USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1235 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 THR OG1 : rot 39:sc= 0.918 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.579 K(o=1.5,f=-3.4!) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -1.59 K(o=-0.9,f=-1.7!) USER MOD Set 2.2: A 129 TYR OH : rot -106:sc= 0.683 USER MOD Set 3.1: A 24 ASN : amide:sc= 0.216 X(o=0.094,f=0) USER MOD Set 3.2: A 26 GLN : amide:sc= -0.122 X(o=0.094,f=0.014) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0147 (180deg=-0.218) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.07) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.403 K(o=0.4,f=-3.4!) USER MOD Single : A 31 ASN : amide:sc= -0.0476 K(o=-0.048,f=-1) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.473 K(o=0.47,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= 1.16 (180deg=-1.06) USER MOD Single : A 56 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.046) USER MOD Single : A 61 TYR OH : rot 141:sc= 0.698 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0342) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00118 USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.11) USER MOD Single : A 72 THR OG1 : rot 78:sc= 0.36 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.42 X(o=-2.4,f=-2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.141 USER MOD Single : A 94 ASN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= 1.07 (180deg=0.362) USER MOD Single : A 101 THR OG1 : rot 155:sc= 1.87 USER MOD Single : A 106 GLN : amide:sc= -0.357 K(o=-0.36,f=-4.1!) USER MOD Single : A 107 SER OG : rot -150:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.67 K(o=1.7,f=-8.8!) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 119 HIS : no HE2:sc= 0.254 K(o=0.25,f=-1.5) USER MOD Single : A 130 SER OG : rot -40:sc= 0.0242 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.69) USER MOD Single : A 137 CYS SG : rot 77:sc= 0.225 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.0673 K(o=-0.067,f=-1.2) USER MOD Single : A 144 THR OG1 : rot 87:sc= 0.714 USER MOD Single : A 145 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0177) USER MOD Single : A 146 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.93) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.993 -0.689 7.952 1.00 0.59 N ATOM 31 CA ALA A 3 -18.714 -0.469 7.301 1.00 0.49 C ATOM 32 C ALA A 3 -18.483 -1.529 6.236 1.00 0.40 C ATOM 33 O ALA A 3 -18.086 -1.210 5.126 1.00 0.42 O ATOM 34 CB ALA A 3 -17.574 -0.487 8.324 1.00 0.74 C ATOM 0 HA ALA A 3 -18.731 0.512 6.827 1.00 0.49 H new ATOM 0 HB1 ALA A 3 -16.625 -0.320 7.814 1.00 0.74 H new ATOM 0 HB2 ALA A 3 -17.734 0.301 9.061 1.00 0.74 H new ATOM 0 HB3 ALA A 3 -17.551 -1.454 8.826 1.00 0.74 H new ATOM 40 N SER A 4 -18.755 -2.789 6.560 1.00 0.48 N ATOM 41 CA SER A 4 -18.526 -3.898 5.657 1.00 0.44 C ATOM 42 C SER A 4 -19.268 -3.702 4.341 1.00 0.32 C ATOM 43 O SER A 4 -18.721 -3.945 3.275 1.00 0.36 O ATOM 44 CB SER A 4 -18.903 -5.205 6.368 1.00 0.49 C ATOM 45 OG SER A 4 -20.192 -5.725 6.095 1.00 1.30 O ATOM 0 H SER A 4 -19.142 -3.065 7.462 1.00 0.48 H new ATOM 0 HA SER A 4 -17.470 -3.949 5.393 1.00 0.44 H new ATOM 0 HB2 SER A 4 -18.166 -5.963 6.102 1.00 0.49 H new ATOM 0 HB3 SER A 4 -18.821 -5.044 7.443 1.00 0.49 H new ATOM 0 HG SER A 4 -20.323 -6.556 6.598 1.00 1.30 H new ATOM 51 N ARG A 5 -20.522 -3.259 4.390 1.00 0.33 N ATOM 52 CA ARG A 5 -21.296 -3.058 3.171 1.00 0.35 C ATOM 53 C ARG A 5 -20.611 -2.031 2.289 1.00 0.35 C ATOM 54 O ARG A 5 -20.498 -2.202 1.079 1.00 0.49 O ATOM 55 CB ARG A 5 -22.715 -2.598 3.500 1.00 0.50 C ATOM 56 CG ARG A 5 -23.324 -3.494 4.579 1.00 0.95 C ATOM 57 CD ARG A 5 -24.854 -3.537 4.514 1.00 1.44 C ATOM 58 NE ARG A 5 -25.345 -4.925 4.571 1.00 2.20 N ATOM 59 CZ ARG A 5 -26.623 -5.314 4.478 1.00 2.57 C ATOM 60 NH1 ARG A 5 -26.926 -6.613 4.481 1.00 3.31 N ATOM 61 NH2 ARG A 5 -27.592 -4.404 4.379 1.00 2.86 N ATOM 0 H ARG A 5 -21.019 -3.035 5.252 1.00 0.33 H new ATOM 0 HA ARG A 5 -21.356 -4.008 2.640 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -22.699 -1.563 3.842 1.00 0.50 H new ATOM 0 HB3 ARG A 5 -23.332 -2.627 2.602 1.00 0.50 H new ATOM 0 HG2 ARG A 5 -22.931 -4.505 4.471 1.00 0.95 H new ATOM 0 HG3 ARG A 5 -23.016 -3.135 5.561 1.00 0.95 H new ATOM 0 HD2 ARG A 5 -25.273 -2.965 5.342 1.00 1.44 H new ATOM 0 HD3 ARG A 5 -25.196 -3.064 3.594 1.00 1.44 H new ATOM 0 HE ARG A 5 -24.646 -5.658 4.693 1.00 2.20 H new ATOM 0 HH11 ARG A 5 -26.184 -7.309 4.554 1.00 3.31 H new ATOM 0 HH12 ARG A 5 -27.899 -6.910 4.410 1.00 3.31 H new ATOM 0 HH21 ARG A 5 -27.360 -3.411 4.374 1.00 2.86 H new ATOM 0 HH22 ARG A 5 -28.565 -4.701 4.308 1.00 2.86 H new ATOM 75 N ARG A 6 -20.157 -0.945 2.907 1.00 0.32 N ATOM 76 CA ARG A 6 -19.460 0.109 2.196 1.00 0.41 C ATOM 77 C ARG A 6 -18.220 -0.477 1.531 1.00 0.40 C ATOM 78 O ARG A 6 -18.035 -0.343 0.330 1.00 0.47 O ATOM 79 CB ARG A 6 -19.163 1.262 3.160 1.00 0.54 C ATOM 80 CG ARG A 6 -20.477 1.886 3.662 1.00 0.51 C ATOM 81 CD ARG A 6 -20.294 2.533 5.038 1.00 1.81 C ATOM 82 NE ARG A 6 -21.092 3.759 5.190 1.00 2.36 N ATOM 83 CZ ARG A 6 -20.733 4.980 4.763 1.00 2.28 C ATOM 84 NH1 ARG A 6 -21.520 6.027 5.017 1.00 3.18 N ATOM 85 NH2 ARG A 6 -19.599 5.156 4.084 1.00 2.75 N ATOM 0 H ARG A 6 -20.263 -0.776 3.907 1.00 0.32 H new ATOM 0 HA ARG A 6 -20.074 0.528 1.399 1.00 0.41 H new ATOM 0 HB2 ARG A 6 -18.579 0.898 4.005 1.00 0.54 H new ATOM 0 HB3 ARG A 6 -18.561 2.019 2.658 1.00 0.54 H new ATOM 0 HG2 ARG A 6 -20.823 2.634 2.949 1.00 0.51 H new ATOM 0 HG3 ARG A 6 -21.249 1.118 3.718 1.00 0.51 H new ATOM 0 HD2 ARG A 6 -20.577 1.820 5.813 1.00 1.81 H new ATOM 0 HD3 ARG A 6 -19.240 2.767 5.189 1.00 1.81 H new ATOM 0 HE ARG A 6 -21.994 3.674 5.659 1.00 2.36 H new ATOM 0 HH11 ARG A 6 -22.390 5.898 5.534 1.00 3.18 H new ATOM 0 HH12 ARG A 6 -21.252 6.957 4.695 1.00 3.18 H new ATOM 0 HH21 ARG A 6 -18.995 4.359 3.884 1.00 2.75 H new ATOM 0 HH22 ARG A 6 -19.336 6.088 3.764 1.00 2.75 H new ATOM 99 N LEU A 7 -17.416 -1.191 2.306 1.00 0.38 N ATOM 100 CA LEU A 7 -16.157 -1.787 1.905 1.00 0.40 C ATOM 101 C LEU A 7 -16.373 -2.797 0.786 1.00 0.38 C ATOM 102 O LEU A 7 -15.501 -2.963 -0.057 1.00 0.43 O ATOM 103 CB LEU A 7 -15.495 -2.437 3.130 1.00 0.42 C ATOM 104 CG LEU A 7 -15.040 -1.396 4.165 1.00 0.45 C ATOM 105 CD1 LEU A 7 -14.675 -2.087 5.482 1.00 0.48 C ATOM 106 CD2 LEU A 7 -13.830 -0.607 3.682 1.00 0.48 C ATOM 0 H LEU A 7 -17.640 -1.378 3.283 1.00 0.38 H new ATOM 0 HA LEU A 7 -15.493 -1.014 1.517 1.00 0.40 H new ATOM 0 HB2 LEU A 7 -16.197 -3.128 3.597 1.00 0.42 H new ATOM 0 HB3 LEU A 7 -14.636 -3.025 2.807 1.00 0.42 H new ATOM 0 HG LEU A 7 -15.872 -0.707 4.312 1.00 0.45 H new ATOM 0 HD11 LEU A 7 -14.354 -1.340 6.208 1.00 0.48 H new ATOM 0 HD12 LEU A 7 -15.545 -2.618 5.868 1.00 0.48 H new ATOM 0 HD13 LEU A 7 -13.865 -2.796 5.309 1.00 0.48 H new ATOM 0 HD21 LEU A 7 -13.541 0.118 4.443 1.00 0.48 H new ATOM 0 HD22 LEU A 7 -13.001 -1.290 3.497 1.00 0.48 H new ATOM 0 HD23 LEU A 7 -14.081 -0.084 2.760 1.00 0.48 H new ATOM 118 N MET A 8 -17.530 -3.456 0.752 1.00 0.34 N ATOM 119 CA MET A 8 -17.874 -4.376 -0.312 1.00 0.37 C ATOM 120 C MET A 8 -17.961 -3.634 -1.624 1.00 0.42 C ATOM 121 O MET A 8 -17.306 -4.020 -2.591 1.00 0.46 O ATOM 122 CB MET A 8 -19.191 -5.087 0.002 1.00 0.44 C ATOM 123 CG MET A 8 -19.530 -6.118 -1.077 1.00 0.61 C ATOM 124 SD MET A 8 -20.892 -7.224 -0.632 1.00 1.49 S ATOM 125 CE MET A 8 -21.032 -8.132 -2.193 1.00 1.90 C ATOM 0 H MET A 8 -18.252 -3.361 1.467 1.00 0.34 H new ATOM 0 HA MET A 8 -17.094 -5.133 -0.393 1.00 0.37 H new ATOM 0 HB2 MET A 8 -19.120 -5.580 0.971 1.00 0.44 H new ATOM 0 HB3 MET A 8 -19.995 -4.355 0.075 1.00 0.44 H new ATOM 0 HG2 MET A 8 -19.786 -5.595 -1.998 1.00 0.61 H new ATOM 0 HG3 MET A 8 -18.643 -6.716 -1.286 1.00 0.61 H new ATOM 0 HE1 MET A 8 -21.830 -8.870 -2.114 1.00 1.90 H new ATOM 0 HE2 MET A 8 -21.260 -7.436 -3.000 1.00 1.90 H new ATOM 0 HE3 MET A 8 -20.090 -8.638 -2.406 1.00 1.90 H new ATOM 135 N LYS A 9 -18.782 -2.582 -1.679 1.00 0.47 N ATOM 136 CA LYS A 9 -18.929 -1.911 -2.954 1.00 0.55 C ATOM 137 C LYS A 9 -17.604 -1.277 -3.347 1.00 0.62 C ATOM 138 O LYS A 9 -17.269 -1.294 -4.516 1.00 0.71 O ATOM 139 CB LYS A 9 -20.120 -0.946 -2.998 1.00 0.58 C ATOM 140 CG LYS A 9 -19.881 0.448 -2.405 1.00 2.23 C ATOM 141 CD LYS A 9 -20.568 0.601 -1.060 1.00 3.10 C ATOM 142 CE LYS A 9 -22.031 1.025 -1.211 1.00 3.63 C ATOM 143 NZ LYS A 9 -22.143 2.432 -1.660 1.00 4.62 N ATOM 0 H LYS A 9 -19.322 -2.201 -0.902 1.00 0.47 H new ATOM 0 HA LYS A 9 -19.179 -2.655 -3.711 1.00 0.55 H new ATOM 0 HB2 LYS A 9 -20.428 -0.829 -4.037 1.00 0.58 H new ATOM 0 HB3 LYS A 9 -20.954 -1.406 -2.468 1.00 0.58 H new ATOM 0 HG2 LYS A 9 -18.810 0.618 -2.290 1.00 2.23 H new ATOM 0 HG3 LYS A 9 -20.252 1.207 -3.094 1.00 2.23 H new ATOM 0 HD2 LYS A 9 -20.518 -0.343 -0.517 1.00 3.10 H new ATOM 0 HD3 LYS A 9 -20.035 1.341 -0.462 1.00 3.10 H new ATOM 0 HE2 LYS A 9 -22.528 0.372 -1.928 1.00 3.63 H new ATOM 0 HE3 LYS A 9 -22.547 0.903 -0.258 1.00 3.63 H new ATOM 0 HZ1 LYS A 9 -23.107 2.778 -1.480 1.00 4.62 H new ATOM 0 HZ2 LYS A 9 -21.461 3.018 -1.138 1.00 4.62 H new ATOM 0 HZ3 LYS A 9 -21.939 2.489 -2.678 1.00 4.62 H new ATOM 157 N GLU A 10 -16.847 -0.747 -2.386 1.00 0.63 N ATOM 158 CA GLU A 10 -15.581 -0.084 -2.651 1.00 0.72 C ATOM 159 C GLU A 10 -14.582 -1.077 -3.235 1.00 0.69 C ATOM 160 O GLU A 10 -13.862 -0.739 -4.161 1.00 0.79 O ATOM 161 CB GLU A 10 -15.037 0.531 -1.356 1.00 0.76 C ATOM 162 CG GLU A 10 -15.876 1.723 -0.865 1.00 0.90 C ATOM 163 CD GLU A 10 -15.815 2.952 -1.769 1.00 0.99 C ATOM 164 OE1 GLU A 10 -14.733 3.232 -2.320 1.00 1.76 O ATOM 165 OE2 GLU A 10 -16.847 3.660 -1.858 1.00 1.62 O ATOM 0 H GLU A 10 -17.101 -0.768 -1.398 1.00 0.63 H new ATOM 0 HA GLU A 10 -15.738 0.713 -3.378 1.00 0.72 H new ATOM 0 HB2 GLU A 10 -15.010 -0.233 -0.579 1.00 0.76 H new ATOM 0 HB3 GLU A 10 -14.010 0.857 -1.518 1.00 0.76 H new ATOM 0 HG2 GLU A 10 -16.915 1.407 -0.772 1.00 0.90 H new ATOM 0 HG3 GLU A 10 -15.538 2.004 0.132 1.00 0.90 H new ATOM 172 N LEU A 11 -14.503 -2.301 -2.714 1.00 0.58 N ATOM 173 CA LEU A 11 -13.560 -3.286 -3.219 1.00 0.54 C ATOM 174 C LEU A 11 -13.951 -3.711 -4.624 1.00 0.52 C ATOM 175 O LEU A 11 -13.093 -3.827 -5.498 1.00 0.50 O ATOM 176 CB LEU A 11 -13.493 -4.496 -2.286 1.00 0.55 C ATOM 177 CG LEU A 11 -12.407 -5.476 -2.763 1.00 0.44 C ATOM 178 CD1 LEU A 11 -11.603 -5.997 -1.572 1.00 0.61 C ATOM 179 CD2 LEU A 11 -13.026 -6.633 -3.552 1.00 0.41 C ATOM 0 H LEU A 11 -15.083 -2.630 -1.942 1.00 0.58 H new ATOM 0 HA LEU A 11 -12.569 -2.834 -3.256 1.00 0.54 H new ATOM 0 HB2 LEU A 11 -13.276 -4.169 -1.269 1.00 0.55 H new ATOM 0 HB3 LEU A 11 -14.460 -4.998 -2.260 1.00 0.55 H new ATOM 0 HG LEU A 11 -11.729 -4.943 -3.429 1.00 0.44 H new ATOM 0 HD11 LEU A 11 -10.838 -6.689 -1.924 1.00 0.61 H new ATOM 0 HD12 LEU A 11 -11.127 -5.160 -1.060 1.00 0.61 H new ATOM 0 HD13 LEU A 11 -12.269 -6.513 -0.881 1.00 0.61 H new ATOM 0 HD21 LEU A 11 -12.239 -7.313 -3.879 1.00 0.41 H new ATOM 0 HD22 LEU A 11 -13.730 -7.171 -2.917 1.00 0.41 H new ATOM 0 HD23 LEU A 11 -13.551 -6.240 -4.423 1.00 0.41 H new ATOM 191 N GLU A 12 -15.236 -3.988 -4.841 1.00 0.52 N ATOM 192 CA GLU A 12 -15.692 -4.397 -6.160 1.00 0.53 C ATOM 193 C GLU A 12 -15.409 -3.282 -7.174 1.00 0.53 C ATOM 194 O GLU A 12 -14.847 -3.539 -8.236 1.00 0.50 O ATOM 195 CB GLU A 12 -17.172 -4.803 -6.093 1.00 0.57 C ATOM 196 CG GLU A 12 -17.674 -5.274 -7.466 1.00 0.60 C ATOM 197 CD GLU A 12 -18.236 -6.695 -7.461 1.00 1.27 C ATOM 198 OE1 GLU A 12 -19.171 -6.959 -6.678 1.00 1.56 O ATOM 199 OE2 GLU A 12 -17.717 -7.496 -8.279 1.00 2.29 O ATOM 0 H GLU A 12 -15.966 -3.937 -4.131 1.00 0.52 H new ATOM 0 HA GLU A 12 -15.143 -5.275 -6.501 1.00 0.53 H new ATOM 0 HB2 GLU A 12 -17.302 -5.600 -5.361 1.00 0.57 H new ATOM 0 HB3 GLU A 12 -17.770 -3.958 -5.753 1.00 0.57 H new ATOM 0 HG2 GLU A 12 -18.446 -4.589 -7.815 1.00 0.60 H new ATOM 0 HG3 GLU A 12 -16.853 -5.220 -8.181 1.00 0.60 H new ATOM 206 N GLU A 13 -15.753 -2.043 -6.823 1.00 0.55 N ATOM 207 CA GLU A 13 -15.519 -0.830 -7.594 1.00 0.55 C ATOM 208 C GLU A 13 -14.040 -0.696 -7.918 1.00 0.50 C ATOM 209 O GLU A 13 -13.696 -0.451 -9.066 1.00 0.46 O ATOM 210 CB GLU A 13 -16.012 0.403 -6.819 1.00 0.65 C ATOM 211 CG GLU A 13 -17.526 0.618 -6.972 1.00 1.01 C ATOM 212 CD GLU A 13 -17.845 1.939 -7.673 1.00 1.80 C ATOM 213 OE1 GLU A 13 -17.543 2.027 -8.884 1.00 2.53 O ATOM 214 OE2 GLU A 13 -18.396 2.835 -6.993 1.00 3.40 O ATOM 0 H GLU A 13 -16.230 -1.852 -5.942 1.00 0.55 H new ATOM 0 HA GLU A 13 -16.078 -0.895 -8.527 1.00 0.55 H new ATOM 0 HB2 GLU A 13 -15.768 0.288 -5.763 1.00 0.65 H new ATOM 0 HB3 GLU A 13 -15.483 1.288 -7.173 1.00 0.65 H new ATOM 0 HG2 GLU A 13 -17.955 -0.208 -7.540 1.00 1.01 H new ATOM 0 HG3 GLU A 13 -17.996 0.606 -5.989 1.00 1.01 H new ATOM 221 N ILE A 14 -13.161 -0.879 -6.932 1.00 0.51 N ATOM 222 CA ILE A 14 -11.718 -0.826 -7.116 1.00 0.44 C ATOM 223 C ILE A 14 -11.343 -1.800 -8.222 1.00 0.38 C ATOM 224 O ILE A 14 -10.740 -1.415 -9.224 1.00 0.36 O ATOM 225 CB ILE A 14 -10.987 -1.106 -5.782 1.00 0.42 C ATOM 226 CG1 ILE A 14 -11.014 0.165 -4.916 1.00 0.53 C ATOM 227 CG2 ILE A 14 -9.511 -1.454 -6.029 1.00 0.37 C ATOM 228 CD1 ILE A 14 -10.700 -0.159 -3.455 1.00 0.44 C ATOM 0 H ILE A 14 -13.440 -1.071 -5.970 1.00 0.51 H new ATOM 0 HA ILE A 14 -11.402 0.172 -7.420 1.00 0.44 H new ATOM 0 HB ILE A 14 -11.489 -1.939 -5.291 1.00 0.42 H new ATOM 0 HG12 ILE A 14 -10.288 0.884 -5.297 1.00 0.53 H new ATOM 0 HG13 ILE A 14 -11.995 0.635 -4.985 1.00 0.53 H new ATOM 0 HG21 ILE A 14 -9.018 -1.647 -5.076 1.00 0.37 H new ATOM 0 HG22 ILE A 14 -9.447 -2.343 -6.657 1.00 0.37 H new ATOM 0 HG23 ILE A 14 -9.019 -0.620 -6.530 1.00 0.37 H new ATOM 0 HD11 ILE A 14 -10.726 0.757 -2.865 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -11.441 -0.859 -3.070 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -9.709 -0.607 -3.387 1.00 0.44 H new ATOM 240 N ARG A 15 -11.698 -3.073 -8.060 1.00 0.36 N ATOM 241 CA ARG A 15 -11.283 -4.102 -8.997 1.00 0.38 C ATOM 242 C ARG A 15 -11.757 -3.748 -10.414 1.00 0.37 C ATOM 243 O ARG A 15 -10.976 -3.844 -11.363 1.00 0.38 O ATOM 244 CB ARG A 15 -11.789 -5.464 -8.506 1.00 0.47 C ATOM 245 CG ARG A 15 -10.885 -6.584 -9.023 1.00 1.03 C ATOM 246 CD ARG A 15 -11.344 -7.929 -8.458 1.00 0.83 C ATOM 247 NE ARG A 15 -10.450 -9.009 -8.898 1.00 1.40 N ATOM 248 CZ ARG A 15 -10.727 -10.318 -8.883 1.00 1.65 C ATOM 249 NH1 ARG A 15 -9.840 -11.189 -9.367 1.00 2.74 N ATOM 250 NH2 ARG A 15 -11.889 -10.754 -8.396 1.00 1.52 N ATOM 0 H ARG A 15 -12.272 -3.411 -7.288 1.00 0.36 H new ATOM 0 HA ARG A 15 -10.196 -4.162 -9.047 1.00 0.38 H new ATOM 0 HB2 ARG A 15 -11.812 -5.480 -7.416 1.00 0.47 H new ATOM 0 HB3 ARG A 15 -12.811 -5.625 -8.849 1.00 0.47 H new ATOM 0 HG2 ARG A 15 -10.911 -6.610 -10.112 1.00 1.03 H new ATOM 0 HG3 ARG A 15 -9.852 -6.392 -8.733 1.00 1.03 H new ATOM 0 HD2 ARG A 15 -11.361 -7.885 -7.369 1.00 0.83 H new ATOM 0 HD3 ARG A 15 -12.363 -8.138 -8.784 1.00 0.83 H new ATOM 0 HE ARG A 15 -9.532 -8.735 -9.248 1.00 1.40 H new ATOM 0 HH11 ARG A 15 -8.954 -10.856 -9.747 1.00 2.74 H new ATOM 0 HH12 ARG A 15 -10.048 -12.188 -9.357 1.00 2.74 H new ATOM 0 HH21 ARG A 15 -12.572 -10.089 -8.033 1.00 1.52 H new ATOM 0 HH22 ARG A 15 -12.095 -11.753 -8.387 1.00 1.52 H new ATOM 264 N LYS A 16 -13.018 -3.317 -10.544 1.00 0.41 N ATOM 265 CA LYS A 16 -13.632 -2.866 -11.795 1.00 0.48 C ATOM 266 C LYS A 16 -12.962 -1.611 -12.343 1.00 0.53 C ATOM 267 O LYS A 16 -12.951 -1.420 -13.555 1.00 0.59 O ATOM 268 CB LYS A 16 -15.135 -2.591 -11.603 1.00 0.52 C ATOM 269 CG LYS A 16 -16.008 -3.782 -12.013 1.00 0.62 C ATOM 270 CD LYS A 16 -15.809 -4.988 -11.098 1.00 1.12 C ATOM 271 CE LYS A 16 -16.707 -6.139 -11.558 1.00 1.33 C ATOM 272 NZ LYS A 16 -16.485 -7.357 -10.752 1.00 2.48 N ATOM 0 H LYS A 16 -13.659 -3.272 -9.752 1.00 0.41 H new ATOM 0 HA LYS A 16 -13.496 -3.673 -12.515 1.00 0.48 H new ATOM 0 HB2 LYS A 16 -15.326 -2.348 -10.558 1.00 0.52 H new ATOM 0 HB3 LYS A 16 -15.419 -1.718 -12.190 1.00 0.52 H new ATOM 0 HG2 LYS A 16 -17.056 -3.484 -11.995 1.00 0.62 H new ATOM 0 HG3 LYS A 16 -15.774 -4.065 -13.039 1.00 0.62 H new ATOM 0 HD2 LYS A 16 -14.765 -5.300 -11.114 1.00 1.12 H new ATOM 0 HD3 LYS A 16 -16.046 -4.719 -10.069 1.00 1.12 H new ATOM 0 HE2 LYS A 16 -17.752 -5.838 -11.484 1.00 1.33 H new ATOM 0 HE3 LYS A 16 -16.512 -6.356 -12.608 1.00 1.33 H new ATOM 0 HZ1 LYS A 16 -17.033 -8.144 -11.154 1.00 2.48 H new ATOM 0 HZ2 LYS A 16 -15.474 -7.600 -10.761 1.00 2.48 H new ATOM 0 HZ3 LYS A 16 -16.791 -7.186 -9.773 1.00 2.48 H new ATOM 286 N CYS A 17 -12.405 -0.762 -11.481 1.00 0.52 N ATOM 287 CA CYS A 17 -11.761 0.480 -11.874 1.00 0.58 C ATOM 288 C CYS A 17 -10.578 0.134 -12.774 1.00 0.48 C ATOM 289 O CYS A 17 -10.262 0.861 -13.713 1.00 0.56 O ATOM 290 CB CYS A 17 -11.301 1.233 -10.616 1.00 0.64 