 CA CYS A 80 -2.196 -4.290 -0.025 1.00 0.25 C ATOM 1223 C CYS A 80 -3.519 -3.697 0.436 1.00 0.24 C ATOM 1224 O CYS A 80 -3.996 -3.993 1.533 1.00 0.28 O ATOM 1225 CB CYS A 80 -2.156 -5.788 0.276 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.484 -6.461 0.418 1.00 0.61 S ATOM 0 H CYS A 80 -0.855 -4.014 1.559 1.00 0.21 H new ATOM 0 HA CYS A 80 -2.102 -4.142 -1.101 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.693 -5.977 1.205 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.686 -6.322 -0.513 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.549 -7.734 0.675 1.00 0.61 H new ATOM 1232 N VAL A 81 -4.105 -2.847 -0.391 1.00 0.29 N ATOM 1233 CA VAL A 81 -5.360 -2.204 -0.044 1.00 0.33 C ATOM 1234 C VAL A 81 -6.515 -2.745 -0.887 1.00 0.30 C ATOM 1235 O VAL A 81 -6.361 -3.014 -2.082 1.00 0.36 O ATOM 1236 CB VAL A 81 -5.277 -0.676 -0.236 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.491 0.021 0.366 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.985 -0.121 0.352 1.00 0.42 C ATOM 0 H VAL A 81 -3.733 -2.587 -1.304 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.547 -2.427 1.007 1.00 0.33 H new ATOM 0 HB VAL A 81 -5.274 -0.476 -1.307 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -6.405 1.097 0.215 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -7.397 -0.342 -0.120 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.541 -0.193 1.434 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.952 0.958 0.203 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.947 -0.342 1.419 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -3.132 -0.582 -0.145 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.663 -2.916 -0.245 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.869 -3.397 -0.907 1.00 0.26 C ATOM 1250 C PHE A 82 -10.057 -2.576 -0.418 1.00 0.25 C ATOM 1251 O PHE A 82 -9.921 -1.792 0.524 1.00 0.25 O ATOM 1252 CB PHE A 82 -9.097 -4.894 -0.632 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.546 -5.207 0.771 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.623 -5.371 1.789 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.895 -5.347 1.065 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -9.036 -5.665 3.075 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -11.312 -5.640 2.347 1.00 0.30 C ATOM 1258 CZ PHE A 82 -10.382 -5.799 3.354 1.00 0.30 C ATOM 0 H PHE A 82 -7.785 -2.725 0.750 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.756 -3.279 -1.985 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.843 -5.270 -1.332 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -8.171 -5.433 -0.833 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.569 -5.268 1.577 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.627 -5.225 0.281 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -8.306 -5.790 3.861 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -12.365 -5.745 2.562 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.706 -6.028 4.358 1.00 0.30 H new ATOM 1268 N ALA A 83 -11.207 -2.745 -1.056 1.00 0.28 N ATOM 1269 CA ALA A 83 -12.408 -2.017 -0.670 1.00 0.27 C ATOM 1270 C ALA A 83 -13.366 -2.946 0.066 1.00 0.28 C ATOM 1271 O ALA A 83 -13.632 -4.060 -0.389 1.00 0.31 O ATOM 1272 CB ALA A 83 -13.069 -1.395 -1.896 1.00 0.32 C ATOM 0 H ALA A 83 -11.334 -3.380 -1.844 1.00 0.28 H new ATOM 0 HA ALA A 83 -12.134 -1.207 0.006 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.965 -0.854 -1.591 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -12.374 -0.705 -2.373 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -13.341 -2.181 -2.601 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.894 -2.479 1.189 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.808 -3.277 2.008 1.00 0.31 C ATOM 1280 C ILE A 84 -16.128 -3.541 1.280 1.00 0.31 C ATOM 1281 O ILE A 84 -16.892 -4.431 1.658 1.00 0.33 O ATOM 1282 CB ILE A 84 -15.098 -2.600 3.368 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -16.000 -1.379 3.180 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.799 -2.201 4.057 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -16.927 -1.126 4.344 1.00 0.78 C ATOM 0 H ILE A 84 -13.706 -1.547 1.559 1.00 0.28 H new ATOM 0 HA ILE A 84 -14.308 -4.228 2.191 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.618 -3.318 4.003 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -15.377 -0.498 3.025 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -16.594 -1.513 2.276 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -14.025 -1.726 5.012 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -13.190 -3.089 4.228 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -13.252 -1.502 3.425 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -17.536 -0.245 4.140 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -17.576 -1.990 4.487 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -16.340 -0.960 5.247 1.00 0.78 H new ATOM 1297 N ASN A 85 -16.396 -2.765 0.236 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.620 -2.928 -0.535 1.00 0.38 C ATOM 1299 C ASN A 85 -17.327 -3.541 -1.898 1.00 0.36 C ATOM 1300 O ASN A 85 -18.198 -3.603 -2.766 1.00 0.48 O ATOM 1301 CB ASN A 85 -18.345 -1.584 -0.700 1.00 0.51 C ATOM 1302 CG ASN A 85 -17.751 -0.699 -1.791 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -16.534 -0.649 -1.990 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -18.604 0.018 -2.502 1.00 0.82 N ATOM 0 H ASN A 85 -15.783 -2.019 -0.094 1.00 0.33 H new ATOM 0 HA ASN A 85 -18.272 -3.607 0.014 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -19.394 -1.772 -0.928 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -18.316 -1.047 0.248 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -18.262 0.634 -3.239 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -19.604 -0.045 -2.314 1.00 0.82 H new ATOM 1311 N ASN A 86 -16.102 -4.008 -2.081 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.708 -4.610 -3.345 1.00 0.39 C ATOM 1313 C ASN A 86 -14.984 -5.922 -3.107 1.00 0.33 C ATOM 1314 O ASN A 86 -13.766 -5.952 -2.920 1.00 0.33 O ATOM 1315 CB ASN A 86 -14.822 -3.659 -4.154 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.679 -4.087 -5.602 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -13.775 -4.842 -5.948 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -15.560 -3.595 -6.456 1.00 0.98 N ATOM 0 H ASN A 86 -15.367 -3.982 -1.374 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.614 -4.807 -3.919 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.243 -2.654 -4.116 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -13.835 -3.608 -3.695 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -15.504 -3.840 -7.445 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -16.296 -2.971 -6.126 1.00 0.98 H new ATOM 1325 N THR A 87 -15.742 -7.004 -3.119 1.00 0.33 N ATOM 1326 CA THR A 87 -15.199 -8.332 -2.901 1.00 0.32 C ATOM 1327 C THR A 87 -14.140 -8.693 -3.948 1.00 0.30 C ATOM 1328 O THR A 87 -13.172 -9.390 -3.645 1.00 0.30 O ATOM 1329 CB THR A 87 -16.326 -9.371 -2.943 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.580 -8.722 -2.696 1.00 0.65 O ATOM 1331 CG2 THR A 87 -16.103 -10.459 -1.913 1.00 0.57 C ATOM 0 H THR A 87 -16.749 -6.987 -3.280 1.00 0.33 H new ATOM 0 HA THR A 87 -14.723 -8.334 -1.920 1.00 0.32 H new ATOM 0 HB THR A 87 -16.334 -9.833 -3.930 1.00 0.38 H new ATOM 0 HG1 THR A 87 -18.302 -9.384 -2.724 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.917 -11.182 -1.965 1.00 0.57 H new ATOM 0 HG22 THR A 87 -15.157 -10.962 -2.114 1.00 0.57 H new ATOM 0 HG23 THR A 87 -16.074 -10.017 -0.917 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.326 -8.203 -5.172 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.394 -8.468 -6.267 1.00 0.35 C ATOM 1341 C LYS A 88 -11.984 -7.989 -5.915 1.00 0.30 C ATOM 1342 O LYS A 88 -11.003 -8.709 -6.110 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.884 -7.782 -7.549 1.00 0.42 C ATOM 1344 CG LYS A 88 -13.026 -8.058 -8.773 1.00 0.49 C ATOM 1345 CD LYS A 88 -13.072 -9.524 -9.163 1.00 0.71 C ATOM 1346 CE LYS A 88 -12.715 -9.719 -10.627 1.00 0.89 C ATOM 1347 NZ LYS A 88 -13.749 -9.156 -11.538 1.00 0.82 N ATOM 0 H LYS A 88 -15.119 -7.616 -5.432 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.354 -9.545 -6.431 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.904 -8.107 -7.754 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.920 -6.706 -7.380 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.372 -7.447 -9.607 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -11.996 -7.766 -8.570 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -12.380 -10.090 -8.540 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -14.069 -9.921 -8.974 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -11.756 -9.244 -10.832 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -12.594 -10.783 -10.831 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -13.667 -9.601 -12.474 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -14.695 -9.343 -11.148 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -13.609 -8.130 -11.630 1.00 0.82 H new ATOM 1361 N SER A 89 -11.894 -6.781 -5.369 1.00 0.27 N ATOM 1362 CA SER A 89 -10.609 -6.208 -4.987 1.00 0.27 C ATOM 1363 C SER A 89 -9.998 -6.970 -3.811 1.00 0.25 C ATOM 1364 O SER A 89 -8.776 -7.017 -3.659 1.00 0.32 O ATOM 1365 CB SER A 89 -10.759 -4.718 -4.637 1.00 0.33 C ATOM 1366 OG SER A 89 -11.532 -4.525 -3.458 1.00 0.64 O ATOM 0 H SER A 89 -12.696 -6.180 -5.181 1.00 0.27 H new ATOM 0 HA SER A 89 -9.937 -6.298 -5.840 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.772 -4.276 -4.500 1.00 0.33 H new ATOM 0 HB3 SER A 89 -11.230 -4.195 -5.469 1.00 0.33 H new ATOM 0 HG SER A 89 -12.286 -5.151 -3.455 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.852 -7.563 -2.982 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.393 -8.322 -1.824 1.00 0.25 C ATOM 1374 C PHE A 90 -9.849 -9.682 -2.252 1.00 0.27 C ATOM 1375 O PHE A 90 -8.800 -10.123 -1.780 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.540 -8.502 -0.820 1.00 0.29 C ATOM 1377 CG PHE A 90 -11.191 -9.372 0.356 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -10.140 -9.040 1.195 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.914 -10.525 0.618 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.816 -9.840 2.271 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.594 -11.328 1.696 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.543 -10.986 2.522 1.00 0.39 C ATOM 0 H PHE A 90 -11.866 -7.532 -3.091 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.588 -7.765 -1.344 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.848 -7.522 -0.455 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.397 -8.933 -1.337 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.568 -8.144 1.004 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.736 -10.799 -0.027 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -8.994 -9.570 2.917 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -12.166 -12.223 1.892 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.290 -11.614 3.363 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.564 -10.335 -3.154 1.00 0.32 N ATOM 1393 CA GLU A 91 -10.164 -11.642 -3.649 1.00 0.40 C ATOM 1394 C GLU A 91 -8.882 -11.546 -4.471 1.00 0.39 C ATOM 1395 O GLU A 91 -8.049 -12.455 -4.439 1.00 0.49 O ATOM 1396 CB GLU A 91 -11.286 -12.268 -4.484 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.501 -12.670 -3.662 1.00 0.59 C ATOM 1398 CD GLU A 91 -12.267 -13.920 -2.836 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -13.241 -14.664 -2.593 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -11.109 -14.174 -2.428 1.00 1.09 O ATOM 0 H GLU A 91 -11.429 -9.979 -3.560 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.970 -12.283 -2.789 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.595 -11.559 -5.252 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.898 -13.147 -4.999 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.773 -11.848 -2.999 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -13.347 -12.835 -4.330 