C ATOM 291 SG CYS A 17 -11.071 2.994 -10.967 1.00 0.95 S ATOM 0 H CYS A 17 -12.391 -0.925 -10.474 1.00 0.52 H new ATOM 0 HA CYS A 17 -12.450 1.125 -12.419 1.00 0.58 H new ATOM 0 HB2 CYS A 17 -12.038 1.109 -9.823 1.00 0.64 H new ATOM 0 HB3 CYS A 17 -10.367 0.805 -10.252 1.00 0.64 H new ATOM 0 HG CYS A 17 -10.685 3.605 -9.887 1.00 0.95 H new ATOM 297 N GLY A 18 -9.952 -1.012 -12.503 1.00 0.33 N ATOM 298 CA GLY A 18 -9.003 -1.625 -13.402 1.00 0.26 C ATOM 299 C GLY A 18 -7.835 -2.108 -12.576 1.00 0.26 C ATOM 300 O GLY A 18 -6.846 -1.393 -12.450 1.00 0.36 O ATOM 0 H GLY A 18 -10.099 -1.538 -11.641 1.00 0.33 H new ATOM 0 HA2 GLY A 18 -9.464 -2.456 -13.936 1.00 0.26 H new ATOM 0 HA3 GLY A 18 -8.670 -0.909 -14.153 1.00 0.26 H new ATOM 304 N MET A 19 -7.959 -3.305 -11.994 1.00 0.25 N ATOM 305 CA MET A 19 -6.910 -3.893 -11.172 1.00 0.24 C ATOM 306 C MET A 19 -5.606 -4.086 -11.952 1.00 0.26 C ATOM 307 O MET A 19 -5.344 -5.140 -12.527 1.00 0.31 O ATOM 308 CB MET A 19 -7.408 -5.184 -10.518 1.00 0.32 C ATOM 309 CG MET A 19 -7.973 -6.245 -11.462 1.00 0.65 C ATOM 310 SD MET A 19 -7.842 -7.921 -10.770 1.00 1.39 S ATOM 311 CE MET A 19 -7.900 -8.864 -12.312 1.00 1.95 C ATOM 0 H MET A 19 -8.791 -3.889 -12.083 1.00 0.25 H new ATOM 0 HA MET A 19 -6.670 -3.193 -10.372 1.00 0.24 H new ATOM 0 HB2 MET A 19 -6.582 -5.626 -9.961 1.00 0.32 H new ATOM 0 HB3 MET A 19 -8.179 -4.925 -9.793 1.00 0.32 H new ATOM 0 HG2 MET A 19 -9.019 -6.022 -11.672 1.00 0.65 H new ATOM 0 HG3 MET A 19 -7.441 -6.204 -12.412 1.00 0.65 H new ATOM 0 HE1 MET A 19 -7.832 -9.929 -12.090 1.00 1.95 H new ATOM 0 HE2 MET A 19 -8.838 -8.660 -12.828 1.00 1.95 H new ATOM 0 HE3 MET A 19 -7.065 -8.572 -12.949 1.00 1.95 H new ATOM 321 N LYS A 20 -4.788 -3.038 -12.007 1.00 0.26 N ATOM 322 CA LYS A 20 -3.504 -3.021 -12.689 1.00 0.29 C ATOM 323 C LYS A 20 -2.413 -2.973 -11.634 1.00 0.32 C ATOM 324 O LYS A 20 -1.806 -3.984 -11.301 1.00 0.42 O ATOM 325 CB LYS A 20 -3.502 -1.853 -13.688 1.00 0.30 C ATOM 326 CG LYS A 20 -3.098 -2.289 -15.098 1.00 1.14 C ATOM 327 CD LYS A 20 -3.817 -1.372 -16.087 1.00 1.61 C ATOM 328 CE LYS A 20 -3.089 -1.378 -17.433 1.00 1.81 C ATOM 329 NZ LYS A 20 -3.764 -0.515 -18.426 1.00 2.60 N ATOM 0 H LYS A 20 -5.012 -2.148 -11.561 1.00 0.26 H new ATOM 0 HA LYS A 20 -3.316 -3.918 -13.280 1.00 0.29 H new ATOM 0 HB2 LYS A 20 -4.495 -1.405 -13.720 1.00 0.30 H new ATOM 0 HB3 LYS A 20 -2.815 -1.082 -13.339 1.00 0.30 H new ATOM 0 HG2 LYS A 20 -2.018 -2.219 -15.226 1.00 1.14 H new ATOM 0 HG3 LYS A 20 -3.373 -3.330 -15.271 1.00 1.14 H new ATOM 0 HD2 LYS A 20 -4.847 -1.704 -16.220 1.00 1.61 H new ATOM 0 HD3 LYS A 20 -3.858 -0.357 -15.691 1.00 1.61 H new ATOM 0 HE2 LYS A 20 -2.063 -1.037 -17.293 1.00 1.81 H new ATOM 0 HE3 LYS A 20 -3.037 -2.398 -17.814 1.00 1.81 H new ATOM 0 HZ1 LYS A 20 -3.241 -0.545 -19.325 1.00 2.60 H new ATOM 0 HZ2 LYS A 20 -4.735 -0.855 -18.579 1.00 2.60 H new ATOM 0 HZ3 LYS A 20 -3.791 0.463 -18.074 1.00 2.60 H new ATOM 343 N ASN A 21 -2.247 -1.798 -11.033 1.00 0.32 N ATOM 344 CA ASN A 21 -1.269 -1.542 -9.991 1.00 0.33 C ATOM 345 C ASN A 21 -1.692 -2.144 -8.658 1.00 0.27 C ATOM 346 O ASN A 21 -0.986 -2.000 -7.667 1.00 0.20 O ATOM 347 CB ASN A 21 -1.102 -0.032 -9.821 1.00 0.37 C ATOM 348 CG ASN A 21 -0.460 0.584 -11.058 1.00 0.59 C ATOM 349 OD1 ASN A 21 -1.007 0.453 -12.147 1.00 2.01 O ATOM 350 ND2 ASN A 21 0.667 1.261 -10.913 1.00 1.13 N ATOM 0 H ASN A 21 -2.807 -0.978 -11.267 1.00 0.32 H new ATOM 0 HA ASN A 21 -0.329 -2.006 -10.291 1.00 0.33 H new ATOM 0 HB2 ASN A 21 -2.074 0.428 -9.643 1.00 0.37 H new ATOM 0 HB3 ASN A 21 -0.486 0.174 -8.945 1.00 0.37 H new ATOM 0 HD21 ASN A 21 1.109 1.695 -11.723 1.00 1.13 H new ATOM 0 HD22 ASN A 21 1.094 1.349 -9.991 1.00 1.13 H new ATOM 357 N PHE A 22 -2.850 -2.793 -8.605 1.00 0.34 N ATOM 358 CA PHE A 22 -3.427 -3.355 -7.409 1.00 0.25 C ATOM 359 C PHE A 22 -4.154 -4.603 -7.880 1.00 0.25 C ATOM 360 O PHE A 22 -5.195 -4.505 -8.517 1.00 0.44 O ATOM 361 CB PHE A 22 -4.346 -2.314 -6.754 1.00 0.23 C ATOM 362 CG PHE A 22 -5.325 -1.622 -7.685 1.00 0.26 C ATOM 363 CD1 PHE A 22 -6.639 -2.101 -7.810 1.00 0.19 C ATOM 364 CD2 PHE A 22 -4.910 -0.520 -8.458 1.00 0.44 C ATOM 365 CE1 PHE A 22 -7.519 -1.501 -8.724 1.00 0.23 C ATOM 366 CE2 PHE A 22 -5.793 0.080 -9.371 1.00 0.50 C ATOM 367 CZ PHE A 22 -7.101 -0.412 -9.504 1.00 0.37 C ATOM 0 H PHE A 22 -3.428 -2.943 -9.432 1.00 0.34 H new ATOM 0 HA PHE A 22 -2.699 -3.620 -6.642 1.00 0.25 H new ATOM 0 HB2 PHE A 22 -4.911 -2.803 -5.961 1.00 0.23 H new ATOM 0 HB3 PHE A 22 -3.724 -1.554 -6.280 1.00 0.23 H new ATOM 0 HD1 PHE A 22 -6.972 -2.930 -7.203 1.00 0.19 H new ATOM 0 HD2 PHE A 22 -3.907 -0.134 -8.348 1.00 0.44 H new ATOM 0 HE1 PHE A 22 -8.525 -1.880 -8.828 1.00 0.23 H new ATOM 0 HE2 PHE A 22 -5.466 0.918 -9.969 1.00 0.50 H new ATOM 0 HZ PHE A 22 -7.783 0.046 -10.204 1.00 0.37 H new ATOM 377 N ARG A 23 -3.574 -5.778 -7.656 1.00 0.26 N ATOM 378 CA ARG A 23 -4.140 -7.041 -8.103 1.00 0.27 C ATOM 379 C ARG A 23 -4.136 -8.000 -6.934 1.00 0.30 C ATOM 380 O ARG A 23 -3.710 -7.656 -5.839 1.00 0.34 O ATOM 381 CB ARG A 23 -3.350 -7.619 -9.287 1.00 0.39 C ATOM 382 CG ARG A 23 -3.711 -6.941 -10.608 1.00 0.86 C ATOM 383 CD ARG A 23 -3.538 -7.971 -11.720 1.00 1.25 C ATOM 384 NE ARG A 23 -3.756 -7.419 -13.056 1.00 2.36 N ATOM 385 CZ ARG A 23 -3.667 -8.166 -14.160 1.00 2.88 C ATOM 386 NH1 ARG A 23 -3.640 -7.608 -15.367 1.00 4.21 N ATOM 387 NH2 ARG A 23 -3.592 -9.487 -14.038 1.00 2.47 N ATOM 0 H ARG A 23 -2.691 -5.879 -7.155 1.00 0.26 H new ATOM 0 HA ARG A 23 -5.160 -6.881 -8.452 1.00 0.27 H new ATOM 0 HB2 ARG A 23 -2.282 -7.502 -9.101 1.00 0.39 H new ATOM 0 HB3 ARG A 23 -3.545 -8.689 -9.364 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -4.737 -6.575 -10.582 1.00 0.86 H new ATOM 0 HG3 ARG A 23 -3.069 -6.078 -10.783 1.00 0.86 H new ATOM 0 HD2 ARG A 23 -2.533 -8.389 -11.666 1.00 1.25 H new ATOM 0 HD3 ARG A 23 -4.234 -8.794 -11.556 1.00 1.25 H new ATOM 0 HE ARG A 23 -3.984 -6.429 -13.148 1.00 2.36 H new ATOM 0 HH11 ARG A 23 -3.688 -6.593 -15.461 1.00 4.21 H new ATOM 0 HH12 ARG A 23 -3.572 -8.195 -16.199 1.00 4.21 H new ATOM 0 HH21 ARG A 23 -3.603 -9.915 -13.112 1.00 2.47 H new ATOM 0 HH22 ARG A 23 -3.524 -10.073 -14.870 1.00 2.47 H new ATOM 401 N ASN A 24 -4.649 -9.210 -7.154 1.00 0.31 N ATOM 402 CA ASN A 24 -4.809 -10.183 -6.088 1.00 0.31 C ATOM 403 C ASN A 24 -5.620 -9.591 -4.932 1.00 0.29 C ATOM 404 O ASN A 24 -5.464 -10.016 -3.795 1.00 0.41 O ATOM 405 CB ASN A 24 -3.427 -10.701 -5.664 1.00 0.41 C ATOM 406 CG ASN A 24 -3.492 -12.134 -5.167 1.00 0.59 C ATOM 407 OD1 ASN A 24 -3.159 -13.059 -5.894 1.00 1.61 O ATOM 408 ND2 ASN A 24 -3.948 -12.353 -3.946 1.00 1.16 N ATOM 0 H ASN A 24 -4.961 -9.536 -8.069 1.00 0.31 H new ATOM 0 HA ASN A 24 -5.382 -11.040 -6.442 1.00 0.31 H new ATOM 0 HB2 ASN A 24 -2.741 -10.640 -6.509 1.00 0.41 H new ATOM 0 HB3 ASN A 24 -3.024 -10.061 -4.879 1.00 0.41 H new ATOM 0 HD21 ASN A 24 -4.027 -13.307 -3.595 1.00 1.16 H new ATOM 0 HD22 ASN A 24 -4.221 -11.568 -3.355 1.00 1.16 H new ATOM 415 N ILE A 25 -6.498 -8.625 -5.226 1.00 0.22 N ATOM 416 CA ILE A 25 -7.465 -8.104 -4.276 1.00 0.22 C ATOM 417 C ILE A 25 -8.316 -9.296 -3.854 1.00 0.23 C ATOM 418 O ILE A 25 -8.917 -9.955 -4.705 1.00 0.26 O ATOM 419 CB ILE A 25 -8.272 -6.954 -4.934 1.00 0.23 C ATOM 420 CG1 ILE A 25 -7.712 -5.594 -4.472 1.00 0.29 C ATOM 421 CG2 ILE A 25 -9.775 -6.995 -4.638 1.00 0.28 C ATOM 422 CD1 ILE A 25 -8.423 -4.397 -5.092 1.00 0.33 C ATOM 0 H ILE A 25 -6.551 -8.183 -6.144 1.00 0.22 H new ATOM 0 HA ILE A 25 -7.009 -7.662 -3.390 1.00 0.22 H new ATOM 0 HB ILE A 25 -8.158 -7.088 -6.010 1.00 0.23 H new ATOM 0 HG12 ILE A 25 -7.789 -5.529 -3.387 1.00 0.29 H new ATOM 0 HG13 ILE A 25 -6.652 -5.544 -4.720 1.00 0.29 H new ATOM 0 HG21 ILE A 25 -10.266 -6.158 -5.134 1.00 0.28 H new ATOM 0 HG22 ILE A 25 -10.193 -7.932 -5.007 1.00 0.28 H new ATOM 0 HG23 ILE A 25 -9.936 -6.925 -3.562 1.00 0.28 H new ATOM 0 HD11 ILE A 25 -7.975 -3.475 -4.721 1.00 0.33 H new ATOM 0 HD12 ILE A 25 -8.324 -4.437 -6.177 1.00 0.33 H new ATOM 0 HD13 ILE A 25 -9.479 -4.421 -4.823 1.00 0.33 H new ATOM 434 N GLN A 26 -8.349 -9.591 -2.556 1.00 0.26 N ATOM 435 CA GLN A 26 -9.228 -10.590 -1.985 1.00 0.29 C ATOM 436 C GLN A 26 -9.723 -10.032 -0.662 1.00 0.28 C ATOM 437 O GLN A 26 -9.014 -9.285 0.016 1.00 0.46 O ATOM 438 CB GLN A 26 -8.547 -11.952 -1.775 1.00 0.42 C ATOM 439 CG GLN A 26 -7.344 -12.196 -2.691 1.00 0.34 C ATOM 440 CD GLN