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.712 -10.428 -5.176 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.530 -10.214 -6.014 1.00 0.37 C ATOM 1409 C ASP A 92 -6.270 -10.087 -5.164 1.00 0.31 C ATOM 1410 O ASP A 92 -5.158 -10.286 -5.657 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.702 -8.973 -6.895 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.902 -9.064 -8.187 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -7.038 -10.081 -8.904 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -6.155 -8.114 -8.502 1.00 0.99 O ATOM 0 H ASP A 92 -9.378 -9.655 -5.184 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.421 -11.085 -6.660 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.758 -8.843 -7.133 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -7.389 -8.089 -6.339 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.450 -9.778 -3.878 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.332 -9.647 -2.946 1.00 0.25 C ATOM 1421 C ILE A 93 -4.555 -10.961 -2.874 1.00 0.24 C ATOM 1422 O ILE A 93 -3.341 -10.973 -2.666 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.822 -9.244 -1.530 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.413 -7.831 -1.545 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.695 -9.330 -0.509 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.431 -6.762 -1.981 1.00 0.42 C ATOM 0 H ILE A 93 -7.365 -9.613 -3.458 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.677 -8.858 -3.314 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.600 -9.949 -1.237 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.274 -7.814 -2.213 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.779 -7.590 -0.547 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -5.071 -9.041 0.473 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.319 -10.352 -0.468 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.888 -8.658 -0.801 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -5.922 -5.789 -1.966 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.580 -6.749 -1.299 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.083 -6.978 -2.991 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.265 -12.065 -3.091 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.656 -13.390 -3.064 1.00 0.30 C ATOM 1440 C HIS A 94 -3.602 -13.510 -4.155 1.00 0.30 C ATOM 1441 O HIS A 94 -2.559 -14.139 -3.974 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.724 -14.465 -3.272 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.582 -14.713 -2.075 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -6.511 -15.869 -1.326 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.541 -13.955 -1.499 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -7.387 -15.808 -0.343 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -8.025 -14.659 -0.427 1.00 0.79 N ATOM 0 H HIS A 94 -6.266 -12.067 -3.288 1.00 0.26 H new ATOM 0 HA HIS A 94 -4.184 -13.531 -2.092 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.360 -14.173 -4.107 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -5.235 -15.397 -3.555 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -7.866 -12.977 -1.823 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -7.553 -16.570 0.404 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -8.761 -14.343 0.204 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.886 -12.879 -5.286 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.989 -12.896 -6.430 1.00 0.30 C ATOM 1458 C HIS A 95 -1.866 -11.875 -6.253 1.00 0.26 C ATOM 1459 O HIS A 95 -0.790 -12.017 -6.828 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.788 -12.623 -7.707 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.963 -12.581 -8.962 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -2.151 -13.619 -9.381 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.843 -11.613 -9.899 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -1.570 -13.284 -10.520 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.975 -12.075 -10.852 1.00 0.72 N ATOM 0 H HIS A 95 -4.741 -12.343 -5.435 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.526 -13.880 -6.509 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.551 -13.394 -7.815 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -4.309 -11.672 -7.598 1.00 0.37 H new ATOM 0 HD1 HIS A 95 -2.021 -14.503 -8.889 1.00 0.72 H new ATOM 0 HD2 HIS A 95 -3.340 -10.654 -9.896 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -0.881 -13.897 -11.082 1.00 0.79 H new ATOM 1474 N TYR A 96 -2.130 -10.850 -5.451 1.00 0.29 N ATOM 1475 CA TYR A 96 -1.139 -9.811 -5.181 1.00 0.29 C ATOM 1476 C TYR A 96 0.075 -10.411 -4.488 1.00 0.24 C ATOM 1477 O TYR A 96 1.191 -10.336 -5.003 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.736 -8.700 -4.309 1.00 0.38 C ATOM 1479 CG TYR A 96 -2.364 -7.562 -5.085 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -2.003 -6.245 -4.829 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -3.311 -7.802 -6.070 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -2.573 -5.201 -5.532 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -3.884 -6.764 -6.775 1.00 0.81 C ATOM 1484 CZ TYR A 96 -3.509 -5.466 -6.502 1.00 0.75 C ATOM 1485 OH TYR A 96 -4.078 -4.429 -7.203 1.00 0.91 O ATOM 0 H TYR A 96 -3.022 -10.715 -4.975 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.833 -9.379 -6.134 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.490 -9.136 -3.653 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.951 -8.297 -3.669 1.00 0.38 H new ATOM 0 HD1 TYR A 96 -1.265 -6.034 -4.069 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -3.604 -8.818 -6.288 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -2.284 -4.182 -5.320 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -4.622 -6.967 -7.537 1.00 0.81 H new ATOM 0 HH TYR A 96 -4.719 -4.786 -7.853 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.158 -11.014 -3.324 1.00 0.25 N ATOM 1496 CA ARG A 97 0.902 -11.656 -2.557 1.00 0.25 C ATOM 1497 C ARG A 97 1.615 -12.689 -3.421 1.00 0.22 C ATOM 1498 O ARG A 97 2.839 -12.726 -3.482 1.00 0.29 O ATOM 1499 CB ARG A 97 0.310 -12.332 -1.315 1.00 0.32 C ATOM 1500 CG ARG A 97 1.336 -13.035 -0.436 1.00 0.36 C ATOM 1501 CD ARG A 97 1.979 -12.075 0.553 1.00 0.39 C ATOM 1502 NE ARG A 97 2.654 -12.772 1.650 1.00 0.45 N ATOM 1503 CZ ARG A 97 3.346 -12.155 2.609 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.464 -10.833 2.608 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.914 -12.858 3.579 1.00 0.60 N ATOM 0 H ARG A 97 -1.080 -11.070 -2.891 1.00 0.25 H new ATOM 0 HA ARG A 97 1.621 -10.900 -2.242 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.208 -11.581 -0.719 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.438 -13.058 -1.633 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.854 -13.848 0.107 1.00 0.36 H new ATOM 0 HG3 ARG A 97 2.107 -13.483 -1.063 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.698 -11.446 0.029 1.00 0.39 H new ATOM 0 HD3 ARG A 97 1.215 -11.414 0.962 1.00 0.39 H new ATOM 0 HE ARG A 97 2.591 -13.790 1.683 1.00 0.45 H new ATOM 0 HH11 ARG A 97 3.024 -10.282 1.871 1.00 0.48 H new ATOM 0 HH12 ARG A 97 3.995 -10.368 3.344 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.823 -13.874 3.593 1.00 0.60 H new ATOM 0 HH22 ARG A 97 4.442 -12.383 4.311 1.00 0.60 H new ATOM 1519 N GLU A 98 0.820 -13.498 -4.110 1.00 0.22 N ATOM 1520 CA GLU A 98 1.326 -14.548 -4.987 1.00 0.24 C ATOM 1521 C GLU A 98 2.273 -13.996 -6.048 1.00 0.23 C ATOM 1522 O GLU A 98 3.371 -14.519 -6.247 1.00 0.26 O ATOM 1523 CB GLU A 98 0.147 -15.251 -5.654 1.00 0.30 C ATOM 1524 CG GLU A 98 0.518 -16.107 -6.848 1.00 0.46 C ATOM 1525 CD GLU A 98 -0.703 -16.701 -7.502 1.00 0.94 C ATOM 1526 OE1 GLU A 98 -1.338 -16.006 -8.327 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -1.046 -17.859 -7.186 1.00 1.35 O ATOM 0 H GLU A 98 -0.198 -13.445 -4.077 1.00 0.22 H new ATOM 0 HA GLU A 98 1.894 -15.255 -4.382 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -0.351 -15.878 -4.915 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.575 -14.499 -5.973 1.00 0.30 H new ATOM 0 HG2 GLU A 98 1.064 -15.504 -7.574 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.187 -16.907 -6.530 1.00 0.46 H new ATOM 1534 N GLN A 99 1.847 -12.935 -6.720 1.00 0.23 N ATOM 1535 CA GLN A 99 2.648 -12.316 -7.767 1.00 0.25 C ATOM 1536 C GLN A 99 3.966 -11.785 -7.214 1.00 0.24 C ATOM 1537 O GLN A 99 5.039 -12.190 -7.664 1.00 0.26 O ATOM 1538 CB GLN A 99 1.859 -11.185 -8.434 1.00 0.30 C ATOM 1539 CG GLN A 99 2.598 -10.498 -9.572 1.00 0.33 C ATOM 1540 CD GLN A 99 1.656 -9.852 -10.571 1.00 0.63 C ATOM 1541 OE1 GLN A 99 1.202 -8.726 -10.381 1.00 1.15 O ATOM 1542 NE2 GLN A 99 1.360 -10.564 -11.646 1.00 1.08 N ATOM 0 H GLN A 99 0.947 -12.483 -6.557 1.00 0.23 H new ATOM 0 HA GLN A 99 2.879 -13.078 -8.511 1.00 0.25 H new ATOM 0 HB2 GLN A 99 0.920 -11.587 -8.815 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.604 -10.441 -7.680 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.264 -9.739 -9.162 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.224 -11.227 -10.087 1.00 0.33 H new ATOM 0 HE21 GLN A 99 1.758 -11.495 -11.766 1.00 1.08 H new ATOM 0 HE22 GLN A 99 0.734 -10.182 -12.355 1.00 1.08 H new ATOM 1551 N ILE A 100 3.881 -10.902 -6.223 1.00 0.24 N ATOM 1552 CA ILE A 100 5.070 -10.303 -5.622 1.00 0.26 C ATOM 1553 C ILE A 100 5.994 -11.360 -5.006 1.00 0.24 C ATOM 1554 O ILE A 100 7.221 -11.224 -5.059 1.00 0.24 O ATOM 1555 CB ILE A 100 4.687 -9.250 -4.562 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.701 -8.243 -5.166 1.00 0.39 C ATOM 1557 CG2 ILE A 100 5.930 -8.534 -4.053 1.00 0.34 C ATOM 1558 CD1 ILE A 100 2.969 -7.403 -4.142 1.00 0.51 C ATOM 0 H ILE A 100 3.000 -10.585 -5.818 1.00 0.24 H new ATOM 0 HA ILE A 100 5.615 -9.808 -6.426 1.00 0.26 H new ATOM 0 HB ILE A 100 4.211 -9.752 -3.719 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.243 -7.582 -5.842 1.00 0.39 H new ATOM 0 HG13 ILE A 100 2.969 -8.783 -5.767 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.643 -7.794 -3.306 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.609 -9.259 -3.604 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.429 -8.036 -4.884 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.292 -6.717 -4.651 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.397 -8.053 -3.480 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.690 -6.833 -3.556 1.00 0.51 H new ATOM 1570 N LYS A 101 5.410 -12.414 -4.439 1.00 0.25 N ATOM 1571 CA LYS A 101 6.194 -13.489 -3.839 1.00 0.27 C ATOM 1572 C LYS A 101 7.107 -14.127 -4.875 1.00 0.23 C ATOM 1573 O LYS A 101 8.259 -14.449 -4.588 1.00 0.27 O ATOM 1574 CB LYS A 101 5.291 -14.561 -3.229 1.00 0.34 C ATOM 1575 CG LYS A 101 4.887 -14.280 -1.790 1.00 0.78 C ATOM 1576 CD LYS A 101 4.423 -15.547 -1.086 1.00 0.76 C ATOM 1577 CE LYS A 101 5.608 -16.355 -0.571 1.00 0.97 C ATOM 1578 NZ LYS A 101 5.188 -17.644 0.041 1.00 1.05 N ATOM 0 H LYS A 101 4.400 -12.545 -4.383 1.00 0.25 H new ATOM 0 HA LYS A 101 6.798 -13.049 -3.045 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.391 -14.653 -3.837 1.00 0.34 H new ATOM 0 HB3 LYS A 101 5.804 -15.522 -3.271 1.00 0.34 H new ATOM 0 HG2 LYS A 101 5.731 -13.851 -1.251 1.00 0.78 H new ATOM 0 HG3 LYS A 101 4.088 -13.539 -1.773 1.00 0.78 H new ATOM 0 HD2 LYS A 101 3.768 -15.286 -0.255 1.00 0.76 H new ATOM 0 HD3 LYS A 101 3.836 -16.155 -1.775 1.00 0.76 H new ATOM 0 HE2 LYS A 101 6.295 -16.553 -1.394 1.00 0.97 H new ATOM 0 HE3 LYS A 101 6.154 -15.766 0.166 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 5.967 -18.330 -0.025 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 4.946 -17.491 1.041 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 4.357 -18.014 -0.464 1.00 1.05 H new ATOM 1592 N ARG A 102 6.587 -14.283 -6.085 1.00 0.22 N ATOM 1593 CA ARG A 102 7.343 -14.878 -7.175 1.00 0.23 C ATOM 1594 C ARG A 102 8.378 -13.898 -7.720 1.00 0.21 C ATOM 1595 O ARG A 102 9.533 -14.256 -7.934 1.00 0.26 O ATOM 1596 CB ARG A 102 6.402 -15.295 -8.308 1.00 0.29 C ATOM 1597 CG ARG A 102 5.480 -16.455 -7.966 1.00 0.35 C ATOM 1598 CD ARG A 102 4.584 -16.797 -9.149 1.00 0.44 C ATOM 1599 NE ARG A 102 3.679 -17.902 -8.861 1.00 0.58 N ATOM 1600 CZ ARG A 102 3.112 -18.662 -9.803 1.00 0.75 C ATOM 1601 NH1 ARG A 102 3.363 -18.430 -11.086 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.294 -19.640 -9.463 1.00 0.91 N ATOM 0 H ARG A 102 5.639 -14.003 -6.336 1.00 0.22 H new ATOM 0 HA ARG A 102 7.857 -15.756 -6.783 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.794 -14.436 -8.594 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.999 -15.566 -9.178 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.072 -17.327 -7.688 1.00 0.35 H new ATOM 0 HG3 ARG A 102 4.867 -16.197 -7.102 1.00 0.35 H new ATOM 0 HD2 ARG A 102 4.002 -15.918 -9.427 1.00 0.44 H new ATOM 0 HD3 ARG A 102 5.204 -17.053 -10.008 1.00 0.44 H new ATOM 0 HE ARG A 102 3.466 -18.107 -7.885 1.00 0.58 H new ATOM 0 HH11 ARG A 102 3.989 -17.671 -11.354 1.00 0.89 H new ATOM 0 HH12 ARG A 102 2.930 -19.011 -11.804 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.093 -19.818 -8.479 1.00 0.91 H new ATOM 0 HH22 ARG A 102 1.863 -20.218 -10.184 1.00 0.91 H new ATOM 1616 N VAL A 103 7.953 -12.658 -7.939 1.00 0.21 N ATOM 1617 CA VAL A 103 8.833 -11.627 -8.494 1.00 0.23 C ATOM 1618 C VAL A 103 10.054 -11.374 -7.608 1.00 0.19 C ATOM 1619 O VAL A 103 11.190 -11.364 -8.090 1.00 0.21 O ATOM 1620 CB VAL A 103 8.080 -10.295 -8.717 1.00 0.27 C ATOM 1621 CG1 VAL A 103 8.955 -9.306 -9.467 1.00 0.35 C ATOM 1622 CG2 VAL A 103 6.784 -10.527 -9.472 1.00 0.35 C ATOM 0 H VAL A 103 7.004 -12.339 -7.742 1.00 0.21 H new ATOM 0 HA VAL A 103 9.175 -12.009 -9.456 1.00 0.23 H new ATOM 0 HB VAL A 103 7.839 -9.876 -7.740 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.408 -8.375 -9.614 1.00 0.35 H new ATOM 0 HG12 VAL A 103 9.858 -9.109 -8.890 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.228 -9.724 -10.436 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.272 -9.576 -9.617 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.003 -10.973 -10.442 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.145 -11.199 -8.900 1.00 0.35 H new ATOM 1632 N LYS A 104 9.826 -11.177 -6.316 1.00 0.17 N ATOM 1633 CA LYS A 104 10.919 -10.915 -5.387 1.00 0.16 C ATOM 1634 C LYS A 104 11.601 -12.204 -4.954 1.00 0.18 C ATOM 1635 O LYS A 104 12.683 -12.172 -4.370 1.00 0.28 O ATOM 1636 CB LYS A 104 10.430 -10.141 -4.165 1.00 0.18 C ATOM 1637 CG LYS A 104 10.491 -8.634 -4.342 1.00 0.26 C ATOM 1638 CD LYS A 104 10.119 -7.896 -3.063 1.00 0.32 C ATOM 1639 CE LYS A 104 11.214 -7.997 -2.010 1.00 0.51 C ATOM 1640 NZ LYS A 104 12.557 -7.668 -2.560 1.00 0.63 N ATOM 0 H LYS A 104 8.900 -11.193 -5.889 1.00 0.17 H new ATOM 0 HA LYS A 104 11.651 -10.303 -5.914 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.403 -10.433 -3.947 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.032 -10.423 -3.301 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.496 -8.345 -4.648 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.815 -8.335 -5.143 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.930 -6.847 -3.291 1.00 0.32 H new ATOM 0 HD3 LYS A 104 9.192 -8.307 -2.663 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.986 -7.322 -1.186 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.229 -9.007 -1.600 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 13.180 -7.353 -1.789 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.964 -8.512 -3.011 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 12.467 -6.908 -3.265 1.00 0.63 H new ATOM 1654 N ASP A 105 10.953 -13.330 -5.244 1.00 0.17 N ATOM 1655 CA ASP A 105 11.491 -14.653 -4.920 1.00 0.21 C ATOM 1656 C ASP A 105 11.835 -14.762 -3.434 1.00 0.23 C ATOM 1657 O ASP A 105 12.941 -15.148 -3.066 1.00 0.28 O ATOM 1658 CB ASP A 105 12.728 -14.936 -5.785 1.00 0.24 C ATOM 1659 CG ASP A 105 13.137 -16.397 -5.785 1.00 0.34 C ATOM 1660 OD1 ASP A 105 12.460 -17.207 -6.453 1.00 0.43 O ATOM 1661 OD2 ASP A 105 14.154 -16.737 -5.140 1.00 0.47 O ATOM 0 H ASP A 105 10.045 -13.354 -5.708 1.00 0.17 H new ATOM 0 HA ASP A 105 10.727 -15.400 -5.136 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.526 -14.622 -6.809 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.561 -14.332 -5.425 1.00 0.24 H new ATOM 1666 N SER A 106 10.886 -14.397 -2.582 1.00 0.28 N ATOM 1667 CA SER A 106 11.081 -14.465 -1.142 1.00 0.33 C ATOM 1668 C SER A 106 9.793 -14.928 -0.456 1.00 0.36 C ATOM 1669 O SER A 106 8.691 -14.578 -0.890 1.00 0.56 O ATOM 1670 CB SER A 106 11.502 -13.096 -0.601 1.00 0.36 C ATOM 1671 OG SER A 106 12.526 -12.521 -1.405 1.00 1.14 O ATOM 0 H SER A 106 9.970 -14.050 -2.866 1.00 0.28 H new ATOM 0 HA SER A 106 11.871 -15.185 -0.929 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.639 -12.431 -0.575 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.856 -13.200 0.425 1.00 0.36 H new ATOM 0 HG SER A 106 12.776 -11.647 -1.040 1.00 1.14 H new ATOM 1677 N GLU A 107 9.939 -15.705 0.613 1.00 0.42 N ATOM 1678 CA GLU A 107 8.789 -16.223 1.350 1.00 0.54 C ATOM 1679 C GLU A 107 8.182 -15.156 2.254 1.00 0.42 C ATOM 1680 O GLU A 107 6.961 -15.000 2.312 1.00 0.54 O ATOM 1681 CB GLU A 107 9.199 -17.443 2.178 1.00 0.74 C ATOM 1682 CG GLU A 107 8.721 -18.767 1.595 1.00 1.11 C ATOM 1683 CD GLU A 107 8.784 -18.807 0.084 1.00 1.17 C ATOM 1684 OE1 GLU A 107 7.715 -18.723 -0.562 1.00 1.74 O ATOM 1685 OE2 GLU A 107 9.896 -18.931 -0.468 1.00 1.46 O ATOM 0 H GLU A 107 10.843 -15.991 0.989 1.00 0.42 H new ATOM 0 HA GLU A 107 8.032 -16.520 0.624 1.00 0.54 H new ATOM 0 HB2 GLU A 107 10.285 -17.465 2.263 1.00 0.74 H new ATOM 0 HB3 GLU A 107 8.802 -17.336 3.187 1.00 0.74 H new ATOM 0 HG2 GLU A 107 9.329 -19.576 2.000 1.00 1.11 H new ATOM 0 HG3 GLU A 107 7.695 -18.949 1.915 1.00 1.11 H new ATOM 1692 N ASP A 108 9.029 -14.422 2.953 1.00 0.35 N ATOM 1693 CA ASP A 108 8.561 -13.375 3.851 1.00 0.37 C ATOM 1694 C ASP A 108 8.684 -12.008 3.186 1.00 0.29 C ATOM 1695 O ASP A 108 9.779 -11.583 2.813 1.00 0.39 O ATOM 1696 CB ASP A 108 9.355 -13.400 5.157 1.00 0.54 C ATOM 1697 CG ASP A 108 9.029 -12.233 6.069 1.00 0.65 C ATOM 1698 OD1 ASP A 108 8.008 -12.297 6.784 1.00 0.77 O ATOM 1699 OD2 ASP A 108 9.806 -11.254 6.083 1.00 0.78 O ATOM 0 H ASP A 108 10.043 -14.529 2.918 1.00 0.35 H new ATOM 0 HA ASP A 108 7.511 -13.559 4.077 1.00 0.37 H new ATOM 0 HB2 ASP A 108 9.151 -14.333 5.682 1.00 0.54 H new ATOM 0 HB3 ASP A 108 10.421 -13.389 4.929 1.00 0.54 H new ATOM 1704 N VAL A 109 7.550 -11.334 3.027 1.00 0.25 N ATOM 1705 CA VAL A 109 7.512 -10.015 2.405 1.00 0.21 C ATOM 1706 C VAL A 109 6.728 -9.041 3.284 1.00 0.18 C ATOM 1707 O VAL A 109 5.567 -9.301 3.620 1.00 0.25 O ATOM 1708 CB VAL A 109 6.857 -10.058 1.002 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.364 -8.919 0.134 1.00 0.31 C ATOM 1710 CG2 VAL A 109 7.101 -11.396 0.309 1.00 0.47 C ATOM 0 H VAL A 109 6.638 -11.683 3.323 1.00 0.25 H new ATOM 0 HA VAL A 109 8.544 -9.681 2.296 1.00 0.21 H new ATOM 0 HB VAL A 109 5.782 -9.942 1.142 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.890 -8.970 -0.846 1.00 0.31 H new ATOM 0 HG12 VAL A 109 7.121 -7.967 0.605 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.445 -9.002 0.019 1.00 0.31 H new ATOM 0 HG21 VAL A 109 6.627 -11.389 -0.672 1.00 0.47 H new ATOM 0 HG22 VAL A 109 8.173 -11.556 0.193 1.00 0.47 H new ATOM 0 HG23 VAL A 109 6.678 -12.200 0.911 1.00 0.47 H new ATOM 1720 N PRO A 110 7.344 -7.915 3.675 1.00 0.15 N ATOM 1721 CA PRO A 110 6.684 -6.907 4.512 1.00 0.15 C ATOM 1722 C PRO A 110 5.434 -6.344 3.842 1.00 0.14 C ATOM 1723 O PRO A 110 5.522 -5.585 2.872 1.00 0.17 O ATOM 1724 CB PRO A 110 7.742 -5.815 4.678 1.00 0.18 C ATOM 1725 CG PRO A 110 9.040 -6.462 4.343 1.00 0.25 C ATOM 1726 CD PRO A 110 8.730 -7.539 3.344 1.00 0.23 C ATOM 0 HA PRO A 110 6.345 -7.324 5.460 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.542 -4.972 4.017 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.749 -5.427 5.697 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.740 -5.737 3.928 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.507 -6.881 5.234 1.00 0.25 H new ATOM 0 HD2 PRO A 110 8.815 -7.175 2.320 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.411 -8.385 3.439 1.00 0.23 H new ATOM 1734 N MET A 111 4.271 -6.718 4.359 1.00 0.13 N ATOM 1735 CA MET A 111 3.011 -6.268 3.796 1.00 0.14 C ATOM 1736 C MET A 111 2.016 -5.922 4.887 1.00 0.15 C ATOM 1737 O MET A 111 2.105 -6.419 6.008 1.00 0.17 O ATOM 1738 CB MET A 111 2.410 -7.348 2.895 1.00 0.17 C ATOM 1739 CG MET A 111 2.998 -7.372 1.500 1.00 0.24 C ATOM 1740 SD MET A 111 2.436 -8.792 0.544 1.00 0.34 S ATOM 1741 CE MET A 111 3.465 -8.636 -0.909 1.00 0.79 C ATOM 0 H MET A 111 4.177 -7.332 5.168 1.00 0.13 H new ATOM 0 HA MET A 111 3.216 -5.374 3.208 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.561 -8.322 3.360 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.334 -7.192 2.824 1.00 0.17 H new ATOM 0 HG2 MET A 111 2.726 -6.455 0.978 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.086 -7.390 1.567 1.00 0.24 H new ATOM 0 HE1 MET A 111 3.154 -9.367 -1.655 1.00 0.79 H new ATOM 0 HE2 MET A 111 3.364 -7.632 -1.321 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.506 -8.814 -0.639 1.00 0.79 H new ATOM 1751 N VAL A 112 1.078 -5.057 4.548 1.00 0.16 N ATOM 1752 CA VAL A 112 0.030 -4.646 5.463 1.00 0.16 C ATOM 1753 C VAL A 112 -1.302 -4.662 4.728 1.00 0.17 C ATOM 1754 O VAL A 112 -1.439 -4.044 3.668 1.00 0.17 O ATOM 1755 CB VAL A 112 0.294 -3.234 6.041 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.937 -2.699 6.756 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.484 -3.249 6.990 1.00 0.21 C ATOM 0 H VAL A 112 1.022 -4.619 3.629 1.00 0.16 H new ATOM 0 HA VAL A 112 0.010 -5.344 6.300 1.00 0.16 H new ATOM 0 HB VAL A 112 0.524 -2.573 5.205 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.725 -1.706 7.153 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.768 -2.639 6.054 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -1.201 -3.368 7.575 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.649 -2.246 7.383 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.283 -3.933 7.815 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.373 -3.579 6.453 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.268 -5.392 5.267 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.579 -5.481 4.654 1.00 0.19 C ATOM 1769 C LEU A 113 -4.427 -4.300 5.093 1.00 0.20 C ATOM 1770 O LEU A 113 -4.671 -4.102 6.286 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.253 -6.798 5.028 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.485 -7.168 4.193 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -5.142 -7.212 2.710 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -6.061 -8.500 4.657 1.00 0.29 C ATOM 0 H LEU A 113 -2.165 -5.930 6.127 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.470 -5.454 3.570 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.520 -7.600 4.938 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.547 -6.751 6.077 1.00 0.23 H new ATOM 0 HG LEU A 113 -6.242 -6.398 4.338 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -6.032 -7.477 2.138 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.783 -6.234 2.390 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.365 -7.957 2.538 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.935 -8.748 4.054 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.309 -9.281 4.544 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.352 -8.425 5.705 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.873 -3.515 4.131 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.662 -2.332 4.426 1.00 0.28 C ATOM 1788 C VAL A 114 -7.016 -2.355 3.725 1.00 0.24 C ATOM 1789 O VAL A 114 -7.103 -2.626 2.527 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.913 -1.052 4.004 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.649 0.183 4.488 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.483 -1.063 4.517 1.00 0.59 C ATOM 0 H VAL A 114 -4.703 -3.674 3.138 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.824 -2.333 5.504 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.878 -1.025 2.915 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -5.104 1.075 4.180 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.650 0.202 4.057 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.722 0.160 5.575 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.978 -0.149 4.205 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.487 -1.122 5.605 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.957 -1.926 4.109 1.00 0.59 H new ATOM 1802 N GLY A 115 -8.070 -2.085 4.483 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.405 -2.034 3.921 1.00 0.19 C ATOM 1804 C GLY A 115 -9.899 -0.607 3.869 1.00 0.19 C ATOM 1805 O GLY A 115 -10.421 -0.096 4.857 1.00 0.27 O ATOM 0 H GLY A 115 -8.023 -1.899 5.485 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.401 -2.461 2.918 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -10.083 -2.639 4.523 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.734 0.033 2.721 1.00 0.16 N ATOM 1810 CA ASN A 116 -10.122 1.432 2.558 1.00 0.15 C ATOM 1811 C ASN A 116 -11.626 1.585 2.358 1.00 0.16 C ATOM 1812 O ASN A 116 -12.323 0.622 2.021 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.372 2.057 1.373 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.514 3.571 1.308 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.700 4.241 2.325 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.425 4.126 0.110 1.00 0.21 N ATOM 0 H ASN A 116 -9.333 -0.393 1.885 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.853 1.954 3.476 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.315 1.800 1.443 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.745 1.623 0.445 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.511 5.137 0.009 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.271 3.542 -0.712 1.00 0.21 H new ATOM 1823 N LYS A 117 -12.111 2.809 2.586 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.520 3.154 2.427 1.00 0.21 C ATOM 1825 C LYS A 117 -14.386 2.376 3.415 1.00 0.23 C ATOM 1826 O LYS A 117 -15.519 2.007 3.109 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.974 2.899 0.985 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.126 3.608 -0.064 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.559 3.249 -1.477 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.615 3.835 -2.516 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.206 3.812 -3.883 1.00 0.54 N ATOM 0 H LYS A 117 -11.530 3.591 2.888 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.639 4.216 2.642 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.952 1.827 0.792 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -15.010 3.221 0.878 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.201 4.686 0.076 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -12.078 3.341 0.074 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.592 2.165 -1.584 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.570 3.617 -1.653 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.369 4.862 -2.245 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.681 3.273 -2.515 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.445 3.857 -4.591 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.748 2.934 -4.012 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -13.838 4.629 -4.002 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.852 2.162 4.616 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.568 1.435 5.660 1.00 0.33 C ATOM 1847 C CYS A 118 -15.751 2.243 6.194 1.00 0.38 C ATOM 1848 O CYS A 118 -16.609 1.719 6.910 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.622 1.094 6.810 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.891 2.533 7.624 1.00 0.41 S ATOM 0 H CYS A 118 -12.923 2.483 4.890 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.952 0.516 5.217 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -14.166 0.509 7.552 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.821 0.460 6.430 1.00 0.36 H new ATOM 0 HG CYS A 118 -12.108 2.138 8.584 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.782 3.524 5.853 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.849 4.416 6.286 1.00 0.45 C ATOM 1858 C ASP A 119 -18.073 4.281 5.384 1.00 0.46 C ATOM 1859 O ASP A 119 -19.141 4.809 5.691 1.00 0.54 O ATOM 1860 CB ASP A 119 -16.365 5.871 6.290 1.00 0.52 C ATOM 1861 CG ASP A 119 -16.172 6.430 4.891 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -15.158 6.084 4.245 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -17.029 7.218 4.433 1.00 0.70 O ATOM 0 H ASP A 119 -15.073 3.972 5.272 1.00 0.38 H new ATOM 0 HA ASP A 119 -17.131 4.132 7.300 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -17.086 6.488 6.827 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.423 5.935 6.835 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.919 3.574 4.274 1.00 0.42 N ATOM 1869 CA LEU A 120 -19.016 3.383 3.341 1.00 0.45 C ATOM 1870 C LEU A 120 -19.908 2.231 3.788 1.00 0.42 C ATOM 1871 O LEU A 120 -19.428 1.222 4.305 1.00 0.44 O ATOM 1872 CB LEU A 120 -18.487 3.118 1.927 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.780 4.296 1.254 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -17.382 3.935 -0.172 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -18.667 5.536 1.269 1.00 0.62 C ATOM 0 H LEU A 120 -17.046 3.124 3.999 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.607 4.299 3.326 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.794 2.278 1.969 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -19.322 2.811 1.298 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.874 4.520 1.817 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.880 4.784 -0.636 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.707 3.079 -0.156 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -18.274 3.683 -0.746 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -18.146 6.362 0.786 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -19.593 5.328 0.733 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.898 5.806 2.300 1.00 0.62 H new ATOM 1887 N PRO A 121 -21.227 2.381 3.616 1.00 0.42 N ATOM 1888 CA PRO A 121 -22.181 1.344 3.987 1.00 0.43 C ATOM 1889 C PRO A 121 -22.193 0.202 2.972 1.00 0.48 C ATOM 1890 O PRO A 121 -21.443 0.225 1.993 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.518 2.078 3.979 1.00 0.44 C ATOM 1892 CG PRO A 121 -23.342 3.200 3.016 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.886 3.574 3.048 1.00 0.44 C ATOM 0 HA PRO A 121 -21.943 0.882 4.945 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -24.328 1.417 3.670 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.770 2.448 4.973 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.642 2.899 2.012 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.966 4.050 3.294 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -21.510 3.802 2.051 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.713 4.457 3.663 1.00 0.44 H new ATOM 1901 N SER A 122 -23.056 -0.787 3.209 1.00 0.52 N ATOM 1902 CA SER A 122 -23.186 -1.946 2.325 1.00 0.59 C ATOM 1903 C SER A 122 -21.890 -2.759 2.290 1.00 0.53 C ATOM 1904 O SER A 122 -21.424 -3.168 1.223 1.00 0.55 O ATOM 1905 CB SER A 122 -23.580 -1.498 0.912 1.00 0.68 C ATOM 1906 OG SER A 122 -24.592 -0.503 0.964 1.00 0.84 O ATOM 0 H SER A 122 -23.681 -0.808 4.015 1.00 0.52 H new ATOM 0 HA SER A 122 -23.974 -2.588 2.720 1.00 0.59 H new ATOM 0 HB2 SER A 122 -22.705 -1.107 0.392 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.935 -2.355 0.339 1.00 0.68 H new ATOM 0 HG SER A 122 -24.828 -0.229 0.053 1.00 0.84 H new ATOM 1912 N ARG A 123 -21.322 -3.002 3.470 1.00 0.47 N ATOM 1913 CA ARG A 123 -20.088 -3.769 3.583 1.00 0.41 C ATOM 1914 C ARG A 123 -20.275 -5.167 2.999 1.00 0.36 C ATOM 1915 O ARG A 123 -21.173 -5.904 3.416 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.652 -3.868 5.046 1.00 0.45 C ATOM 1917 CG ARG A 123 -18.347 -4.616 5.233 1.00 0.42 C ATOM 1918 CD ARG A 123 -18.057 -4.867 6.699 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.632 -3.654 7.404 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.387 -3.445 7.828 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.450 -4.356 7.615 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -16.080 -2.323 8.473 1.00 0.58 N ATOM 0 H ARG A 123 -21.699 -2.677 4.361 1.00 0.47 H new ATOM 0 HA ARG A 123 -19.311 -3.253 3.019 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.549 -2.863 5.456 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.434 -4.367 5.618 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -18.392 -5.567 4.702 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.531 -4.043 4.792 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -18.950 -5.268 7.179 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.279 -5.626 6.787 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.329 -2.930 7.580 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.681 -5.220 7.125 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.497 -4.193 7.941 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.799 -1.620 8.644 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -15.126 -2.166 8.797 1.00 0.58 H new ATOM 1936 N THR A 124 -19.449 -5.523 2.028 1.00 0.33 N ATOM 1937 CA THR A 124 -19.541 -6.828 1.391 1.00 0.32 C ATOM 1938 C THR A 124 -18.483 -7.783 1.939 1.00 0.30 C ATOM 1939 O THR A 124 -18.657 -9.004 1.913 1.00 0.33 O ATOM 1940 CB THR A 124 -19.388 -6.698 -0.133 1.00 0.38 C ATOM 1941 OG1 THR A 124 -19.759 -5.373 -0.537 1.00 0.65 O ATOM 1942 CG2 THR A 124 -20.257 -7.721 -0.859 1.00 0.81 C ATOM 0 H THR A 124 -18.707 -4.926 1.663 1.00 0.33 H new ATOM 0 HA THR A 124 -20.526 -7.238 1.615 1.00 0.32 H new ATOM 0 HB THR A 124 -18.347 -6.888 -0.395 1.00 0.38 H new ATOM 0 HG1 THR A 124 -19.661 -5.288 -1.508 1.00 0.65 H new ATOM 0 HG21 THR A 124 -20.130 -7.607 -1.936 1.00 0.81 H new ATOM 0 HG22 THR A 124 -19.959 -8.727 -0.563 1.00 0.81 H new ATOM 0 HG23 THR A 124 -21.303 -7.560 -0.598 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.398 -7.221 2.452 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.322 -8.019 3.013 1.00 0.32 C ATOM 1952 C VAL A 125 -16.346 -7.964 4.533 1.00 0.35 C ATOM 1953 O VAL A 125 -16.095 -6.915 5.129 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.941 -7.542 2.519 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.864 -8.542 2.900 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.955 -7.309 1.013 1.00 0.28 C ATOM 0 H VAL A 125 -17.241 -6.214 2.490 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.481 -9.044 2.678 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.714 -6.593 3.005 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.897 -8.189 2.543 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.834 -8.649 3.984 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -14.087 -9.508 2.446 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.970 -6.973 0.688 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -15.208 -8.239 0.503 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.697 -6.548 0.769 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.670 -9.089 5.158 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.716 -9.168 6.616 1.00 0.41 C ATOM 1968 C ASP A 126 -15.321 -8.965 7.186 1.00 0.36 C ATOM 1969 O ASP A 126 -14.344 -9.455 6.617 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.261 -10.522 7.074 1.00 0.47 C ATOM 1971 CG ASP A 126 -18.772 -10.561 7.132 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -19.384 -9.575 7.598 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -19.357 -11.581 6.712 1.00 1.69 O ATOM 0 H ASP A 126 -16.905 -9.959 4.681 1.00 0.37 H new ATOM 0 HA ASP A 126 -17.381 -8.385 6.980 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -16.909 -11.298 6.395 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.859 -10.755 8.060 1.00 0.47 H new ATOM 1978 N THR A 127 -15.238 -8.256 8.306 1.00 0.36 N ATOM 1979 CA THR A 127 -13.969 -7.965 8.971 1.00 0.33 C ATOM 1980 C THR A 127 -13.174 -9.235 9.276 1.00 0.27 C ATOM 1981 O THR A 127 -11.940 -9.227 