A 26 -6.994 -13.676 -2.780 1.00 0.51 C ATOM 441 OE1 GLN A 26 -7.267 -14.457 -1.880 1.00 1.23 O ATOM 442 NE2 GLN A 26 -6.390 -14.096 -3.884 1.00 1.59 N ATOM 0 H GLN A 26 -7.754 -9.131 -1.867 1.00 0.26 H new ATOM 0 HA GLN A 26 -10.047 -10.784 -2.678 1.00 0.29 H new ATOM 0 HB2 GLN A 26 -8.222 -12.028 -0.737 1.00 0.42 H new ATOM 0 HB3 GLN A 26 -9.280 -12.742 -1.937 1.00 0.42 H new ATOM 0 HG2 GLN A 26 -7.562 -11.813 -3.688 1.00 0.34 H new ATOM 0 HG3 GLN A 26 -6.484 -11.641 -2.318 1.00 0.34 H new ATOM 0 HE21 GLN A 26 -6.168 -13.434 -4.627 1.00 1.59 H new ATOM 0 HE22 GLN A 26 -6.148 -15.081 -3.990 1.00 1.59 H new ATOM 451 N VAL A 27 -10.948 -10.385 -0.306 1.00 0.34 N ATOM 452 CA VAL A 27 -11.561 -9.974 0.934 1.00 0.31 C ATOM 453 C VAL A 27 -12.403 -11.161 1.389 1.00 0.61 C ATOM 454 O VAL A 27 -13.013 -11.824 0.550 1.00 0.94 O ATOM 455 CB VAL A 27 -12.320 -8.663 0.673 1.00 0.59 C ATOM 456 CG1 VAL A 27 -13.349 -8.757 -0.464 1.00 1.23 C ATOM 457 CG2 VAL A 27 -13.014 -8.183 1.933 1.00 0.40 C ATOM 0 H VAL A 27 -11.548 -10.974 -0.883 1.00 0.34 H new ATOM 0 HA VAL A 27 -10.871 -9.740 1.745 1.00 0.31 H new ATOM 0 HB VAL A 27 -11.560 -7.947 0.361 1.00 0.59 H new ATOM 0 HG11 VAL A 27 -13.843 -7.793 -0.588 1.00 1.23 H new ATOM 0 HG12 VAL A 27 -12.843 -9.027 -1.391 1.00 1.23 H new ATOM 0 HG13 VAL A 27 -14.092 -9.517 -0.221 1.00 1.23 H new ATOM 0 HG21 VAL A 27 -13.545 -7.254 1.725 1.00 0.40 H new ATOM 0 HG22 VAL A 27 -13.724 -8.939 2.268 1.00 0.40 H new ATOM 0 HG23 VAL A 27 -12.273 -8.010 2.713 1.00 0.40 H new ATOM 467 N ASP A 28 -12.368 -11.494 2.679 1.00 0.65 N ATOM 468 CA ASP A 28 -13.154 -12.612 3.192 1.00 1.00 C ATOM 469 C ASP A 28 -14.627 -12.211 3.259 1.00 1.05 C ATOM 470 O ASP A 28 -14.938 -11.030 3.150 1.00 0.90 O ATOM 471 CB ASP A 28 -12.638 -13.012 4.574 1.00 1.15 C ATOM 472 CG ASP A 28 -13.411 -14.225 5.076 1.00 1.65 C ATOM 473 OD1 ASP A 28 -13.969 -14.138 6.190 1.00 1.61 O ATOM 474 OD2 ASP A 28 -13.534 -15.180 4.284 1.00 2.76 O ATOM 0 H ASP A 28 -11.809 -11.010 3.381 1.00 0.65 H new ATOM 0 HA ASP A 28 -13.056 -13.469 2.525 1.00 1.00 H new ATOM 0 HB2 ASP A 28 -11.574 -13.242 4.524 1.00 1.15 H new ATOM 0 HB3 ASP A 28 -12.752 -12.181 5.271 1.00 1.15 H new ATOM 479 N GLU A 29 -15.552 -13.155 3.446 1.00 1.37 N ATOM 480 CA GLU A 29 -16.955 -12.794 3.601 1.00 1.56 C ATOM 481 C GLU A 29 -17.244 -12.267 5.009 1.00 1.46 C ATOM 482 O GLU A 29 -18.001 -11.311 5.170 1.00 1.45 O ATOM 483 CB GLU A 29 -17.873 -13.962 3.213 1.00 2.07 C ATOM 484 CG GLU A 29 -17.800 -15.165 4.162 1.00 2.06 C ATOM 485 CD GLU A 29 -18.693 -16.302 3.663 1.00 2.31 C ATOM 486 OE1 GLU A 29 -18.241 -17.035 2.756 1.00 2.39 O ATOM 487 OE2 GLU A 29 -19.824 -16.410 4.186 1.00 3.61 O ATOM 0 H GLU A 29 -15.357 -14.155 3.493 1.00 1.37 H new ATOM 0 HA GLU A 29 -17.172 -11.978 2.912 1.00 1.56 H new ATOM 0 HB2 GLU A 29 -18.902 -13.604 3.178 1.00 2.07 H new ATOM 0 HB3 GLU A 29 -17.616 -14.292 2.207 1.00 2.07 H new ATOM 0 HG2 GLU A 29 -16.770 -15.512 4.239 1.00 2.06 H new ATOM 0 HG3 GLU A 29 -18.110 -14.864 5.163 1.00 2.06 H new ATOM 494 N ALA A 30 -16.654 -12.883 6.036 1.00 1.43 N ATOM 495 CA ALA A 30 -16.935 -12.528 7.421 1.00 1.39 C ATOM 496 C ALA A 30 -15.924 -11.484 7.878 1.00 0.92 C ATOM 497 O ALA A 30 -16.280 -10.377 8.278 1.00 0.84 O ATOM 498 CB ALA A 30 -16.884 -13.787 8.291 1.00 1.69 C ATOM 0 H ALA A 30 -15.974 -13.636 5.928 1.00 1.43 H new ATOM 0 HA ALA A 30 -17.934 -12.101 7.513 1.00 1.39 H new ATOM 0 HB1 ALA A 30 -17.094 -13.522 9.327 1.00 1.69 H new ATOM 0 HB2 ALA A 30 -17.629 -14.502 7.941 1.00 1.69 H new ATOM 0 HB3 ALA A 30 -15.892 -14.235 8.225 1.00 1.69 H new ATOM 504 N ASN A 31 -14.641 -11.809 7.746 1.00 0.77 N ATOM 505 CA ASN A 31 -13.522 -10.910 7.995 1.00 0.52 C ATOM 506 C ASN A 31 -13.343 -9.926 6.834 1.00 0.31 C ATOM 507 O ASN A 31 -12.228 -9.481 6.584 1.00 0.27 O ATOM 508 CB ASN A 31 -12.235 -11.731 8.206 1.00 0.93 C ATOM 509 CG ASN A 31 -12.125 -12.289 9.614 1.00 2.18 C ATOM 510 OD1 ASN A 31 -12.523 -11.650 10.580 1.00 2.70 O ATOM 511 ND2 ASN A 31 -11.541 -13.470 9.760 1.00 3.37 N ATOM 0 H ASN A 31 -14.343 -12.739 7.452 1.00 0.77 H new ATOM 0 HA ASN A 31 -13.731 -10.332 8.895 1.00 0.52 H new ATOM 0 HB2 ASN A 31 -12.211 -12.553 7.490 1.00 0.93 H new ATOM 0 HB3 ASN A 31 -11.369 -11.102 7.999 1.00 0.93 H new ATOM 0 HD21 ASN A 31 -11.415 -13.865 10.692 1.00 3.37 H new ATOM 0 HD22 ASN A 31 -11.218 -13.984 8.940 1.00 3.37 H new ATOM 518 N LEU A 32 -14.416 -9.530 6.138 1.00 0.33 N ATOM 519 CA LEU A 32 -14.322 -8.621 4.999 1.00 0.39 C ATOM 520 C LEU A 32 -13.725 -7.270 5.401 1.00 0.42 C ATOM 521 O LEU A 32 -13.198 -6.526 4.579 1.00 0.57 O ATOM 522 CB LEU A 32 -15.693 -8.504 4.307 1.00 0.70 C ATOM 523 CG LEU A 32 -16.635 -7.407 4.798 1.00 0.72 C ATOM 524 CD1 LEU A 32 -16.173 -6.001 4.394 1.00 1.43 C ATOM 525 CD2 LEU A 32 -18.013 -7.691 4.184 1.00 0.97 C ATOM 0 H LEU A 32 -15.367 -9.831 6.350 1.00 0.33 H new ATOM 0 HA LEU A 32 -13.627 -9.035 4.268 1.00 0.39 H new ATOM 0 HB2 LEU A 32 -15.521 -8.349 3.242 1.00 0.70 H new ATOM 0 HB3 LEU A 32 -16.206 -9.460 4.411 1.00 0.70 H new ATOM 0 HG LEU A 32 -16.658 -7.421 5.888 1.00 0.72 H new ATOM 0 HD11 LEU A 32 -16.881 -5.263 4.770 1.00 1.43 H new ATOM 0 HD12 LEU A 32 -15.187 -5.806 4.817 1.00 1.43 H new ATOM 0 HD13 LEU A 32 -16.122 -5.933 3.307 1.00 1.43 H new ATOM 0 HD21 LEU A 32 -18.721 -6.928 4.510 1.00 0.97 H new ATOM 0 HD22 LEU A 32 -17.937 -7.675 3.097 1.00 0.97 H new ATOM 0 HD23 LEU A 32 -18.361 -8.671 4.509 1.00 0.97 H new ATOM 537 N LEU A 33 -13.819 -6.954 6.693 1.00 0.40 N ATOM 538 CA LEU A 33 -13.201 -5.804 7.324 1.00 0.59 C ATOM 539 C LEU A 33 -11.738 -5.671 6.899 1.00 0.55 C ATOM 540 O LEU A 33 -11.272 -4.575 6.592 1.00 0.77 O ATOM 541 CB LEU A 33 -13.306 -5.980 8.843 1.00 0.84 C ATOM 542 CG LEU A 33 -14.720 -5.855 9.452 1.00 1.13 C ATOM 543 CD1 LEU A 33 -14.679 -4.804 10.551 1.00 1.11 C ATOM 544 CD2 LEU A 33 -15.853 -5.422 8.511 1.00 1.55 C ATOM 0 H LEU A 33 -14.353 -7.522 7.351 1.00 0.40 H new ATOM 0 HA LEU A 33 -13.714 -4.893 7.016 1.00 0.59 H new ATOM 0 HB2 LEU A 33 -12.908 -6.961 9.102 1.00 0.84 H new ATOM 0 HB3 LEU A 33 -12.663 -5.240 9.318 1.00 0.84 H new ATOM 0 HG LEU A 33 -14.952 -6.869 9.776 1.00 1.13 H new ATOM 0 HD11 LEU A 33 -15.670 -4.701 10.994 1.00 1.11 H new ATOM 0 HD12 LEU A 33 -13.968 -5.108 11.319 1.00 1.11 H new ATOM 0 HD13 LEU A 33 -14.370 -3.848 10.129 1.00 1.11 H new ATOM 0 HD21 LEU A 33 -16.789 -5.375 9.067 1.00 1.55 H new ATOM 0 HD22 LEU A 33 -15.627 -4.439 8.097 1.00 1.55 H new ATOM 0 HD23 LEU A 33 -15.948 -6.144 7.700 1.00 1.55 H new ATOM 556 N THR A 34 -10.999 -6.778 6.874 1.00 0.47 N ATOM 557 CA THR A 34 -9.598 -6.744 6.513 1.00 0.45 C ATOM 558 C THR A 34 -9.423 -7.209 5.075 1.00 0.43 C ATOM 559 O THR A 34 -10.043 -8.165 4.615 1.00 0.54 O ATOM 560 CB THR A 34 -8.785 -7.575 7.505 1.00 0.47 C ATOM 561 OG1 THR A 34 -8.981 -7.041 8.799 1.00 0.58 O ATOM 562 CG2 THR A 34 -7.293 -7.474 7.188 1.00 0.46 C ATOM 0 H THR A 34 -11.355 -7.707 7.101 1.00 0.47 H new ATOM 0 HA THR A 34 -9.222 -5.722 6.568 1.00 0.45 H new ATOM 0 HB THR A 34 -9.106 -8.615 7.443 1.00 0.47 H new ATOM 0 HG1 THR A 34 -8.467 -7.564 9.450 1.00 0.58 H new ATOM 0 HG21 THR A 34 -6.728 -8.071 7.903 1.00 0.46 H new ATOM 0 HG22 THR A 34 -7.109 -7.845 6.180 1.00 0.46 H new ATOM 0 HG23 THR A 34 -6.977 -6.433 7.254 1.00 0.46 H new ATOM 570 N TRP A 35 -8.568 -6.485 4.363 1.00 0.29 N ATOM 571 CA TRP A 35 -8.365 -6.637 2.937 1.00 0.20 C ATOM 572 C TRP A 35 -6.958 -7.154 2.721 1.00 0.19 C ATOM 573 O TRP A 35 -6.059 -6.847 3.503 1.00 0.25 O ATOM 574 CB TRP A 35 -8.464 -5.275 2.254 1.00 0.19 C ATOM 575 CG TRP A 35 -9.769 -4.552 2.285 1.00 0.27 C ATOM 576 CD1 TRP A 35 -10.647 -4.496 3.309 1.00 0.36 C ATOM 577 CD2 TRP A 35 -10.337 -3.717 1.240 1.00 0.37 C ATOM 578 NE1 TRP A 35 -11.746 -3.758 2.944 1.00 0.42 N ATOM 579 CE2 TRP A 35 -11.616 -3.254 1.665 1.00 0.44 C ATOM 580 CE3 TRP A 35 -9.882 -3.309 -0.029 1.00 0.47 C ATOM 581 CZ2 TRP A 35 -12.423 -2.457 0.837 1.00 0.53 C ATOM 582 CZ3 TRP A 35 -10.680 -2.509 -0.859 1.00 0.59 C ATOM 583 CH2 TRP A 35 -11.949 -2.081 -0.431 1.00 0.61 C ATOM 0 H TRP A 35 -7.984 -5.758 4.777 1.00 0.29 H new ATOM 0 HA TRP A 35 -9.114 -7.315 2.529 1.00 0.20 H new ATOM 0 HB2 TRP A 35 -7.715 -4.624 2.704 1.00 0.19 H new ATOM 0 HB3 TRP A 35 -8.184 -5.408 1.209 1.00 0.19 H new ATOM 0 HD1 TRP A 35 -10.506 -4.963 4.273 1.00 0.36 H new ATOM 0 HE1 TRP A 35 -12.557 -3.602 3.543 1.00 0.42 H new