9.297 1.00 0.26 O ATOM 1982 CB THR A 127 -14.230 -7.204 10.288 1.00 0.39 C ATOM 1983 OG1 THR A 127 -15.601 -6.767 10.334 1.00 0.82 O ATOM 1984 CG2 THR A 127 -13.307 -6.003 10.409 1.00 0.56 C ATOM 0 H THR A 127 -16.051 -7.864 8.782 1.00 0.36 H new ATOM 0 HA THR A 127 -13.379 -7.353 8.289 1.00 0.33 H new ATOM 0 HB THR A 127 -14.033 -7.879 11.121 1.00 0.39 H new ATOM 0 HG1 THR A 127 -15.763 -6.286 11.172 1.00 0.82 H new ATOM 0 HG21 THR A 127 -13.509 -5.482 11.345 1.00 0.56 H new ATOM 0 HG22 THR A 127 -12.270 -6.338 10.397 1.00 0.56 H new ATOM 0 HG23 THR A 127 -13.479 -5.326 9.572 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.891 -10.326 9.502 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.271 -11.607 9.812 1.00 0.27 C ATOM 1994 C LYS A 128 -12.512 -12.172 8.614 1.00 0.24 C ATOM 1995 O LYS A 128 -11.461 -12.787 8.777 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.335 -12.610 10.265 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.770 -13.973 10.635 1.00 0.39 C ATOM 1998 CD LYS A 128 -14.856 -15.033 10.664 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.300 -16.398 11.041 1.00 0.54 C ATOM 2000 NZ LYS A 128 -13.545 -17.027 9.926 1.00 0.62 N ATOM 0 H LYS A 128 -14.910 -10.350 9.476 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.556 -11.440 10.617 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.865 -12.201 11.125 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.068 -12.734 9.468 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.001 -14.257 9.916 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -13.289 -13.916 11.611 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.627 -14.744 11.378 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.333 -15.092 9.686 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.646 -16.295 11.907 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.120 -17.053 11.337 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.608 -18.062 10.004 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -13.950 -16.723 9.018 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -12.548 -16.737 9.975 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.026 -11.925 7.413 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.413 -12.448 6.194 1.00 0.26 C ATOM 2016 C GLN A 129 -10.977 -11.962 6.024 1.00 0.25 C ATOM 2017 O GLN A 129 -10.052 -12.766 5.916 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.239 -12.054 4.972 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.652 -12.613 4.981 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.424 -12.289 3.717 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -16.613 -11.978 3.766 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -14.763 -12.380 2.575 1.00 0.93 N ATOM 0 H GLN A 129 -13.865 -11.366 7.257 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.391 -13.534 6.284 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.289 -10.967 4.914 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -12.728 -12.398 4.073 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.608 -13.695 5.106 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.190 -12.214 5.841 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -13.777 -12.641 2.576 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -15.239 -12.189 1.693 1.00 0.93 H new ATOM 2031 N ALA A 130 -10.795 -10.647 6.003 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.468 -10.069 5.836 1.00 0.27 C ATOM 2033 C ALA A 130 -8.564 -10.404 7.012 1.00 0.25 C ATOM 2034 O ALA A 130 -7.379 -10.672 6.827 1.00 0.27 O ATOM 2035 CB ALA A 130 -9.546 -8.565 5.638 1.00 0.30 C ATOM 0 H ALA A 130 -11.546 -9.964 6.099 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.033 -10.511 4.939 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -8.541 -8.161 5.516 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.136 -8.345 4.748 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.018 -8.108 6.508 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.127 -10.410 8.217 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.353 -10.722 9.410 1.00 0.26 C ATOM 2043 C GLN A 131 -7.828 -12.151 9.334 1.00 0.27 C ATOM 2044 O GLN A 131 -6.659 -12.414 9.621 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.212 -10.538 10.661 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.409 -10.325 11.934 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.543 -9.082 11.875 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.375 -9.137 11.491 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -8.113 -7.954 12.263 1.00 0.42 N ATOM 0 H GLN A 131 -10.111 -10.203 8.391 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.505 -10.040 9.468 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.873 -9.684 10.513 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.847 -11.415 10.786 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -9.091 -10.249 12.781 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.777 -11.196 12.111 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -9.084 -7.954 12.574 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -7.581 -7.084 12.251 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.701 -13.064 8.916 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.353 -14.471 8.773 1.00 0.33 C ATOM 2060 C ASP A 132 -7.312 -14.649 7.676 1.00 0.28 C ATOM 2061 O ASP A 132 -6.393 -15.461 7.794 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.600 -15.292 8.431 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.163 -16.064 9.610 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -9.859 -15.713 10.765 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -10.921 -17.033 9.378 1.00 1.18 O ATOM 0 H ASP A 132 -9.667 -12.848 8.668 1.00 0.29 H new ATOM 0 HA ASP A 132 -7.940 -14.821 9.719 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.370 -14.624 8.044 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.356 -15.992 7.632 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.466 -13.879 6.605 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.548 -13.928 5.475 1.00 0.26 C ATOM 2072 C LEU A 133 -5.175 -13.376 5.863 1.00 0.21 C ATOM 2073 O LEU A 133 -4.140 -13.927 5.480 1.00 0.20 O ATOM 2074 CB LEU A 133 -7.127 -13.140 4.292 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.216 -13.038 3.067 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -5.927 -14.415 2.496 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.844 -12.154 2.007 1.00 0.44 C ATOM 0 H LEU A 133 -8.226 -13.207 6.496 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.422 -14.969 5.178 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -8.064 -13.607 3.990 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.367 -12.132 4.631 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.274 -12.589 3.382 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.278 -14.319 1.626 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -5.433 -15.026 3.252 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -6.862 -14.890 2.200 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -6.181 -12.094 1.144 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.801 -12.577 1.701 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -7.002 -11.155 2.413 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.175 -12.290 6.630 1.00 0.21 N ATOM 2090 CA ALA A 134 -3.944 -11.654 7.079 1.00 0.21 C ATOM 2091 C ALA A 134 -3.176 -12.582 8.010 1.00 0.22 C ATOM 2092 O ALA A 134 -1.950 -12.673 7.940 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.258 -10.336 7.773 1.00 0.25 C ATOM 0 H ALA A 134 -6.025 -11.829 6.956 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.318 -11.448 6.211 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.330 -9.869 8.104 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.770 -9.671 7.077 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -4.899 -10.522 8.635 1.00 0.25 H new ATOM 2099 N ARG A 135 -3.912 -13.294 8.857 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.301 -14.218 9.802 1.00 0.30 C ATOM 2101 C ARG A 135 -2.570 -15.338 9.068 1.00 0.25 C ATOM 2102 O ARG A 135 -1.515 -15.795 9.504 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.363 -14.811 10.727 1.00 0.41 C ATOM 2104 CG ARG A 135 -3.789 -15.490 11.965 1.00 1.21 C ATOM 2105 CD ARG A 135 -4.864 -16.198 12.776 1.00 1.34 C ATOM 2106 NE ARG A 135 -5.958 -15.297 13.153 1.00 1.20 N ATOM 2107 CZ ARG A 135 -7.190 -15.361 12.638 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -7.488 -16.275 11.729 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -8.131 -14.507 13.026 1.00 1.43 N ATOM 0 H ARG A 135 -4.930 -13.248 8.907 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.578 -13.663 10.399 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.042 -14.018 11.041 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -4.955 -15.536 10.168 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -3.029 -16.210 11.664 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -3.294 -14.747 12.590 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.264 -17.030 12.197 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -4.418 -16.621 13.676 1.00 1.34 H new ATOM 0 HE ARG A 135 -5.767 -14.578 13.851 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -6.776 -16.936 11.418 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -8.430 -16.319 11.340 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -7.917 -13.794 13.723 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -9.068 -14.564 12.627 1.00 1.43 H new ATOM 2123 N SER A 136 -3.138 -15.780 7.953 1.00 0.30 N ATOM 2124 CA SER A 136 -2.532 -16.840 7.156 1.00 0.34 C ATOM 2125 C SER A 136 -1.249 -16.357 6.481 1.00 0.29 C ATOM 2126 O SER A 136 -0.355 -17.145 6.182 1.00 0.36 O ATOM 2127 CB SER A 136 -3.516 -17.324 6.095 1.00 0.43 C ATOM 2128 OG SER A 136 -4.773 -17.644 6.666 1.00 0.68 O ATOM 0 H SER A 136 -4.017 -15.421 7.580 1.00 0.30 H new ATOM 0 HA SER A 136 -2.282 -17.663 7.825 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.645 -16.552 5.336 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.109 -18.201 5.592 1.00 0.43 H new ATOM 0 HG SER A 136 -5.233 -16.819 6.928 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.167 -15.053 6.247 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.002 -14.465 5.600 1.00 0.26 C ATOM 2136 C TYR A 137 1.038 -14.028 6.628 1.00 0.25 C ATOM 2137 O TYR A 137 2.212 -13.857 6.300 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.425 -13.265 4.743 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.104 -13.628 3.440 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -1.620 -14.900 3.226 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -1.235 -12.690 2.423 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -2.242 -15.228 2.039 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -1.859 -13.012 1.232 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.360 -14.282 1.045 1.00 0.63 C ATOM 2145 OH TYR A 137 -2.974 -14.608 -0.142 1.00 0.77 O ATOM 0 H TYR A 137 -1.894 -14.383 6.496 1.00 0.27 H new ATOM 0 HA TYR A 137 0.448 -15.225 4.961 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.100 -12.639 5.327 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.457 -12.664 4.522 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -1.533 -15.645 4.003 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -0.843 -11.694 2.565 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -2.635 -16.223 1.890 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -1.953 -12.271 0.452 1.00 0.65 H new ATOM 0 HH TYR A 137 -3.652 -15.297 0.019 1.00 0.77 H new ATOM 2155 N GLY A 138 0.606 -13.859 7.872 1.00 0.24 N ATOM 2156 CA GLY A 138 1.514 -13.434 8.917 1.00 0.23 C ATOM 2157 C GLY A 138 1.724 -11.934 8.896 1.00 0.21 C ATOM 2158 O GLY A 138 2.775 -11.442 9.307 1.00 0.25 O ATOM 0 H GLY A 138 -0.357 -14.009 8.174 1.00 0.24 H new ATOM 0 HA2 GLY A 138 1.118 -13.733 9.888 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.473 -13.938 8.794 1.00 0.23 H new ATOM 2162 N ILE A 139 0.723 -11.210 8.405 1.00 0.19 N ATOM 2163 