ATOM 0 HE3 TRP A 35 -8.904 -3.617 -0.368 1.00 0.47 H new ATOM 0 HZ2 TRP A 35 -13.398 -2.136 1.172 1.00 0.53 H new ATOM 0 HZ3 TRP A 35 -10.317 -2.219 -1.834 1.00 0.59 H new ATOM 0 HH2 TRP A 35 -12.558 -1.465 -1.076 1.00 0.61 H new ATOM 594 N GLN A 36 -6.739 -7.860 1.619 1.00 0.19 N ATOM 595 CA GLN A 36 -5.415 -8.313 1.255 1.00 0.31 C ATOM 596 C GLN A 36 -5.249 -8.162 -0.245 1.00 0.42 C ATOM 597 O GLN A 36 -6.212 -8.286 -0.998 1.00 0.66 O ATOM 598 CB GLN A 36 -5.218 -9.762 1.713 1.00 0.52 C ATOM 599 CG GLN A 36 -6.357 -10.682 1.250 1.00 0.80 C ATOM 600 CD GLN A 36 -6.054 -12.136 1.578 1.00 0.98 C ATOM 601 OE1 GLN A 36 -5.007 -12.651 1.197 1.00 1.74 O ATOM 602 NE2 GLN A 36 -6.943 -12.818 2.286 1.00 1.08 N ATOM 0 H GLN A 36 -7.471 -8.130 0.962 1.00 0.19 H new ATOM 0 HA GLN A 36 -4.651 -7.713 1.749 1.00 0.31 H new ATOM 0 HB2 GLN A 36 -4.271 -10.137 1.325 1.00 0.52 H new ATOM 0 HB3 GLN A 36 -5.151 -9.791 2.801 1.00 0.52 H new ATOM 0 HG2 GLN A 36 -7.288 -10.384 1.732 1.00 0.80 H new ATOM 0 HG3 GLN A 36 -6.504 -10.571 0.176 1.00 0.80 H new ATOM 0 HE21 GLN A 36 -7.806 -12.368 2.591 1.00 1.08 H new ATOM 0 HE22 GLN A 36 -6.764 -13.793 2.526 1.00 1.08 H new ATOM 611 N GLY A 37 -4.024 -7.910 -0.688 1.00 0.33 N ATOM 612 CA GLY A 37 -3.709 -7.993 -2.097 1.00 0.35 C ATOM 613 C GLY A 37 -2.245 -7.678 -2.295 1.00 0.27 C ATOM 614 O GLY A 37 -1.489 -7.575 -1.331 1.00 0.29 O ATOM 0 H GLY A 37 -3.240 -7.648 -0.091 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -3.933 -8.991 -2.474 1.00 0.35 H new ATOM 0 HA3 GLY A 37 -4.324 -7.293 -2.662 1.00 0.35 H new ATOM 618 N LEU A 38 -1.842 -7.504 -3.545 1.00 0.33 N ATOM 619 CA LEU A 38 -0.545 -6.951 -3.856 1.00 0.33 C ATOM 620 C LEU A 38 -0.762 -5.713 -4.696 1.00 0.31 C ATOM 621 O LEU A 38 -1.812 -5.526 -5.309 1.00 0.35 O ATOM 622 CB LEU A 38 0.395 -8.003 -4.474 1.00 0.34 C ATOM 623 CG LEU A 38 -0.067 -8.660 -5.789 1.00 0.35 C ATOM 624 CD1 LEU A 38 0.018 -7.715 -6.991 1.00 0.39 C ATOM 625 CD2 LEU A 38 0.839 -9.855 -6.094 1.00 0.37 C ATOM 0 H LEU A 38 -2.404 -7.742 -4.362 1.00 0.33 H new ATOM 0 HA LEU A 38 -0.018 -6.649 -2.951 1.00 0.33 H new ATOM 0 HB2 LEU A 38 1.362 -7.532 -4.651 1.00 0.34 H new ATOM 0 HB3 LEU A 38 0.554 -8.791 -3.738 1.00 0.34 H new ATOM 0 HG LEU A 38 -1.108 -8.949 -5.645 1.00 0.35 H new ATOM 0 HD11 LEU A 38 -0.321 -8.235 -7.887 1.00 0.39 H new ATOM 0 HD12 LEU A 38 -0.615 -6.845 -6.815 1.00 0.39 H new ATOM 0 HD13 LEU A 38 1.050 -7.391 -7.127 1.00 0.39 H new ATOM 0 HD21 LEU A 38 0.519 -10.326 -7.023 1.00 0.37 H new ATOM 0 HD22 LEU A 38 1.869 -9.514 -6.196 1.00 0.37 H new ATOM 0 HD23 LEU A 38 0.775 -10.577 -5.280 1.00 0.37 H new ATOM 637 N ILE A 39 0.239 -4.850 -4.712 1.00 0.25 N ATOM 638 CA ILE A 39 0.239 -3.660 -5.513 1.00 0.21 C ATOM 639 C ILE A 39 1.444 -3.815 -6.423 1.00 0.21 C ATOM 640 O ILE A 39 2.568 -3.981 -5.947 1.00 0.23 O ATOM 641 CB ILE A 39 0.187 -2.398 -4.629 1.00 0.20 C ATOM 642 CG1 ILE A 39 1.209 -2.410 -3.476 1.00 0.20 C ATOM 643 CG2 ILE A 39 -1.236 -2.280 -4.058 1.00 0.23 C ATOM 644 CD1 ILE A 39 1.105 -1.167 -2.589 1.00 0.20 C ATOM 0 H ILE A 39 1.085 -4.968 -4.155 1.00 0.25 H new ATOM 0 HA ILE A 39 -0.647 -3.528 -6.134 1.00 0.21 H new ATOM 0 HB ILE A 39 0.448 -1.543 -5.252 1.00 0.20 H new ATOM 0 HG12 ILE A 39 1.055 -3.301 -2.867 1.00 0.20 H new ATOM 0 HG13 ILE A 39 2.216 -2.476 -3.888 1.00 0.20 H new ATOM 0 HG21 ILE A 39 -1.302 -1.394 -3.427 1.00 0.23 H new ATOM 0 HG22 ILE A 39 -1.951 -2.197 -4.877 1.00 0.23 H new ATOM 0 HG23 ILE A 39 -1.465 -3.166 -3.465 1.00 0.23 H new ATOM 0 HD11 ILE A 39 1.847 -1.225 -1.792 1.00 0.20 H new ATOM 0 HD12 ILE A 39 1.287 -0.275 -3.189 1.00 0.20 H new ATOM 0 HD13 ILE A 39 0.108 -1.114 -2.153 1.00 0.20 H new ATOM 656 N VAL A 40 1.178 -3.915 -7.725 1.00 0.29 N ATOM 657 CA VAL A 40 2.193 -4.061 -8.750 1.00 0.32 C ATOM 658 C VAL A 40 2.708 -2.649 -9.015 1.00 0.37 C ATOM 659 O VAL A 40 1.931 -1.791 -9.433 1.00 0.43 O ATOM 660 CB VAL A 40 1.604 -4.689 -10.028 1.00 0.32 C ATOM 661 CG1 VAL A 40 2.731 -5.079 -10.989 1.00 0.36 C ATOM 662 CG2 VAL A 40 0.806 -5.964 -9.725 1.00 0.37 C ATOM 0 H VAL A 40 0.229 -3.896 -8.097 1.00 0.29 H new ATOM 0 HA VAL A 40 2.995 -4.727 -8.431 1.00 0.32 H new ATOM 0 HB VAL A 40 0.945 -3.941 -10.468 1.00 0.32 H new ATOM 0 HG11 VAL A 40 2.305 -5.522 -11.889 1.00 0.36 H new ATOM 0 HG12 VAL A 40 3.304 -4.191 -11.258 1.00 0.36 H new ATOM 0 HG13 VAL A 40 3.388 -5.802 -10.505 1.00 0.36 H new ATOM 0 HG21 VAL A 40 0.409 -6.374 -10.654 1.00 0.37 H new ATOM 0 HG22 VAL A 40 1.459 -6.699 -9.254 1.00 0.37 H new ATOM 0 HG23 VAL A 40 -0.018 -5.726 -9.052 1.00 0.37 H new ATOM 672 N PRO A 41 3.974 -2.359 -8.707 1.00 0.49 N ATOM 673 CA PRO A 41 4.543 -1.072 -9.034 1.00 0.56 C ATOM 674 C PRO A 41 4.846 -0.954 -10.531 1.00 0.47 C ATOM 675 O PRO A 41 4.652 -1.894 -11.295 1.00 0.46 O ATOM 676 CB PRO A 41 5.815 -0.959 -8.196 1.00 0.76 C ATOM 677 CG PRO A 41 6.070 -2.337 -7.578 1.00 0.66 C ATOM 678 CD PRO A 41 4.931 -3.232 -8.056 1.00 0.63 C ATOM 0 HA PRO A 41 3.847 -0.263 -8.813 1.00 0.56 H new ATOM 0 HB2 PRO A 41 6.658 -0.652 -8.815 1.00 0.76 H new ATOM 0 HB3 PRO A 41 5.699 -0.204 -7.419 1.00 0.76 H new ATOM 0 HG2 PRO A 41 7.035 -2.733 -7.893 1.00 0.66 H new ATOM 0 HG3 PRO A 41 6.089 -2.279 -6.490 1.00 0.66 H new ATOM 0 HD2 PRO A 41 5.297 -3.992 -8.747 1.00 0.63 H new ATOM 0 HD3 PRO A 41 4.471 -3.757 -7.219 1.00 0.63 H new ATOM 686 N ASP A 42 5.382 0.208 -10.909 1.00 0.52 N ATOM 687 CA ASP A 42 5.845 0.578 -12.241 1.00 0.44 C ATOM 688 C ASP A 42 7.250 1.167 -12.103 1.00 0.38 C ATOM 689 O ASP A 42 8.198 0.673 -12.702 1.00 0.39 O ATOM 690 CB ASP A 42 4.916 1.621 -12.879 1.00 0.50 C ATOM 691 CG ASP A 42 3.668 1.005 -13.501 1.00 0.72 C ATOM 692 OD1 ASP A 42 2.564 1.352 -13.024 1.00 1.90 O ATOM 693 OD2 ASP A 42 3.835 0.239 -14.475 1.00 2.45 O ATOM 0 H ASP A 42 5.512 0.968 -10.241 1.00 0.52 H new ATOM 0 HA ASP A 42 5.849 -0.304 -12.881 1.00 0.44 H new ATOM 0 HB2 ASP A 42 4.618 2.346 -12.121 1.00 0.50 H new ATOM 0 HB3 ASP A 42 5.465 2.168 -13.645 1.00 0.50 H new ATOM 698 N ASN A 43 7.373 2.239 -11.309 1.00 0.37 N ATOM 699 CA ASN A 43 8.623 2.955 -11.055 1.00 0.31 C ATOM 700 C ASN A 43 9.701 2.040 -10.461 1.00 0.28 C ATOM 701 O ASN A 43 10.752 1.872 -11.078 1.00 0.31 O ATOM 702 CB ASN A 43 8.375 4.200 -10.179 1.00 0.35 C ATOM 703 CG ASN A 43 8.612 5.491 -10.947 1.00 0.43 C ATOM 704 OD1 ASN A 43 9.752 5.866 -11.192 1.00 0.51 O ATOM 705 ND2 ASN A 43 7.555 6.186 -11.349 1.00 0.54 N ATOM 0 H ASN A 43 6.579 2.642 -10.812 1.00 0.37 H new ATOM 0 HA ASN A 43 9.007 3.298 -12.016 1.00 0.31 H new ATOM 0 HB2 ASN A 43 7.351 4.183 -9.805 1.00 0.35 H new ATOM 0 HB3 ASN A 43 9.032 4.169 -9.310 1.00 0.35 H new ATOM 0 HD21 ASN A 43 7.683 7.051 -11.873 1.00 0.54 H new ATOM 0 HD22 ASN A 43 6.615 5.855 -11.134 1.00 0.54 H new ATOM 712 N PRO A 44 9.524 1.477 -9.253 1.00 0.25 N ATOM 713 CA PRO A 44 10.502 0.550 -8.715 1.00 0.25 C ATOM 714 C PRO A 44 10.414 -0.788 -9.461 1.00 0.24 C ATOM 715 O PRO A 44 9.408 -1.067 -10.109 1.00 0.28 O ATOM 716 CB PRO A 44 10.169 0.419 -7.227 1.00 0.26 C ATOM 717 CG PRO A 44 8.670 0.663 -7.188 1.00 0.24 C ATOM 718 CD PRO A 44 8.429 1.668 -8.317 1.00 0.26 C ATOM 0 HA PRO A 44 11.529 0.895 -8.840 1.00 0.25 H new ATOM 0 HB2 PRO A 44 10.427 -0.567 -6.841 1.00 0.26 H new ATOM 0 HB3 PRO A 44 10.712 1.149 -6.626 1.00 0.26 H new ATOM 0 HG2 PRO A 44 8.111 -0.259 -7.348 1.00 0.24 H new ATOM 0 HG3 PRO A 44 8.356 1.063 -6.224 1.00 0.24 H new ATOM 0 HD2 PRO A 44 7.467 1.493 -8.799 1.00 0.26 H new ATOM 0 HD3 PRO A 44 8.413 2.689 -7.936 1.00 0.26 H new ATOM 726 N PRO A 45 11.461 -1.620 -9.351 1.00 0.24 N ATOM 727 CA PRO A 45 11.705 -2.834 -10.136 1.00 0.28 C ATOM 728 C PRO A 45 10.677 -3.961 -9.944 1.00 0.41 C ATOM 729 O PRO A 45 10.982 -5.029 -9.414 1.00 0.81 O ATOM 730 CB PRO A 45 13.133 -3.258 -9.785 1.00 0.32 C ATOM 731 CG PRO A 45 13.370 -2.611 -8.438 1.00 0.26 C ATOM 732 CD PRO A 45 12.633 -1.296 -8.568 1.00 0.25 C ATOM 0 HA PRO A 45 11.588 -2.617 -11.198 1.00 0.28 H new ATOM 0 HB2 PRO A 45 13.229 -4.343 -9.732 1.00 0.32 H new ATOM 0 HB3 PRO A 45 13.850 -2.911 -10.529 1.00 0.32 H new ATOM 0 HG2 PRO A 45 12.976 -3.217 -7.622 1.00 0.26 H new ATOM 0 HG3 PRO A 45 14.432 -2.463 -8.241 1.00 0.26 H new ATOM 0 HD2 PRO A 45 12.361 -0.894 -7.592 1.00 0.25 H new ATOM 0 HD3 PRO A 45 13.247 -0.543 -9.063 1.00 0.25 H new ATOM 740 N TYR A 46 9.470 -3.772 -10.473 1.00 0.26 N ATOM 741 CA TYR A 46 8.388 -4.740 -10.391 1.00 0.35 C ATOM 742 C TYR A 46 8.645 -5.958 -11.273 1.00 0.42 C ATOM 743 O TYR A 46 7.992 -6.982 -11.123 1.00 0.77 O ATOM 744 CB TYR A 46 7.070 -4.082 -10.798 1.00 0.40 C ATOM 745 CG TYR A 46 6.974 -3.761 -12.273 1.00 0.46 C ATOM 746 CD1 TYR A 46 7.445 -2.529 -12.762 1.00 2.14 C ATOM 747 CD2 TYR A 46 6.420 -4.706 -13.155 1.00 2.07 C ATOM 748 CE1 TYR A 46 7.342 -2.229 -14.129 1.00 2.35 C ATOM 749 CE2 TYR A 46 6.322 -4.417 -14.526 1.00 2.08 C ATOM 750 CZ TYR A 46 6.770 -3.170 -15.016 1.00 1.07 C ATOM 751 OH TYR A 46 6.639 -2.884 -16.341 1.00 1.40 O ATOM 0 H TYR A 46 9.216 -2.924 -10.980 1.00 0.26 H new ATOM 0 HA TYR A 46 8.330 -5.082 -9.358 1.00 0.35 H new ATOM 0 HB2 TYR A 46 6.247 -4.742 -10.526 1.00 0.40 H new ATOM 0 HB3 TYR A 46 6.943 -3.162 -10.227 1.00 0.40 H new ATOM 0 HD1 TYR A 46 7.886 -1.813 -12.085 1.00 2.14 H new ATOM 0 HD2 TYR A 46 6.069 -5.655 -12.778 1.00 2.07 H new ATOM 0 HE1 TYR A 46 7.699 -1.281 -14.503 1.00 2.35 H new ATOM 0 HE2 TYR A 46 5.905 -5.147 -15.204 1.00 2.08 H new ATOM 0 HH TYR A 46 6.227 -3.645 -16.801 1.00 1.40 H new ATOM 761 N ASP A 47 9.596 -5.908 -12.205 1.00 0.37 N ATOM 762 CA ASP A 47 9.838 -7.077 -13.050 1.00 0.39 C ATOM 763 C ASP A 47 10.348 -8.268 -12.229 1.00 0.52 C ATOM 764 O ASP A 47 10.419 -9.397 -12.716 1.00 0.99 O ATOM 765 CB ASP A 47 10.811 -6.737 -14.191 1.00 0.43 C ATOM 766 CG ASP A 47 10.236 -7.046 -15.575 1.00 1.41 C ATOM 767 OD1 ASP A 47 9.242 -7.805 -15.652 1.00 2.71 O ATOM 768 OD2 ASP A 47 10.825 -6.519 -16.541 1.00 2.18 O ATOM 0 H ASP A 47 10.192 -5.102 -12.391 1.00 0.37 H new ATOM 0 HA ASP A 47 8.885 -7.368 -13.492 1.00 0.39 H new ATOM 0 HB2 ASP A 47 11.070 -5.679 -14.138 1.00 0.43 H new ATOM 0 HB3 ASP A 47 11.735 -7.298 -14.053 1.00 0.43 H new ATOM 773 N LYS A 48 10.735 -8.026 -10.971 1.00 0.26 N ATOM 774 CA LYS A 48 11.266 -9.060 -10.102 1.00 0.30 C ATOM 775 C LYS A 48 10.210 -9.559 -9.110 1.00 0.30 C ATOM 776 O LYS A 48 10.476 -10.541 -8.422 1.00 0.44 O ATOM 777 CB LYS A 48 12.533 -8.531 -9.408 1.00 0.40 C ATOM 778 CG LYS A 48 13.732 -8.439 -10.371 1.00 0.51 C ATOM 779 CD LYS A 48 13.694 -7.233 -11.319 1.00 1.05 C ATOM 780 CE LYS A 48 14.949 -7.223 -12.197 1.00 1.10 C ATOM 781 NZ LYS A 48 15.030 -6.020 -13.049 1.00 2.75 N ATOM 0 H LYS A 48 10.685 -7.105 -10.535 1.00 0.26 H new ATOM 0 HA LYS A 48 11.542 -9.930 -10.697 1.00 0.30 H new ATOM 0 HB2 LYS A 48 12.330 -7.546 -8.989 1.00 0.40 H new ATOM 0 HB3 LYS A 48 12.788 -9.186 -8.575 1.00 0.40 H new ATOM 0 HG2 LYS A 48 14.650 -8.396 -9.785 1.00 0.51 H new ATOM 0 HG3 LYS A 48 13.776 -9.352 -10.966 1.00 0.51 H new ATOM 0 HD2 LYS A 48 12.802 -7.278 -11.944 1.00 1.05 H new ATOM 0 HD3 LYS A 48 13.634 -6.309 -10.744 1.00 1.05 H new ATOM 0 HE2 LYS A 48 15.834 -7.276 -11.562 1.00 1.10 H new ATOM 0 HE3 LYS A 48 14.955 -8.112 -12.827 1.00 1.10 H new ATOM 0 HZ1 LYS A 48 15.030 -6.303 -14.050 1.00 2.75 H new ATOM 0 HZ2 LYS A 48 14.211 -5.407 -12.862 1.00 2.75 H new ATOM 0 HZ3 LYS A 48 15.906 -5.502 -12.836 1.00 2.75 H new ATOM 795 N GLY A 49 9.035 -8.922 -9.017 1.00 0.27 N ATOM 796 CA GLY A 49 8.026 -9.224 -8.007 1.00 0.29 C ATOM 797 C GLY A 49 7.150 -7.994 -7.755 1.00 0.32 C ATOM 798 O GLY A 49 7.055 -7.114 -8.602 1.00 0.44 O ATOM 0 H GLY A 49 8.760 -8.173 -9.653 1.00 0.27 H new ATOM 0 HA2 GLY A 49 7.408 -10.059 -8.337 1.00 0.29 H new ATOM 0 HA3 GLY A 49 8.509 -9.532 -7.080 1.00 0.29 H new ATOM 802 N ALA A 50 6.490 -7.912 -6.603 1.00 0.26 N ATOM 803 CA ALA A 50 5.562 -6.838 -6.280 1.00 0.31 C ATOM 804 C ALA A 50 5.599 -6.596 -4.773 1.00 0.27 C ATOM 805 O ALA A 50 6.499 -7.081 -4.087 1.00 0.25 O ATOM 806 CB ALA A 50 4.162 -7.239 -6.764 1.00 0.38 C ATOM 0 H ALA A 50 6.588 -8.602 -5.858 1.00 0.26 H new ATOM 0 HA ALA A 50 5.839 -5.908 -6.777 1.00 0.31 H new ATOM 0 HB1 ALA A 50 3.454 -6.444 -6.529 1.00 0.38 H new ATOM 0 HB2 ALA A 50 4.182 -7.400 -7.842 1.00 0.38 H new ATOM 0 HB3 ALA A 50 3.854 -8.158 -6.265 1.00 0.38 H new ATOM 812 N PHE A 51 4.614 -5.879 -4.233 1.00 0.32 N ATOM 813 CA PHE A 51 4.536 -5.598 -2.810 1.00 0.32 C ATOM 814 C PHE A 51 3.214 -6.138 -2.288 1.00 0.29 C ATOM 815 O PHE A 51 2.165 -5.660 -2.705 1.00 0.29 O ATOM 816 CB PHE A 51 4.667 -4.083 -2.589 1.00 0.43 C ATOM 817 CG PHE A 51 6.085 -3.688 -2.244 1.00 0.55 C ATOM 818 CD1 PHE A 51 6.923 -3.009 -3.148 1.00 1.08 C ATOM 819 CD2 PHE A 51 6.586 -4.096 -1.003 1.00 2.26 C ATOM 820 CE1 PHE A 51 8.269 -2.768 -2.809 1.00 1.02 C ATOM 821 CE2 PHE A 51 7.922 -3.854 -0.663 1.00 2.94 C ATOM 822 CZ PHE A 51 8.771 -3.197 -1.568 1.00 1.93 C ATOM 0 H PHE A 51 3.849 -5.478 -4.776 1.00 0.32 H new ATOM 0 HA PHE A 51 5.346 -6.083 -2.264 1.00 0.32 H new ATOM 0 HB2 PHE A 51 4.351 -3.555 -3.489 1.00 0.43 H new ATOM 0 HB3 PHE A 51 3.998 -3.773 -1.786 1.00 0.43 H new ATOM 0 HD1 PHE A 51 6.535 -2.674 -4.099 1.00 1.08 H new ATOM 0 HD2 PHE A 51 5.937 -4.601 -0.303 1.00 2.26 H new ATOM 0 HE1 PHE A 51 8.916 -2.253 -3.504 1.00 1.02 H new ATOM 0 HE2 PHE A 51 8.300 -4.173 0.297 1.00 2.94 H new ATOM 0 HZ PHE A 51 9.805 -3.022 -1.312 1.00 1.93 H new ATOM 832 N ARG A 52 3.228 -7.134 -1.395 1.00 0.29 N ATOM 833 CA ARG A 52 1.968 -7.580 -0.809 1.00 0.26 C ATOM 834 C ARG A 52 1.681 -6.703 0.394 1.00 0.24 C ATOM 835 O ARG A 52 2.579 -6.477 1.209 1.00 0.28 O ATOM 836 CB ARG A 52 1.995 -9.054 -0.404 1.00 0.34 C ATOM 837 CG ARG A 52 0.560 -9.557 -0.220 1.00 0.51 C ATOM 838 CD ARG A 52 0.564 -11.024 0.185 1.00 0.50 C ATOM 839 NE ARG A 52 -0.788 -11.524 0.464 1.00 0.97 N ATOM 840 CZ ARG A 52 -1.024 -12.754 0.932 1.00 1.31 C ATOM 841 NH1 ARG A 52 -2.267 -13.152 1.199 1.00 1.88 N ATOM 842 NH2 ARG A 52 -0.002 -13.588 1.131 1.00 1.68 N ATOM 0 H ARG A 52 4.062 -7.626 -1.075 1.00 0.29 H new ATOM 0 HA ARG A 52 1.180 -7.489 -1.557 1.00 0.26 H new ATOM 0 HB2 ARG A 52 2.504 -9.643 -1.167 1.00 0.34 H new ATOM 0 HB3 ARG A 52 2.557 -9.178 0.522 1.00 0.34 H new ATOM 0 HG2 ARG A 52 0.054 -8.964 0.541 1.00 0.51 H new ATOM 0 HG3 ARG A 52 0.001 -9.430 -1.147 1.00 0.51 H new ATOM 0 HD2 ARG A 52 1.013 -11.618 -0.611 1.00 0.50 H new ATOM 0 HD3 ARG A 52 1.188 -11.154 1.070 1.00 0.50 H new ATOM 0 HE ARG A 52 -1.582 -10.906 0.293 1.00 0.97 H new ATOM 0 HH11 ARG A 52 -3.050 -12.516 1.047 1.00 1.88 H new ATOM 0 HH12 ARG A 52 -2.436 -14.093 1.556 1.00 1.88 H new ATOM 0 HH21 ARG A 52 0.950 -13.286 0.926 1.00 1.68 H new ATOM 0 HH22 ARG A 52 -0.173 -14.528 1.488 1.00 1.68 H new ATOM 856 N ILE A 53 0.442 -6.236 0.524 1.00 0.19 N ATOM 857 CA ILE A 53 0.029 -5.407 1.634 1.00 0.19 C ATOM 858 C ILE A 53 -1.327 -5.887 2.137 1.00 0.19 C ATOM 859 O ILE A 53 -2.046 -6.617 1.451 1.00 0.25 O ATOM 860 CB ILE A 53 0.037 -3.918 1.240 1.00 0.17 C ATOM 861 CG1 ILE A 53 -1.025 -3.544 0.192 1.00 0.17 C ATOM 862 CG2 ILE A 53 1.419 -3.535 0.694 1.00 0.19 C ATOM 863 CD1 ILE A 53 -1.320 -2.044 0.250 1.00 0.19 C ATOM 0 H ILE A 53 -0.302 -6.428 -0.146 1.00 0.19 H new ATOM 0 HA ILE A 53 0.739 -5.500 2.456 1.00 0.19 H new ATOM 0 HB ILE A 53 -0.202 -3.366 2.149 1.00 0.17 H new ATOM 0 HG12 ILE A 53 -0.675 -3.815 -0.804 1.00 0.17 H new ATOM 0 HG13 ILE A 53 -1.939 -4.109 0.373 1.00 0.17 H new ATOM 0 HG21 ILE A 53 1.421 -2.481 0.416 1.00 0.19 H new ATOM 0 HG22 ILE A 53 2.174 -3.710 1.460 1.00 0.19 H new ATOM 0 HG23 ILE A 53 1.645 -4.142 -0.183 1.00 0.19 H new ATOM 0 HD11 ILE A 53 -2.073 -1.792 -0.497 1.00 0.19 H new ATOM 0 HD12 ILE A 53 -1.691 -1.784 1.242 1.00 0.19 H new ATOM 0 HD13 ILE A 53 -0.406 -1.485 0.046 1.00 0.19 H new ATOM 875 N GLU A 54 -1.667 -5.481 3.355 1.00 0.18 N ATOM 876 CA GLU A 54 -2.868 -5.907 4.036 1.00 0.19 C ATOM 877 C GLU A 54 -3.440 -4.654 4.685 1.00 0.20 C ATOM 878 O GLU A 54 -2.697 -3.919 5.341 1.00 0.23 O ATOM 879 CB GLU A 54 -2.455 -6.977 5.046 1.00 0.25 C ATOM 880 CG GLU A 54 -3.625 -7.560 5.838 1.00 0.33 C ATOM 881 CD GLU A 54 -3.092 -8.594 6.825 1.00 0.65 C ATOM 882 OE1 GLU A 54 -3.458 -9.779 6.692 1.00 1.42 O ATOM 883 OE2 GLU A 54 -2.265 -8.183 7.676 1.00 1.73 O ATOM 0 H GLU A 54 -1.099 -4.833 3.901 1.00 0.18 H new ATOM 0 HA GLU A 54 -3.629 -6.345 3.390 1.00 0.19 H new ATOM 0 HB2 GLU A 54 -1.947 -7.784 4.519 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -1.735 -6.548 5.742 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -4.151 -6.768 6.371 1.00 0.33 H new ATOM 0 HG3 GLU A 54 -4.345 -8.021 5.162 1.00 0.33 H new ATOM 890 N ILE A 55 -4.721 -4.369 4.445 1.00 0.21 N ATOM 891 CA ILE A 55 -5.351 -3.127 4.861 1.00 0.22 C ATOM 892 C ILE A 55 -6.394 -3.499 5.901 1.00 0.21 C ATOM 893 O ILE A 55 -7.451 -4.040 5.587 1.00 0.37 