CA ILE A 139 0.783 -9.757 8.308 1.00 0.20 C ATOM 2164 C ILE A 139 -0.422 -9.139 9.014 1.00 0.19 C ATOM 2165 O ILE A 139 -1.428 -9.817 9.224 1.00 0.22 O ATOM 2166 CB ILE A 139 0.819 -9.289 6.830 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.482 -9.655 6.111 1.00 0.26 C ATOM 2168 CG2 ILE A 139 2.014 -9.902 6.113 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -0.691 -8.890 4.824 1.00 0.51 C ATOM 0 H ILE A 139 -0.150 -11.613 8.064 1.00 0.19 H new ATOM 0 HA ILE A 139 1.702 -9.426 8.791 1.00 0.20 H new ATOM 0 HB ILE A 139 0.920 -8.204 6.816 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.481 -10.723 5.894 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.323 -9.466 6.778 1.00 0.26 H new ATOM 0 HG21 ILE A 139 2.028 -9.566 5.076 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.934 -9.591 6.608 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.937 -10.989 6.141 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.631 -9.198 4.366 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -0.724 -7.822 5.037 1.00 0.51 H new ATOM 0 HD13 ILE A 139 0.131 -9.098 4.139 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.339 -7.855 9.405 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.432 -7.166 10.090 1.00 0.19 C ATOM 2183 C PRO A 140 -2.494 -6.631 9.128 1.00 0.16 C ATOM 2184 O PRO A 140 -2.246 -6.462 7.928 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.714 -6.016 10.795 1.00 0.24 C ATOM 2186 CG PRO A 140 0.449 -5.697 9.921 1.00 0.36 C ATOM 2187 CD PRO A 140 0.831 -6.977 9.221 1.00 0.20 C ATOM 0 HA PRO A 140 -1.981 -7.829 10.758 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -1.370 -5.153 10.911 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.389 -6.306 11.794 1.00 0.24 H new ATOM 0 HG2 PRO A 140 0.189 -4.924 9.198 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.282 -5.315 10.510 1.00 0.36 H new ATOM 0 HD2 PRO A 140 1.038 -6.806 8.165 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.730 -7.415 9.655 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.675 -6.363 9.671 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.793 -5.853 8.895 1.00 0.19 C ATOM 2197 C PHE A 141 -5.482 -4.716 9.643 1.00 0.19 C ATOM 2198 O PHE A 141 -5.781 -4.836 10.831 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.796 -6.979 8.599 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.172 -6.496 8.226 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.375 -5.739 7.081 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.261 -6.799 9.025 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.638 -5.293 6.744 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.526 -6.356 8.694 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.716 -5.602 7.554 1.00 0.35 C ATOM 0 H PHE A 141 -3.882 -6.494 10.661 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.412 -5.468 7.949 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.406 -7.594 7.788 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.874 -7.621 9.476 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.536 -5.496 6.446 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.119 -7.389 9.918 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.784 -4.704 5.850 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.366 -6.599 9.327 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.705 -5.254 7.295 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.722 -3.612 8.946 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.385 -2.454 9.537 1.00 0.21 C ATOM 2217 C ILE A 142 -7.317 -1.797 8.519 1.00 0.19 C ATOM 2218 O ILE A 142 -6.952 -1.637 7.352 1.00 0.20 O ATOM 2219 CB ILE A 142 -5.360 -1.405 10.051 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -4.666 -1.910 11.321 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -6.032 -0.061 10.318 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -3.660 -0.937 11.904 1.00 0.54 C ATOM 0 H ILE A 142 -5.466 -3.493 7.966 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.965 -2.812 10.388 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.611 -1.262 9.272 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -5.423 -2.128 12.074 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -4.160 -2.849 11.097 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -5.290 0.652 10.676 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.478 0.312 9.396 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.809 -0.186 11.072 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -3.213 -1.369 12.800 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.880 -0.737 11.170 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -4.163 -0.005 12.162 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.526 -1.458 8.954 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.496 -0.796 8.088 1.00 0.21 C ATOM 2236 C GLU A 143 -9.227 0.697 8.093 1.00 0.21 C ATOM 2237 O GLU A 143 -8.966 1.277 9.148 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.928 -1.055 8.561 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.191 -2.485 8.990 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.656 -2.848 8.897 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -13.473 -2.260 9.642 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -12.998 -3.720 8.075 1.00 0.88 O ATOM 0 H GLU A 143 -8.858 -1.631 9.903 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.392 -1.198 7.080 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -11.149 -0.390 9.396 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.617 -0.796 7.757 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -10.610 -3.163 8.365 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.848 -2.624 10.015 1.00 0.34 H new ATOM 2249 N THR A 144 -9.298 1.326 6.932 1.00 0.24 N ATOM 2250 CA THR A 144 -9.038 2.751 6.839 1.00 0.27 C ATOM 2251 C THR A 144 -10.028 3.445 5.914 1.00 0.26 C ATOM 2252 O THR A 144 -10.848 2.809 5.252 1.00 0.28 O ATOM 2253 CB THR A 144 -7.607 3.034 6.326 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.470 2.593 4.970 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.562 2.340 7.186 1.00 0.36 C ATOM 0 H THR A 144 -9.532 0.876 6.047 1.00 0.24 H new ATOM 0 HA THR A 144 -9.149 3.146 7.849 1.00 0.27 H new ATOM 0 HB THR A 144 -7.445 4.110 6.382 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.561 2.779 4.656 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.567 2.560 6.798 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.639 2.699 8.212 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.730 1.263 7.165 1.00 0.36 H new ATOM 2263 N SER A 145 -9.941 4.759 5.891 1.00 0.25 N ATOM 2264 CA SER A 145 -10.773 5.581 5.045 1.00 0.26 C ATOM 2265 C SER A 145 -9.984 6.817 4.669 1.00 0.26 C ATOM 2266 O SER A 145 -9.507 7.540 5.542 1.00 0.30 O ATOM 2267 CB SER A 145 -12.067 5.968 5.764 1.00 0.27 C ATOM 2268 OG SER A 145 -12.795 6.933 5.023 1.00 0.33 O ATOM 0 H SER A 145 -9.284 5.288 6.465 1.00 0.25 H new ATOM 0 HA SER A 145 -11.052 5.026 4.149 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.682 5.081 5.914 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.833 6.365 6.752 1.00 0.27 H new ATOM 0 HG SER A 145 -13.702 6.602 4.857 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.823 7.051 3.377 1.00 0.33 N ATOM 2275 CA ALA A 146 -9.064 8.201 2.905 1.00 0.34 C ATOM 2276 C ALA A 146 -9.810 9.502 3.169 1.00 0.29 C ATOM 2277 O ALA A 146 -9.245 10.589 3.041 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.753 8.058 1.425 1.00 0.45 C ATOM 0 H ALA A 146 -10.206 6.463 2.637 1.00 0.33 H new ATOM 0 HA ALA A 146 -8.126 8.235 3.460 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -8.185 8.925 1.087 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -8.166 7.154 1.262 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -9.684 7.992 0.862 1.00 0.45 H new ATOM 2284 N LYS A 147 -11.078 9.382 3.538 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.911 10.542 3.814 1.00 0.40 C ATOM 2286 C LYS A 147 -11.740 11.024 5.252 1.00 0.40 C ATOM 2287 O LYS A 147 -11.371 12.173 5.489 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.378 10.213 3.545 1.00 0.50 C ATOM 2289 CG LYS A 147 -13.889 10.765 2.223 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.143 10.043 1.758 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.264 10.155 2.778 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.330 9.148 2.545 1.00 1.32 N ATOM 0 H LYS A 147 -11.553 8.487 3.653 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.593 11.346 3.150 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.507 9.131 3.552 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.987 10.612 4.356 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -14.101 11.829 2.331 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.112 10.670 1.464 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.473 10.461 0.807 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -14.914 8.992 1.582 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -15.856 10.026 3.781 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.695 11.155 2.735 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.243 9.528 2.866 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.384 8.928 1.530 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -17.110 8.281 3.075 1.00 1.32 H new ATOM 2306 N THR A 148 -12.002 10.143 6.211 1.00 0.37 N ATOM 2307 CA THR A 148 -11.889 10.497 7.621 1.00 0.41 C ATOM 2308 C THR A 148 -10.470 10.298 8.133 1.00 0.42 C ATOM 2309 O THR A 148 -10.135 10.717 9.242 1.00 0.49 O ATOM 2310 CB THR A 148 -12.863 9.662 8.466 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.846 8.297 8.026 1.00 0.40 O ATOM 2312 CG2 THR A 148 -14.273 10.215 8.362 1.00 0.52 C ATOM 0 H THR A 148 -12.293 9.181 6.038 1.00 0.37 H new ATOM 0 HA THR A 148 -12.143 11.553 7.714 1.00 0.41 H new ATOM 0 HB THR A 148 -12.545 9.711 9.507 1.00 0.43 H new ATOM 0 HG1 THR A 148 -13.468 7.770 8.570 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.947 9.609 8.968 1.00 0.52 H new ATOM 0 HG22 THR A 148 -14.288 11.244 8.722 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.598 10.189 7.322 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.645 9.651 7.311 1.00 0.39 N ATOM 2321 CA ARG A 149 -8.248 9.372 7.643 1.00 0.46 C ATOM 2322 C ARG A 149 -8.152 8.525 8.909 1.00 0.48 C ATOM 2323 O ARG A 149 -7.282 8.732 9.753 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.445 10.672 7.794 1.00 0.54 C ATOM 2325 CG ARG A 149 -5.949 10.471 7.639 1.00 0.98 C ATOM 2326 CD ARG A 149 -5.204 11.788 7.557 1.00 0.93 C ATOM 2327 NE ARG A 149 -3.766 11.592 7.704 1.00 1.19 N ATOM 2328 CZ ARG A 149 -2.847 12.300 7.059 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.207 13.260 6.215 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -1.559 12.043 7.261 1.00 1.39 N ATOM 0 H ARG A 149 -9.927 9.305 6.394 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.814 8.805 6.819 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -7.787 11.392 7.050 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -7.647 11.105 8.774 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -5.572 9.893 8.483 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -5.753 9.887 6.740 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -5.412 12.267 6.600 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -5.563 12.461 8.336 1.00 0.93 H new ATOM 0 HE ARG A 149 -3.446 10.864 8.343 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -4.195 13.457 6.059 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.495 13.800 5.723 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -1.282 11.305 7.909 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -0.848 12.583 6.768 1.00 1.39 H new ATOM 2344 N GLN A 150 -9.047 7.556 9.032 1.00 0.40 N ATOM 2345 CA GLN A 150 -9.066 6.676 10.190 1.00 0.42 C ATOM 2346 C GLN A 150 -8.103 5.510 9.999 1.00 0.42 C ATOM 2347 O GLN A 150 -8.281 4.692 9.099 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.484 6.151 10.429 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.583 5.100 11.524 