O ATOM 894 CB ILE A 55 -5.966 -2.357 3.674 1.00 0.23 C ATOM 895 CG1 ILE A 55 -5.045 -2.349 2.436 1.00 0.25 C ATOM 896 CG2 ILE A 55 -6.304 -0.932 4.133 1.00 0.28 C ATOM 897 CD1 ILE A 55 -5.509 -3.369 1.392 1.00 0.70 C ATOM 0 H ILE A 55 -5.350 -5.002 3.952 1.00 0.21 H new ATOM 0 HA ILE A 55 -4.611 -2.446 5.282 1.00 0.22 H new ATOM 0 HB ILE A 55 -6.877 -2.868 3.361 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -5.034 -1.353 1.994 1.00 0.25 H new ATOM 0 HG13 ILE A 55 -4.023 -2.575 2.739 1.00 0.25 H new ATOM 0 HG21 ILE A 55 -6.740 -0.376 3.303 1.00 0.28 H new ATOM 0 HG22 ILE A 55 -7.018 -0.974 4.956 1.00 0.28 H new ATOM 0 HG23 ILE A 55 -5.395 -0.432 4.467 1.00 0.28 H new ATOM 0 HD11 ILE A 55 -4.840 -3.339 0.532 1.00 0.70 H new ATOM 0 HD12 ILE A 55 -5.495 -4.368 1.828 1.00 0.70 H new ATOM 0 HD13 ILE A 55 -6.522 -3.127 1.072 1.00 0.70 H new ATOM 909 N ASN A 56 -6.068 -3.265 7.162 1.00 0.49 N ATOM 910 CA ASN A 56 -6.936 -3.610 8.265 1.00 0.50 C ATOM 911 C ASN A 56 -7.971 -2.493 8.379 1.00 0.50 C ATOM 912 O ASN A 56 -7.630 -1.391 8.817 1.00 0.51 O ATOM 913 CB ASN A 56 -6.096 -3.746 9.553 1.00 0.56 C ATOM 914 CG ASN A 56 -4.751 -4.443 9.333 1.00 0.69 C ATOM 915 OD1 ASN A 56 -3.698 -3.849 9.543 1.00 1.44 O ATOM 916 ND2 ASN A 56 -4.757 -5.686 8.869 1.00 1.02 N ATOM 0 H ASN A 56 -5.190 -2.829 7.445 1.00 0.49 H new ATOM 0 HA ASN A 56 -7.441 -4.563 8.107 1.00 0.50 H new ATOM 0 HB2 ASN A 56 -5.919 -2.754 9.968 1.00 0.56 H new ATOM 0 HB3 ASN A 56 -6.669 -4.304 10.294 1.00 0.56 H new ATOM 0 HD21 ASN A 56 -3.876 -6.164 8.681 1.00 1.02 H new ATOM 0 HD22 ASN A 56 -5.643 -6.163 8.701 1.00 1.02 H new ATOM 923 N PHE A 57 -9.222 -2.752 7.980 1.00 0.49 N ATOM 924 CA PHE A 57 -10.270 -1.733 8.029 1.00 0.52 C ATOM 925 C PHE A 57 -11.312 -2.128 9.077 1.00 0.59 C ATOM 926 O PHE A 57 -12.210 -2.918 8.798 1.00 0.75 O ATOM 927 CB PHE A 57 -10.896 -1.496 6.639 1.00 0.47 C ATOM 928 CG PHE A 57 -11.071 -0.042 6.242 1.00 0.63 C ATOM 929 CD1 PHE A 57 -10.950 0.326 4.890 1.00 1.23 C ATOM 930 CD2 PHE A 57 -11.329 0.949 7.206 1.00 2.15 C ATOM 931 CE1 PHE A 57 -11.100 1.670 4.503 1.00 1.16 C ATOM 932 CE2 PHE A 57 -11.421 2.298 6.825 1.00 2.52 C ATOM 933 CZ PHE A 57 -11.331 2.660 5.470 1.00 1.42 C ATOM 0 H PHE A 57 -9.530 -3.656 7.621 1.00 0.49 H new ATOM 0 HA PHE A 57 -9.830 -0.781 8.325 1.00 0.52 H new ATOM 0 HB2 PHE A 57 -10.273 -1.987 5.891 1.00 0.47 H new ATOM 0 HB3 PHE A 57 -11.871 -1.982 6.611 1.00 0.47 H new ATOM 0 HD1 PHE A 57 -10.741 -0.427 4.145 1.00 1.23 H new ATOM 0 HD2 PHE A 57 -11.457 0.672 8.242 1.00 2.15 H new ATOM 0 HE1 PHE A 57 -11.037 1.940 3.459 1.00 1.16 H new ATOM 0 HE2 PHE A 57 -11.562 3.060 7.577 1.00 2.52 H new ATOM 0 HZ PHE A 57 -11.439 3.693 5.175 1.00 1.42 H new ATOM 943 N PRO A 58 -11.208 -1.618 10.310 1.00 0.55 N ATOM 944 CA PRO A 58 -12.098 -2.037 11.373 1.00 0.64 C ATOM 945 C PRO A 58 -13.518 -1.530 11.128 1.00 0.61 C ATOM 946 O PRO A 58 -13.760 -0.659 10.293 1.00 0.54 O ATOM 947 CB PRO A 58 -11.489 -1.469 12.658 1.00 0.67 C ATOM 948 CG PRO A 58 -10.720 -0.241 12.174 1.00 0.57 C ATOM 949 CD PRO A 58 -10.220 -0.668 10.794 1.00 0.50 C ATOM 0 HA PRO A 58 -12.188 -3.122 11.433 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -12.258 -1.201 13.383 1.00 0.67 H new ATOM 0 HB3 PRO A 58 -10.831 -2.190 13.143 1.00 0.67 H new ATOM 0 HG2 PRO A 58 -11.361 0.639 12.116 1.00 0.57 H new ATOM 0 HG3 PRO A 58 -9.896 0.008 12.842 1.00 0.57 H new ATOM 0 HD2 PRO A 58 -10.134 0.187 10.124 1.00 0.50 H new ATOM 0 HD3 PRO A 58 -9.232 -1.124 10.857 1.00 0.50 H new ATOM 957 N ALA A 59 -14.471 -2.062 11.899 1.00 0.66 N ATOM 958 CA ALA A 59 -15.868 -1.655 11.819 1.00 0.64 C ATOM 959 C ALA A 59 -16.001 -0.160 12.060 1.00 0.48 C ATOM 960 O ALA A 59 -16.860 0.503 11.484 1.00 0.49 O ATOM 961 CB ALA A 59 -16.696 -2.446 12.824 1.00 0.75 C ATOM 0 H ALA A 59 -14.291 -2.786 12.594 1.00 0.66 H new ATOM 0 HA ALA A 59 -16.244 -1.867 10.818 1.00 0.64 H new ATOM 0 HB1 ALA A 59 -17.739 -2.137 12.759 1.00 0.75 H new ATOM 0 HB2 ALA A 59 -16.618 -3.510 12.602 1.00 0.75 H new ATOM 0 HB3 ALA A 59 -16.324 -2.257 13.831 1.00 0.75 H new ATOM 967 N GLU A 60 -15.098 0.368 12.878 1.00 0.38 N ATOM 968 CA GLU A 60 -14.937 1.778 13.138 1.00 0.25 C ATOM 969 C GLU A 60 -14.295 2.524 11.965 1.00 0.22 C ATOM 970 O GLU A 60 -13.688 3.558 12.198 1.00 0.26 O ATOM 971 CB GLU A 60 -14.068 1.918 14.392 1.00 0.31 C ATOM 972 CG GLU A 60 -14.790 1.330 15.602 1.00 0.49 C ATOM 973 CD GLU A 60 -14.066 1.747 16.886 1.00 0.82 C ATOM 974 OE1 GLU A 60 -14.124 2.955 17.223 1.00 2.17 O ATOM 975 OE2 GLU A 60 -13.420 0.866 17.491 1.00 1.34 O ATOM 0 H GLU A 60 -14.434 -0.207 13.396 1.00 0.38 H new ATOM 0 HA GLU A 60 -15.920 2.226 13.282 1.00 0.25 H new ATOM 0 HB2 GLU A 60 -13.117 1.407 14.243 1.00 0.31 H new ATOM 0 HB3 GLU A 60 -13.841 2.969 14.570 1.00 0.31 H new ATOM 0 HG2 GLU A 60 -15.823 1.677 15.626 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -14.821 0.243 15.527 1.00 0.49 H new ATOM 982 N TYR A 61 -14.455 2.091 10.712 1.00 0.24 N ATOM 983 CA TYR A 61 -14.026 2.869 9.547 1.00 0.30 C ATOM 984 C TYR A 61 -14.479 4.337 9.655 1.00 0.29 C ATOM 985 O TYR A 61 -13.648 5.244 9.630 1.00 0.30 O ATOM 986 CB TYR A 61 -14.473 2.162 8.248 1.00 0.45 C ATOM 987 CG TYR A 61 -14.837 3.042 7.056 1.00 0.42 C ATOM 988 CD1 TYR A 61 -15.945 2.701 6.256 1.00 1.76 C ATOM 989 CD2 TYR A 61 -14.098 4.200 6.746 1.00 1.62 C ATOM 990 CE1 TYR A 61 -16.332 3.528 5.188 1.00 1.74 C ATOM 991 CE2 TYR A 61 -14.499 5.047 5.705 1.00 1.70 C ATOM 992 CZ TYR A 61 -15.626 4.721 4.921 1.00 0.59 C ATOM 993 OH TYR A 61 -16.039 5.549 3.921 1.00 0.72 O ATOM 0 H TYR A 61 -14.883 1.196 10.477 1.00 0.24 H new ATOM 0 HA TYR A 61 -12.937 2.913 9.517 1.00 0.30 H new ATOM 0 HB2 TYR A 61 -13.672 1.490 7.938 1.00 0.45 H new ATOM 0 HB3 TYR A 61 -15.337 1.541 8.484 1.00 0.45 H new ATOM 0 HD1 TYR A 61 -16.500 1.799 6.465 1.00 1.76 H new ATOM 0 HD2 TYR A 61 -13.213 4.438 7.317 1.00 1.62 H new ATOM 0 HE1 TYR A 61 -17.172 3.250 4.569 1.00 1.74 H new ATOM 0 HE2 TYR A 61 -13.945 5.951 5.502 1.00 1.70 H new ATOM 0 HH TYR A 61 -15.940 6.481 4.206 1.00 0.72 H new ATOM 1003 N PRO A 62 -15.777 4.639 9.780 1.00 0.31 N ATOM 1004 CA PRO A 62 -16.203 6.026 9.848 1.00 0.34 C ATOM 1005 C PRO A 62 -15.836 6.683 11.190 1.00 0.33 C ATOM 1006 O PRO A 62 -16.031 7.883 11.351 1.00 0.40 O ATOM 1007 CB PRO A 62 -17.710 5.984 9.591 1.00 0.39 C ATOM 1008 CG PRO A 62 -18.123 4.606 10.107 1.00 0.38 C ATOM 1009 CD PRO A 62 -16.906 3.729 9.812 1.00 0.36 C ATOM 0 HA PRO A 62 -15.695 6.648 9.111 1.00 0.34 H new ATOM 0 HB2 PRO A 62 -18.230 6.783 10.120 1.00 0.39 H new ATOM 0 HB3 PRO A 62 -17.940 6.101 8.532 1.00 0.39 H new ATOM 0 HG2 PRO A 62 -18.351 4.629 11.173 1.00 0.38 H new ATOM 0 HG3 PRO A 62 -19.014 4.238 9.598 1.00 0.38 H new ATOM 0 HD2 PRO A 62 -16.775 2.967 10.580 1.00 0.36 H new ATOM 0 HD3 PRO A 62 -17.018 3.208 8.861 1.00 0.36 H new ATOM 1017 N PHE A 63 -15.313 5.920 12.154 1.00 0.29 N ATOM 1018 CA PHE A 63 -14.866 6.391 13.460 1.00 0.30 C ATOM 1019 C PHE A 63 -13.356 6.649 13.528 1.00 0.31 C ATOM 1020 O PHE A 63 -12.930 7.401 14.400 1.00 0.39 O ATOM 1021 CB PHE A 63 -15.263 5.366 14.530 1.00 0.31 C ATOM 1022 CG PHE A 63 -16.458 5.765 15.367 1.00 0.36 C ATOM 1023 CD1 PHE A 63 -16.269 6.199 16.691 1.00 1.86 C ATOM 1024 CD2 PHE A 63 -17.757 5.689 14.833 1.00 1.65 C ATOM 1025 CE1 PHE A 63 -17.374 6.558 17.481 1.00 1.99 C ATOM 1026 CE2 PHE A 63 -18.864 6.046 15.625 1.00 1.61 C ATOM 1027 CZ PHE A 63 -18.671 6.480 16.948 1.00 0.68 C ATOM 0 H PHE A 63 -15.186 4.915 12.037 1.00 0.29 H new ATOM 0 HA PHE A 63 -15.354 7.349 13.639 1.00 0.30 H new ATOM 0 HB2 PHE A 63 -15.478 4.415 14.042 1.00 0.31 H new ATOM 0 HB3 PHE A 63 -14.412 5.200 15.190 1.00 0.31 H new ATOM 0 HD1 PHE A 63 -15.272 6.257 17.102 1.00 1.86 H new ATOM 0 HD2 PHE A 63 -17.905 5.357 13.816 1.00 1.65 H new ATOM 0 HE1 PHE A 63 -17.226 6.894 18.497 1.00 1.99 H new ATOM 0 HE2 PHE A 63 -19.862 5.987 15.216 1.00 1.61 H new ATOM 0 HZ PHE A 63 -19.521 6.754 17.555 1.00 0.68 H new ATOM 1037 N LYS A 64 -12.535 5.997 12.697 1.00 0.26 N ATOM 1038 CA LYS A 64 -11.080 6.100 12.726 1.00 0.30 C ATOM 1039 C LYS A 64 -10.515 5.607 11.396 1.00 0.32 C ATOM 1040 O LYS A 64 -11.124 4.769 10.737 1.00 0.33 O ATOM 1041 CB LYS A 64 -10.504 5.247 13.872 1.00 0.38 C ATOM 1042 CG LYS A 64 -10.282 6.070 15.150 1.00 2.23 C ATOM 1043 CD LYS A 64 -11.003 5.456 16.349 1.00 2.64 C ATOM 1044 CE LYS A 64 -11.032 6.477 