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.996 4.594 11.727 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.970 5.326 11.566 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -12.113 3.329 12.076 1.00 0.87 N ATOM 0 H GLN A 150 -9.772 7.359 8.342 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.746 7.248 11.061 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -11.131 6.989 10.686 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.864 5.728 9.499 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.934 4.261 11.275 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.215 5.521 12.460 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -11.279 2.755 12.200 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -13.038 2.924 12.223 1.00 0.87 H new ATOM 2361 N GLY A 151 -7.071 5.466 10.834 1.00 0.42 N ATOM 2362 CA GLY A 151 -6.092 4.395 10.775 1.00 0.51 C ATOM 2363 C GLY A 151 -5.215 4.463 9.543 1.00 0.45 C ATOM 2364 O GLY A 151 -4.424 3.553 9.283 1.00 0.42 O ATOM 0 H GLY A 151 -6.893 6.161 11.559 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.463 4.435 11.665 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.609 3.436 10.794 1.00 0.51 H new ATOM 2368 N VAL A 152 -5.336 5.554 8.800 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.567 5.743 7.580 1.00 0.50 C ATOM 2370 C VAL A 152 -3.079 5.858 7.890 1.00 0.39 C ATOM 2371 O VAL A 152 -2.257 5.150 7.306 1.00 0.41 O ATOM 2372 CB VAL A 152 -5.055 6.987 6.803 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -4.026 7.433 5.774 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -6.390 6.693 6.131 1.00 0.67 C ATOM 0 H VAL A 152 -5.964 6.326 9.024 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.721 4.867 6.950 1.00 0.50 H new ATOM 0 HB VAL A 152 -5.188 7.802 7.514 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -4.398 8.310 5.244 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -3.092 7.683 6.278 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.850 6.626 5.062 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.725 7.576 5.586 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -6.272 5.861 5.437 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -7.129 6.432 6.889 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.738 6.730 8.823 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.350 6.921 9.207 1.00 0.38 C ATOM 2386 C ASP A 153 -0.825 5.663 9.891 1.00 0.32 C ATOM 2387 O ASP A 153 0.317 5.257 9.684 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.207 8.130 10.137 1.00 0.51 C ATOM 2389 CG ASP A 153 -1.559 9.447 9.460 1.00 0.87 C ATOM 2390 OD1 ASP A 153 -0.636 10.177 9.029 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -2.767 9.763 9.367 1.00 1.24 O ATOM 0 H ASP A 153 -3.402 7.316 9.328 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.762 7.111 8.309 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -1.851 7.991 11.006 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -0.182 8.179 10.504 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.691 5.036 10.685 1.00 0.31 N ATOM 2397 CA ASP A 154 -1.345 3.819 11.420 1.00 0.32 C ATOM 2398 C ASP A 154 -0.933 2.706 10.473 1.00 0.31 C ATOM 2399 O ASP A 154 0.034 1.987 10.729 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.531 3.338 12.263 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.896 4.311 13.361 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -3.705 5.231 13.104 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -2.378 4.168 14.488 1.00 1.00 O ATOM 0 H ASP A 154 -2.648 5.355 10.837 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.507 4.063 12.073 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -3.394 3.186 11.615 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -2.290 2.371 12.705 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.676 2.568 9.382 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.404 1.534 8.390 1.00 0.32 C ATOM 2410 C ALA A 155 0.015 1.633 7.847 1.00 0.29 C ATOM 2411 O ALA A 155 0.731 0.636 7.779 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.405 1.609 7.247 1.00 0.37 C ATOM 0 H ALA A 155 -2.475 3.162 9.161 1.00 0.30 H new ATOM 0 HA ALA A 155 -1.506 0.571 8.890 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -2.184 0.829 6.518 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.413 1.467 7.636 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.336 2.585 6.766 1.00 0.37 H new ATOM 2418 N PHE A 156 0.418 2.840 7.473 1.00 0.28 N ATOM 2419 CA PHE A 156 1.751 3.064 6.928 1.00 0.30 C ATOM 2420 C PHE A 156 2.823 2.926 8.001 1.00 0.29 C ATOM 2421 O PHE A 156 3.887 2.366 7.746 1.00 0.33 O ATOM 2422 CB PHE A 156 1.840 4.438 6.267 1.00 0.36 C ATOM 2423 CG PHE A 156 1.935 4.364 4.773 1.00 0.55 C ATOM 2424 CD1 PHE A 156 3.109 3.951 4.163 1.00 1.21 C ATOM 2425 CD2 PHE A 156 0.851 4.696 3.981 1.00 0.92 C ATOM 2426 CE1 PHE A 156 3.199 3.868 2.789 1.00 1.46 C ATOM 2427 CE2 PHE A 156 0.935 4.617 2.605 1.00 1.05 C ATOM 2428 CZ PHE A 156 2.111 4.200 2.008 1.00 1.11 C ATOM 0 H PHE A 156 -0.159 3.679 7.537 1.00 0.28 H new ATOM 0 HA PHE A 156 1.929 2.298 6.173 1.00 0.30 H new ATOM 0 HB2 PHE A 156 0.963 5.024 6.541 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.711 4.966 6.655 1.00 0.36 H new ATOM 0 HD1 PHE A 156 3.963 3.691 4.770 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.070 5.020 4.443 1.00 0.92 H new ATOM 0 HE1 PHE A 156 4.119 3.544 2.326 1.00 1.46 H new ATOM 0 HE2 PHE A 156 0.083 4.881 1.995 1.00 1.05 H new ATOM 0 HZ PHE A 156 2.178 4.134 0.932 1.00 1.11 H new ATOM 2438 N TYR A 157 2.545 3.427 9.203 1.00 0.29 N ATOM 2439 CA TYR A 157 3.509 3.336 10.296 1.00 0.34 C ATOM 2440 C TYR A 157 3.794 1.873 10.618 1.00 0.32 C ATOM 2441 O TYR A 157 4.923 1.507 10.946 1.00 0.35 O ATOM 2442 CB TYR A 157 3.002 4.072 11.540 1.00 0.43 C ATOM 2443 CG TYR A 157 2.868 5.573 11.356 1.00 0.47 C ATOM 2444 CD1 TYR A 157 3.420 6.216 10.250 1.00 0.86 C ATOM 2445 CD2 TYR A 157 2.179 6.344 12.285 1.00 0.88 C ATOM 2446 CE1 TYR A 157 3.286 7.578 10.077 1.00 0.98 C ATOM 2447 CE2 TYR A 157 2.044 7.708 12.118 1.00 0.98 C ATOM 2448 CZ TYR A 157 2.598 8.320 11.012 1.00 0.79 C ATOM 2449 OH TYR A 157 2.460 9.674 10.842 1.00 0.99 O ATOM 0 H TYR A 157 1.671 3.895 9.443 1.00 0.29 H new ATOM 0 HA TYR A 157 4.435 3.816 9.980 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.032 3.663 11.822 1.00 0.43 H new ATOM 0 HB3 TYR A 157 3.683 3.877 12.368 1.00 0.43 H new ATOM 0 HD1 TYR A 157 3.962 5.638 9.516 1.00 0.86 H new ATOM 0 HD2 TYR A 157 1.742 5.869 13.151 1.00 0.88 H new ATOM 0 HE1 TYR A 157 3.718 8.060 9.213 1.00 0.98 H new ATOM 0 HE2 TYR A 157 1.507 8.293 12.850 1.00 0.98 H new ATOM 0 HH TYR A 157 1.948 10.047 11.589 1.00 0.99 H new ATOM 2459 N THR A 158 2.765 1.040 10.505 1.00 0.29 N ATOM 2460 CA THR A 158 2.914 -0.385 10.751 1.00 0.28 C ATOM 2461 C THR A 158 3.730 -1.014 9.627 1.00 0.25 C ATOM 2462 O THR A 158 4.531 -1.916 9.857 1.00 0.29 O ATOM 2463 CB THR A 158 1.548 -1.095 10.871 1.00 0.29 C ATOM 2464 OG1 THR A 158 0.716 -0.387 11.801 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.721 -2.536 11.341 1.00 0.34 C ATOM 0 H THR A 158 1.822 1.329 10.245 1.00 0.29 H new ATOM 0 HA THR A 158 3.433 -0.509 11.702 1.00 0.28 H new ATOM 0 HB THR A 158 1.080 -1.105 9.887 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.399 0.444 11.389 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.744 -3.014 11.417 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.336 -3.081 10.625 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.206 -2.545 12.317 1.00 0.34 H new ATOM 2473 N LEU A 159 3.541 -0.502 8.411 1.00 0.23 N ATOM 2474 CA LEU A 159 4.280 -0.990 7.252 1.00 0.23 C ATOM 2475 C LEU A 159 5.769 -0.718 7.446 1.00 0.22 C ATOM 2476 O LEU A 159 6.609 -1.561 7.136 1.00 0.21 O ATOM 2477 CB LEU A 159 3.766 -0.322 5.971 1.00 0.25 C ATOM 2478 CG LEU A 159 4.410 -0.806 4.667 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.141 -2.289 4.453 1.00 0.40 C ATOM 2480 CD2 LEU A 159 3.898 0.008 3.486 1.00 0.42 C ATOM 0 H LEU A 159 2.883 0.250 8.205 1.00 0.23 H new ATOM 0 HA LEU A 159 4.128 -2.065 7.154 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.690 -0.483 5.905 1.00 0.25 H new ATOM 0 HB3 LEU A 159 3.923 0.753 6.055 1.00 0.25 H new ATOM 0 HG LEU A 159 5.488 -0.663 4.742 1.00 0.28 H new ATOM 0 HD11 LEU A 159 4.607 -2.613 3.522 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.558 -2.858 5.284 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.066 -2.460 4.399 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.365 -0.349 2.568 1.00 0.42 H new ATOM 0 HD22 LEU A 159 2.816 -0.103 3.409 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.145 1.059 3.634 1.00 0.42 H new ATOM 2492 N VAL A 160 6.084 0.461 7.985 1.00 0.26 N ATOM 2493 CA VAL A 160 7.465 0.839 8.252 1.00 0.29 C ATOM 2494 C VAL A 160 8.079 -0.131 9.258 1.00 0.27 C ATOM 2495 O VAL A 160 9.220 -0.572 9.109 1.00 0.28 O ATOM 2496 CB VAL A 160 7.557 2.275 8.811 1.00 0.37 C ATOM 2497 CG1 VAL A 160 8.991 2.634 9.159 1.00 0.55 C ATOM 2498 CG2 VAL A 160 6.984 3.277 7.819 1.00 0.34 C ATOM 0 H VAL A 160 5.397 1.169 8.244 1.00 0.26 H new ATOM 0 HA VAL A 160 8.012 0.799 7.310 1.00 0.29 H new ATOM 0 HB VAL A 160 6.965 2.316 9.725 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.027 3.651 9.550 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.367 1.942 9.912 1.00 0.55 H new ATOM 0 HG13 VAL A 160 9.610 2.568 8.264 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.059 4.282 8.233 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.545 3.226 6.886 1.00 0.34 H new ATOM 0 HG23 VAL A 160 5.937 3.041 7.627 1.00 0.34 H new ATOM 2508 N ARG A 161 7.296 -0.470 10.275 1.00 0.26 N ATOM 2509 CA ARG A 161 7.736 -1.397 11.304 1.00 0.28 C ATOM 2510 C ARG A 161 7.951 -2.781 10.706 1.00 0.23 C ATOM 2511 O ARG A 161 8.878 -3.492 11.090 1.00 0.23 O ATOM 2512 CB ARG A 161 6.718 -1.451 12.445 1.00 0.37 C ATOM 2513 CG ARG A 161 6.637 -0.151 13.224 1.00 0.51 C ATOM 2514 CD ARG A 161 5.421 -0.109 14.135 1.00 0.61 C ATOM 2515 NE ARG A 161 5.242 1.214 14.732 1.00 0.64 N ATOM 2516 CZ ARG A 161 4.061 1.753 15.035 1.00 0.76 C ATOM 2517 NH1 ARG A 161 2.933 1.090 14.798 1.00 0.82 N ATOM 2518 NH2 ARG A 161 4.008 2.954 15.603 1.00 0.90 N ATOM 0 H ARG A 161 6.349 -0.114 10.407 1.00 0.26 H new ATOM 0 HA ARG A 161 8.684 -1.046 11.711 1.00 0.28 H new ATOM 0 HB2 ARG A 161 5.735 -1.687 12.038 1.00 0.37 H new ATOM 0 HB3 ARG A 161 6.984 -2.260 13.125 1.00 0.37 H new ATOM 0 HG2 ARG A 161 7.541 -0.028 13.820 1.00 0.51 H new ATOM 0 HG3 ARG A 161 6.598 0.687 12.528 1.00 0.51 H new ATOM 0 HD2 ARG A 161 4.530 -0.376 13.566 1.00 0.61 H new ATOM 0 HD3 ARG A 161 5.531 -0.853 14.924 1.00 0.61 H new ATOM 0 HE ARG A 161 6.079 1.762 14.930 1.00 0.64 H new ATOM 0 HH11 ARG A 161 2.966 0.160 14.381 1.00 0.82 H new ATOM 0 HH12 ARG A 161 2.035 1.512 15.034 1.00 0.82 H new ATOM 0 HH21 ARG A 161 4.870 3.461 15.806 1.00 0.90 H new ATOM 0 HH22 ARG A 161 3.106 3.369 15.836 1.00 0.90 H new ATOM 2532 N GLU A 162 7.105 -3.149 9.745 1.00 0.22 N ATOM 2533 CA GLU A 162 7.221 -4.436 9.078 1.00 0.22 C ATOM 2534 C GLU A 162 8.503 -4.482 8.255 1.00 0.21 C ATOM 2535 O GLU A 162 9.182 -5.508 8.205 1.00 0.25 O ATOM 2536 CB GLU A 162 6.001 -4.702 8.192 1.00 0.25 C ATOM 2537 CG GLU A 162 4.753 -5.078 8.977 1.00 0.31 C ATOM 2538 CD GLU A 162 5.009 -6.180 9.985 1.00 0.52 C ATOM 2539 OE1 GLU A 162 5.581 -7.220 9.602 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.642 -6.013 11.169 1.00 0.68 O ATOM 0 H GLU A 162 6.333 -2.571 9.414 1.00 0.22 H new ATOM 0 HA GLU A 162 7.262 -5.218 9.836 1.00 0.22 H new ATOM 0 HB2 GLU A 162 5.793 -3.813 7.597 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.237 -5.505 7.493 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.375 -4.197 9.496 1.00 0.31 H new ATOM 0 HG3 GLU A 162 3.975 -5.398 8.284 1.00 0.31 H new ATOM 2547 N ILE A 163 8.834 -3.361 7.617 1.00 0.20 N ATOM 2548 CA ILE A 163 10.057 -3.265 6.829 1.00 0.23 C ATOM 2549 C ILE A 163 11.258 -3.477 7.737 1.00 0.22 C ATOM 2550 O ILE A 163 12.104 -4.332 7.474 1.00 0.22 O ATOM 2551 CB ILE A 163 10.191 -1.888 6.130 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.086 -1.693 5.092 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.555 -1.753 5.467 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.084 -0.314 4.470 1.00 0.31 C ATOM 0 H ILE A 163 8.273 -2.509 7.631 1.00 0.20 H new ATOM 0 HA ILE A 163 10.015 -4.033 6.057 1.00 0.23 H new ATOM 0 HB ILE A 163 10.092 -1.116 6.893 1.00 0.29 H new ATOM 0 HG12 ILE A 163 9.201 -2.438 4.305 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.119 -1.873 5.563 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.629 -0.780 4.982 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.337 -1.843 6.221 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.677 -2.540 4.722 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.275 -0.244 3.743 1.00 0.31 H new ATOM 0 HD12 ILE A 163 8.939 0.436 5.248 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.037 -0.139 3.971 1.00 0.31 H new ATOM 2566 N ARG A 164 11.297 -2.709 8.828 1.00 0.22 N ATOM 2567 CA ARG A 164 12.376 -2.796 9.803 1.00 0.23 C ATOM 2568 C ARG A 164 12.503 -4.226 10.317 1.00 0.23 C ATOM 2569 O ARG A 164 13.600 -4.773 10.393 1.00 0.25 O ATOM 2570 CB ARG A 164 12.114 -1.842 10.974 1.00 0.26 C ATOM 2571 CG ARG A 164 12.216 -0.369 10.608 1.00 0.33 C ATOM 2572 CD ARG A 164 11.840 0.524 11.782 1.00 0.42 C ATOM 2573 NE ARG A 164 12.087 1.939 11.509 1.00 0.55 N ATOM 2574 CZ ARG A 164 11.608 2.937 12.257 1.00 0.66 C ATOM 2575 NH1 ARG A 164 10.866 2.663 13.319 1.00 0.69 N ATOM 2576 NH2 ARG A 164 11.870 4.199 11.935 1.00 0.87 N ATOM 0 H ARG A 164 10.585 -2.015 9.056 1.00 0.22 H new ATOM 0 HA ARG A 164 13.308 -2.508 9.317 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.119 -2.038 11.373 1.00 0.26 H new ATOM 0 HB3 ARG A 164 12.826 -2.058 11.771 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.233 -0.142 10.288 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.561 -0.157 9.763 1.00 0.33 H new ATOM 0 HD2 ARG A 164 10.786 0.382 12.020 1.00 0.42 H new ATOM 0 HD3 ARG A 164 12.409 0.222 12.661 1.00 0.42 H new ATOM 0 HE ARG A 164 12.659 2.178 10.699 1.00 0.55 H new ATOM 0 HH11 ARG A 164 10.663 1.694 13.563 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.498 3.421 13.893 1.00 0.69 H new ATOM 0 HH21 ARG A 164 12.438 4.408 11.114 1.00 0.87 H new ATOM 0 HH22 ARG A 164 11.503 4.958 12.508 1.00 0.87 H new ATOM 2590 N LYS A 165 11.356 -4.825 10.629 1.00 0.27 N ATOM 2591 CA LYS A 165 11.287 -6.194 11.135 1.00 0.32 C ATOM 2592 C LYS A 165 11.951 -7.188 10.180 1.00 0.31 C ATOM 2593 O LYS A 165 12.688 -8.077 10.608 1.00 0.33 O ATOM 2594 CB LYS A 165 9.819 -6.576 11.353 1.00 0.43 C ATOM 2595 CG LYS A 165 9.604 -7.966 11.931 1.00 0.87 C ATOM 2596 CD LYS A 165 8.125 -8.328 11.970 1.00 0.97 C ATOM 2597 CE LYS A 165 7.370 -7.498 12.997 1.00 0.74 C ATOM 2598 NZ LYS A 165 5.900 -7.690 12.890 1.00 0.80 N ATOM 0 H LYS A 165 10.446 -4.374 10.538 1.00 0.27 H new ATOM 0 HA LYS A 165 11.830 -6.237 12.079 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.363 -5.845 12.020 1.00 0.43 H new ATOM 0 HB3 LYS A 165 9.295 -6.508 10.400 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.144 -8.699 11.331 1.00 0.87 H new ATOM 0 HG3 LYS A 165 10.018 -8.011 12.938 1.00 0.87 H new ATOM 0 HD2 LYS A 165 7.686 -8.174 10.984 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.015 -9.387 12.206 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.700 -7.772 13.999 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.610 -6.444 12.859 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.477 -7.664 13.840 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.492 -6.930 12.308 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 5.701 -8.610 12.447 1.00 0.80 H new ATOM 2612 N HIS A 166 11.697 -7.021 8.892 1.00 0.31 N ATOM 2613 CA HIS A 166 12.255 -7.908 7.873 1.00 0.32 C ATOM 2614 C HIS A 166 13.754 -7.688 7.700 1.00 0.29 C ATOM 2615 O HIS A 166 14.503 -8.636 7.461 1.00 0.34 O ATOM 2616 CB HIS A 166 11.532 -7.686 6.531 1.00 0.37 C ATOM 2617 CG HIS A 166 12.089 -8.480 5.381 1.00 0.46 C ATOM 2618 ND1 HIS A 166 11.584 -9.703 4.996 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.108 -8.214 4.526 1.00 0.54 C ATOM 2620 CE1 HIS A 166 12.269 -10.156 3.965 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.195 -9.271 3.659 1.00 0.67 N ATOM 0 H HIS A 166 11.106 -6.277 8.522 1.00 0.31 H new ATOM 0 HA HIS A 166 12.104 -8.936 8.203 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.479 -7.939 6.654 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.577 -6.626 6.280 1.00 0.37 H new ATOM 0 HD1 HIS A 166 10.801 -10.183 5.440 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.734 -7.334 4.528 1.00 0.54 H new ATOM 0 HE1 HIS A 166 12.100 -11.094 3.457 1.00 0.71 H new ATOM 2630 N LYS A 167 14.194 -6.441 7.819 1.00 0.27 N ATOM 2631 CA LYS A 167 15.607 -6.113 7.634 1.00 0.30 C ATOM 2632 C LYS A 167 16.466 -6.547 8.821 1.00 0.29 C ATOM 2633 O LYS A 167 17.643 -6.866 8.655 1.00 0.40 O ATOM 2634 CB LYS A 167 15.778 -4.615 7.365 1.00 0.37 C ATOM 2635 CG LYS A 167 14.925 -4.116 6.205 1.00 0.45 C ATOM 2636 CD LYS A 167 15.383 -2.759 5.693 1.00 0.62 C ATOM 2637 CE LYS A 167 16.655 -2.882 4.875 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.841 -1.733 3.953 1.00 0.97 N ATOM 0 H LYS A 167 13.599 -5.643 8.041 1.00 0.27 H new ATOM 0 HA LYS A 167 15.956 -6.673 6.766 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.518 -4.058 8.265 1.00 0.37 H new ATOM 0 HB3 LYS A 167 16.827 -4.407 7.153 1.00 0.37 H new ATOM 0 HG2 LYS A 167 14.963 -4.840 5.391 1.00 0.45 H new ATOM 0 HG3 LYS A 167 13.885 -4.049 6.524 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.597 -2.313 5.083 1.00 0.62 H new ATOM 0 HD3 LYS A 167 15.552 -2.088 6.535 1.00 0.62 H new ATOM 0 HE2 LYS A 167 17.511 -2.950 5.546 1.00 1.11 H new ATOM 0 HE3 LYS A 167 16.627 -3.807 4.299 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 17.685 -1.892 3.367 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 16.006 -1.641 3.340 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 16.962 -0.860 4.506 1.00 0.97 H new ATOM 2652 N GLU A 168 15.879 -6.566 10.011 1.00 0.26 N ATOM 2653 CA GLU A 168 16.611 -6.965 11.214 1.00 0.29 C ATOM 2654 C GLU A 168 16.565 -8.479 11.410 1.00 0.33 C ATOM 2655 O GLU A 168 17.298 -9.029 12.231 1.00 0.47 O ATOM 2656 CB GLU A 168 16.039 -6.267 12.451 1.00 0.35 C ATOM 2657 CG GLU A 168 14.554 -6.509 12.641 1.00 0.42 C ATOM 2658 CD GLU A 168 14.074 -6.198 14.041 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.329 -5.075 14.530 1.00 0.94 O ATOM 2660 OE2 GLU A 168 13.420 -7.073 14.649 1.00 1.12 O ATOM 0 H GLU A 168 14.904 -6.312 10.172 1.00 0.26 H new ATOM 0 HA GLU A 168 17.650 -6.663 11.083 1.00 0.29 H new ATOM 0 HB2 GLU A 168 16.573 -6.614 13.335 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.218 -5.195 12.371 1.00 0.35 H new ATOM 0 HG2 GLU A 168 13.999 -5.898 11.929 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.330 -7.550 12.410 1.00 0.42 H new ATOM 2667 N LYS A 169 15.697 -9.144 10.656 1.00 0.34 N ATOM 2668 CA LYS A 169 15.550 -10.588 10.753 1.00 0.41 C ATOM 2669 C LYS A 169 16.793 -11.286 10.213 1.00 0.59 C ATOM 2670 O LYS A 169 17.178 -11.006 9.057 1.00 0.72 O ATOM 2671 CB LYS A 169 14.307 -11.048 9.984 1.00 0.43 C ATOM 2672 CG LYS A 169 13.825 -12.428 10.391 1.00 0.69 C ATOM 2673 CD LYS A 169 12.680 -12.895 9.511 1.00 0.81 C ATOM 2674 CE LYS A 169 11.903 -14.033 10.156 1.00 1.07 C ATOM 2675 NZ LYS A 169 11.301 -13.627 11.454 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.386 -12.109 10.946 1.00 0.82 O ATOM 0 H LYS A 169 15.084 -8.703 9.970 1.00 0.34 H new ATOM 0 HA LYS A 169 15.430 -10.855 11.803 1.00 0.41 H new ATOM 0 HB2 LYS A 169 13.503 -10.329 10.143 1.00 0.43 H new ATOM 0 HB3 LYS A 169 14.528 -11.048 8.917 1.00 0.43 H new ATOM 0 HG2 LYS A 169 14.650 -13.138 10.325 1.00 0.69 H new ATOM 0 HG3 LYS A 169 13.502 -12.410 11.432 1.00 0.69 H new ATOM 0 HD2 LYS A 169 12.007 -12.060 9.315 1.00 0.81 H new ATOM 0 HD3 LYS A 169 13.071 -13.222 8.547 1.00 0.81 H new ATOM 0 HE2 LYS A 169 11.116 -14.365 9.479 1.00 1.07 H new ATOM 0 HE3 LYS A 169 12.567 -14.883 10.314 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 10.483 -14.234 11.662 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 12.008 -13.726 12.211 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 10.991 -12.636 11.398 1.00 1.47 H new TER 2690 LYS A 169 HETATM 2691 PB GDP A 201 -6.299 6.000 -7.423 1.00 0.41 P HETATM 2692 O1B GDP A 201 -6.657 6.471 -8.780 1.00 0.45 O HETATM 2693 O2B GDP A 201 -6.813 4.694 -6.957 1.00 0.53 O HETATM 2694 O3B GDP A 201 -4.692 5.977 -7.316 1.00 0.37 O HETATM 2695 O3A GDP A 201 -6.691 7.125 -6.340 1.00 0.46 O HETATM 2696 PA GDP A 201 -6.969 8.649 -6.782 1.00 0.42 P HETATM 2697 O1A GDP A 201 -6.763 8.772 -8.243 1.00 0.42 O HETATM 2698 O2A GDP A 201 -6.181 9.519 -5.880 1.00 0.45 O HETATM 2699 O5' GDP A 201 -8.536 8.818 -6.455 1.00 0.44 O HETATM 2700 C5' GDP A 201 -9.510 8.451 -7.437 1.00 0.50 C HETATM 2701 C4' GDP A 201 -10.921 8.639 -6.878 1.00 0.48 C HETATM 2702 O4' GDP A 201 -11.063 7.846 -5.685 1.00 0.46 O HETATM 2703 C3' GDP A 201 -11.134 10.086 -6.457 1.00 0.43 C HETATM 2704 O3' GDP A 201 -12.510 10.462 -6.615 1.00 0.47 O HETATM 2705 C2' GDP A 201 -10.763 10.022 -4.989 1.00 0.34 C HETATM 2706 O2' GDP A 201 -11.312 11.134 -4.266 1.00 0.33 O HETATM 2707 C1' GDP A 201 -11.498 8.740 -4.648 1.00 0.36 C HETATM 2708 N9 GDP A 201 -11.180 8.235 -3.293 1.00 0.31 N HETATM 2709 C8 GDP A 201 -9.963 7.959 -2.832 1.00 0.29 C HETATM 2710 N7 GDP A 201 -10.094 7.472 -1.603 1.00 0.28 N HETATM 2711 C5 GDP A 201 -11.389 7.457 -1.298 1.00 0.28 C HETATM 2712 C6 GDP A 201 -12.021 7.067 -0.195 1.00 0.31 C HETATM 2713 O6 GDP A 201 -11.396 6.623 0.768 1.00 0.34 O HETATM 2714 N1 GDP A 201 -13.414 7.168 -0.130 1.00 0.38 N HETATM 2715 C2 GDP A 201 -14.098 7.679 -1.236 1.00 0.42 C HETATM 2716 N2 GDP A 201 -15.419 7.818 -1.211 1.00 0.54 N HETATM 2717 N3 GDP A 201 -13.399 8.046 -2.319 1.00 0.38 N HETATM 2718 C4 GDP A 201 -12.063 7.933 -2.343 1.00 0.31 C HETATM 0 HO3' GDP A 201 -12.817 10.925 -5.808 1.00 0.47 H new HETATM 0 HO2' GDP A 201 -10.811 11.263 -3.434 1.00 0.33 H new HETATM 0 HN22 GDP A 201 -15.908 8.192 -2.024 1.00 0.54 H new HETATM 0 HN21 GDP A 201 -15.944 7.551 -0.379 1.00 0.54 H new HETATM 0 H5'' GDP A 201 -9.382 9.060 -8.332 1.00 0.50 H new HETATM 0 HN1 GDP A 201 -13.920 6.875 0.706 1.00 0.38 H new HETATM 0 H8 GDP A 201 -9.025 8.106 -3.367 1.00 0.29 H new HETATM 0 H5' GDP A 201 -9.364 7.412 -7.734 1.00 0.50 H new HETATM 0 H4' GDP A 201 -11.635 8.350 -7.650 1.00 0.48 H new HETATM 0 H3' GDP A 201 -10.563 10.813 -7.035 1.00 0.43 H new HETATM 0 H2' GDP A 201 -9.698 10.049 -4.759 1.00 0.34 H new HETATM 0 H1' GDP A 201 -12.580 8.867 -4.614 1.00 0.36 H new HETATM 2731 MG MG A 202 -1.902 7.602 -8.070 1.00 0.45 MG HETATM 2732 C5 QPD A 203 10.595 1.288 -5.188 1.00 0.58 C HETATM 2733 O2 QPD A 203 9.223 6.271 -10.796 1.00 1.67 O HETATM 2734 C16 QPD A 203 10.117 2.702 -14.528 1.00 1.69 C HETATM 2735 C14 QPD A 203 10.590 3.890 -12.486 1.00 0.73 C HETATM 2736 C8 QPD A 203 11.056 3.940 -8.579 1.00 0.50 C HETATM 2737 C4 QPD A 203 10.968 2.059 -6.282 1.00 0.55 C HETATM 2738 N1 QPD A 203 9.529 5.131 -5.816 1.00 0.28 N HETATM 2739 C3 QPD A 203 10.771 4.244 -7.316 1.00 0.44 C HETATM 2740 O1 QPD A 203 11.243 2.773 -8.923 1.00 0.68 O HETATM 2741 C2 QPD A 203 10.139 5.362 -6.975 1.00 0.36 C HETATM 2742 C7 QPD A 203 9.398 3.190 -4.377 1.00 0.37 C HETATM 2743 C12 QPD A 203 9.081 5.081 -11.073 1.00 1.47 C HETATM 2744 C18 QPD A 203 11.981 4.223 -14.423 1.00 1.59 C HETATM 2745 C6 QPD A 203 9.793 1.869 -4.214 1.00 0.50 C HETATM 2746 C11 QPD A 203 10.293 4.148 -11.150 1.00 0.91 C HETATM 2747 C15 QPD A 203 9.809 2.989 -13.204 1.00 1.28 C HETATM 2748 C17 QPD A 203 11.203 3.321 -15.138 1.00 1.84 C HETATM 2749 C19 QPD A 203 11.678 4.506 -13.096 1.00 0.95 C HETATM 2750 C4A QPD A 203 10.555 3.320 -6.383 1.00 0.40 C HETATM 2751 C7A QPD A 203 9.786 3.879 -5.450 1.00 0.29 C HETATM 2752 N9 QPD A 203 11.195 4.991 -9.400 1.00 0.60 N HETATM 2753 N10 QPD A 203 11.441 4.774 -10.472 1.00 0.74 N HETATM 2754 N13 QPD A 203 7.904 4.493 -11.264 1.00 2.26 N