17.486 1.00 4.29 C ATOM 1045 NZ LYS A 64 -11.300 5.829 18.787 1.00 4.73 N ATOM 0 H LYS A 64 -12.877 5.369 11.970 1.00 0.26 H new ATOM 0 HA LYS A 64 -10.802 7.141 12.888 1.00 0.30 H new ATOM 0 HB2 LYS A 64 -11.183 4.422 14.086 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -9.558 4.807 13.556 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -9.215 6.134 15.361 1.00 2.23 H new ATOM 0 HG3 LYS A 64 -10.638 7.088 14.994 1.00 2.23 H new ATOM 0 HD2 LYS A 64 -12.018 5.171 16.073 1.00 2.64 H new ATOM 0 HD3 LYS A 64 -10.493 4.548 16.671 1.00 2.64 H new ATOM 0 HE2 LYS A 64 -10.078 7.002 17.529 1.00 4.29 H new ATOM 0 HE3 LYS A 64 -11.799 7.225 17.286 1.00 4.29 H new ATOM 0 HZ1 LYS A 64 -11.313 6.549 19.537 1.00 4.73 H new ATOM 0 HZ2 LYS A 64 -12.222 5.348 18.752 1.00 4.73 H new ATOM 0 HZ3 LYS A 64 -10.554 5.133 18.988 1.00 4.73 H new ATOM 1059 N PRO A 65 -9.333 6.086 10.995 1.00 0.33 N ATOM 1060 CA PRO A 65 -8.709 5.645 9.763 1.00 0.33 C ATOM 1061 C PRO A 65 -8.246 4.188 9.905 1.00 0.31 C ATOM 1062 O PRO A 65 -7.989 3.727 11.018 1.00 0.33 O ATOM 1063 CB PRO A 65 -7.541 6.610 9.560 1.00 0.33 C ATOM 1064 CG PRO A 65 -7.143 6.999 10.983 1.00 0.34 C ATOM 1065 CD PRO A 65 -8.473 6.989 11.737 1.00 0.33 C ATOM 0 HA PRO A 65 -9.382 5.659 8.906 1.00 0.33 H new ATOM 0 HB2 PRO A 65 -6.716 6.135 9.029 1.00 0.33 H new ATOM 0 HB3 PRO A 65 -7.837 7.480 8.975 1.00 0.33 H new ATOM 0 HG2 PRO A 65 -6.434 6.290 11.410 1.00 0.34 H new ATOM 0 HG3 PRO A 65 -6.671 7.981 11.014 1.00 0.34 H new ATOM 0 HD2 PRO A 65 -8.339 6.648 12.764 1.00 0.33 H new ATOM 0 HD3 PRO A 65 -8.904 7.989 11.786 1.00 0.33 H new ATOM 1073 N PRO A 66 -8.122 3.453 8.790 1.00 0.31 N ATOM 1074 CA PRO A 66 -7.604 2.097 8.795 1.00 0.27 C ATOM 1075 C PRO A 66 -6.110 2.097 9.095 1.00 0.24 C ATOM 1076 O PRO A 66 -5.460 3.141 9.167 1.00 0.28 O ATOM 1077 CB PRO A 66 -7.872 1.543 7.395 1.00 0.39 C ATOM 1078 CG PRO A 66 -7.912 2.785 6.514 1.00 0.47 C ATOM 1079 CD PRO A 66 -8.400 3.903 7.439 1.00 0.41 C ATOM 0 HA PRO A 66 -8.081 1.488 9.563 1.00 0.27 H new ATOM 0 HB2 PRO A 66 -7.088 0.855 7.080 1.00 0.39 H new ATOM 0 HB3 PRO A 66 -8.813 0.994 7.355 1.00 0.39 H new ATOM 0 HG2 PRO A 66 -6.928 3.012 6.104 1.00 0.47 H new ATOM 0 HG3 PRO A 66 -8.586 2.649 5.668 1.00 0.47 H new ATOM 0 HD2 PRO A 66 -7.884 4.839 7.226 1.00 0.41 H new ATOM 0 HD3 PRO A 66 -9.465 4.087 7.300 1.00 0.41 H new ATOM 1087 N LYS A 67 -5.545 0.896 9.189 1.00 0.26 N ATOM 1088 CA LYS A 67 -4.107 0.718 9.212 1.00 0.24 C ATOM 1089 C LYS A 67 -3.739 -0.164 8.038 1.00 0.21 C ATOM 1090 O LYS A 67 -4.566 -0.912 7.527 1.00 0.32 O ATOM 1091 CB LYS A 67 -3.661 0.127 10.559 1.00 0.35 C ATOM 1092 CG LYS A 67 -3.091 1.246 11.437 1.00 0.87 C ATOM 1093 CD LYS A 67 -1.665 1.614 10.994 1.00 0.82 C ATOM 1094 CE LYS A 67 -1.372 3.108 11.161 1.00 2.56 C ATOM 1095 NZ LYS A 67 -1.546 3.560 12.555 1.00 3.07 N ATOM 0 H LYS A 67 -6.074 0.026 9.251 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.588 1.672 9.116 1.00 0.24 H new ATOM 0 HB2 LYS A 67 -4.505 -0.349 11.058 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -2.908 -0.645 10.399 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -3.733 2.124 11.377 1.00 0.87 H new ATOM 0 HG3 LYS A 67 -3.082 0.928 12.480 1.00 0.87 H new ATOM 0 HD2 LYS A 67 -0.946 1.038 11.576 1.00 0.82 H new ATOM 0 HD3 LYS A 67 -1.528 1.334 9.950 1.00 0.82 H new ATOM 0 HE2 LYS A 67 -0.351 3.314 10.839 1.00 2.56 H new ATOM 0 HE3 LYS A 67 -2.033 3.681 10.510 1.00 2.56 H new ATOM 0 HZ1 LYS A 67 -1.288 4.565 12.629 1.00 3.07 H new ATOM 0 HZ2 LYS A 67 -2.539 3.436 12.839 1.00 3.07 H new ATOM 0 HZ3 LYS A 67 -0.934 2.999 13.181 1.00 3.07 H new ATOM 1109 N ILE A 68 -2.493 -0.054 7.600 1.00 0.16 N ATOM 1110 CA ILE A 68 -1.956 -0.878 6.540 1.00 0.15 C ATOM 1111 C ILE A 68 -0.644 -1.411 7.075 1.00 0.14 C ATOM 1112 O ILE A 68 0.083 -0.674 7.743 1.00 0.20 O ATOM 1113 CB ILE A 68 -1.718 -0.055 5.264 1.00 0.13 C ATOM 1114 CG1 ILE A 68 -2.713 1.110 5.121 1.00 0.17 C ATOM 1115 CG2 ILE A 68 -1.759 -0.963 4.032 1.00 0.19 C ATOM 1116 CD1 ILE A 68 -2.356 1.956 3.911 1.00 0.23 C ATOM 0 H ILE A 68 -1.825 0.618 7.978 1.00 0.16 H new ATOM 0 HA ILE A 68 -2.646 -1.677 6.268 1.00 0.15 H new ATOM 0 HB ILE A 68 -0.726 0.390 5.345 1.00 0.13 H new ATOM 0 HG12 ILE A 68 -3.726 0.722 5.017 1.00 0.17 H new ATOM 0 HG13 ILE A 68 -2.697 1.724 6.021 1.00 0.17 H new ATOM 0 HG21 ILE A 68 -1.589 -0.367 3.135 1.00 0.19 H new ATOM 0 HG22 ILE A 68 -0.983 -1.724 4.115 1.00 0.19 H new ATOM 0 HG23 ILE A 68 -2.734 -1.445 3.968 1.00 0.19 H new ATOM 0 HD11 ILE A 68 -3.066 2.778 3.819 1.00 0.23 H new ATOM 0 HD12 ILE A 68 -1.350 2.358 4.032 1.00 0.23 H new ATOM 0 HD13 ILE A 68 -2.395 1.340 3.012 1.00 0.23 H new ATOM 1128 N THR A 69 -0.329 -2.665 6.774 1.00 0.13 N ATOM 1129 CA THR A 69 0.972 -3.197 7.117 1.00 0.14 C ATOM 1130 C THR A 69 1.433 -4.053 5.947 1.00 0.14 C ATOM 1131 O THR A 69 0.738 -4.986 5.537 1.00 0.20 O ATOM 1132 CB THR A 69 0.880 -4.002 8.422 1.00 0.17 C ATOM 1133 OG1 THR A 69 0.026 -3.383 9.363 1.00 0.23 O ATOM 1134 CG2 THR A 69 2.261 -4.129 9.065 1.00 0.20 C ATOM 0 H THR A 69 -0.951 -3.320 6.300 1.00 0.13 H new ATOM 0 HA THR A 69 1.697 -2.402 7.290 1.00 0.14 H new ATOM 0 HB THR A 69 0.480 -4.981 8.158 1.00 0.17 H new ATOM 0 HG1 THR A 69 -0.009 -3.924 10.179 1.00 0.23 H new ATOM 0 HG21 THR A 69 2.181 -4.702 9.989 1.00 0.20 H new ATOM 0 HG22 THR A 69 2.936 -4.640 8.379 1.00 0.20 H new ATOM 0 HG23 THR A 69 2.652 -3.136 9.286 1.00 0.20 H new ATOM 1142 N PHE A 70 2.586 -3.716 5.376 1.00 0.14 N ATOM 1143 CA PHE A 70 3.157 -4.492 4.293 1.00 0.14 C ATOM 1144 C PHE A 70 3.558 -5.855 4.843 1.00 0.14 C ATOM 1145 O PHE A 70 3.993 -5.972 5.988 1.00 0.23 O ATOM 1146 CB PHE A 70 4.357 -3.770 3.667 1.00 0.18 C ATOM 1147 CG PHE A 70 4.012 -2.597 2.759 1.00 0.19 C ATOM 1148 CD1 PHE A 70 3.114 -1.582 3.147 1.00 0.17 C ATOM 1149 CD2 PHE A 70 4.611 -2.524 1.489 1.00 0.24 C ATOM 1150 CE1 PHE A 70 2.830 -0.519 2.274 1.00 0.17 C ATOM 1151 CE2 PHE A 70 4.354 -1.448 0.625 1.00 0.25 C ATOM 1152 CZ PHE A 70 3.469 -0.435 1.025 1.00 0.21 C ATOM 0 H PHE A 70 3.141 -2.906 5.651 1.00 0.14 H new ATOM 0 HA PHE A 70 2.419 -4.618 3.500 1.00 0.14 H new ATOM 0 HB2 PHE A 70 5.001 -3.410 4.469 1.00 0.18 H new ATOM 0 HB3 PHE A 70 4.936 -4.494 3.093 1.00 0.18 H new ATOM 0 HD1 PHE A 70 2.643 -1.622 4.118 1.00 0.17 H new ATOM 0 HD2 PHE A 70 5.281 -3.310 1.173 1.00 0.24 H new ATOM 0 HE1 PHE A 70 2.117 0.238 2.564 1.00 0.17 H new ATOM 0 HE2 PHE A 70 4.834 -1.400 -0.341 1.00 0.25 H new ATOM 0 HZ PHE A 70 3.280 0.407 0.375 1.00 0.21 H new ATOM 1162 N LYS A 71 3.393 -6.898 4.034 1.00 0.29 N ATOM 1163 CA LYS A 71 3.856 -8.234 4.376 1.00 0.34 C ATOM 1164 C LYS A 71 5.276 -8.416 3.855 1.00 0.36 C ATOM 1165 O LYS A 71 6.088 -9.080 4.498 1.00 0.40 O ATOM 1166 CB LYS A 71 2.925 -9.298 3.778 1.00 0.36 C ATOM 1167 CG LYS A 71 1.419 -9.069 4.000 1.00 0.48 C ATOM 1168 CD LYS A 71 0.929 -9.237 5.445 1.00 0.57 C ATOM 1169 CE LYS A 71 1.325 -8.068 6.354 1.00 0.95 C ATOM 1170 NZ LYS A 71 0.459 -7.994 7.551 1.00 1.34 N ATOM 0 H LYS A 71 2.935 -6.838 3.125 1.00 0.29 H new ATOM 0 HA LYS A 71 3.848 -8.353 5.459 1.00 0.34 H new ATOM 0 HB2 LYS A 71 3.111 -9.355 2.705 1.00 0.36 H new ATOM 0 HB3 LYS A 71 3.192 -10.267 4.200 1.00 0.36 H new ATOM 0 HG2 LYS A 71 1.170 -8.062 3.665 1.00 0.48 H new ATOM 0 HG3 LYS A 71 0.867 -9.762 3.365 1.00 0.48 H new ATOM 0 HD2 LYS A 71 -0.156 -9.338 5.445 1.00 0.57 H new ATOM 0 HD3 LYS A 71 1.335 -10.162 5.855 1.00 0.57 H new ATOM 0 HE2 LYS A 71 2.364 -8.181 6.662 1.00 0.95 H new ATOM 0 HE3 LYS A 71 1.258 -7.134 5.797 1.00 0.95 H new ATOM 0 HZ1 LYS A 71 0.675 -7.127 8.083 1.00 1.34 H new ATOM 0 HZ2 LYS A 71 -0.539 -7.981 7.257 1.00 1.34 H new ATOM 0 HZ3 LYS A 71 0.631 -8.823 8.156 1.00 1.34 H new ATOM 1184 N THR A 72 5.587 -7.861 2.682 1.00 0.36 N ATOM 1185 CA THR A 72 6.891 -8.056 2.086 1.00 0.36 C ATOM 1186 C THR A 72 7.808 -6.908 2.506 1.00 0.44 C ATOM 1187 O THR A 72 7.367 -5.766 2.605 1.00 0.69 O ATOM 1188 CB THR A 72 6.746 -8.204 0.568 1.00 0.31 C ATOM 1189 OG1 THR A 72 6.120 -7.084 -0.015 1.00 0.45 O ATOM 1190 CG2 THR A 72 5.872 -9.415 0.242 1.00 0.21 C ATOM 0 H THR A 72 4.952 -7.278 2.136 1.00 0.36 H new ATOM 0 HA THR A 72 7.353 -8.977 2.441 1.00 0.36 H new ATOM 0 HB THR A 72 7.755 -8.313 0.170 1.00 0.31 H new ATOM 0 HG1 THR A 72 6.767 -6.353 -0.096 1.00 0.45 H new ATOM 0 HG21 THR A 72 5.774 -9.513 -0.839 1.00 0.21 H new ATOM 0 HG22 THR A 72 6.333 -10.316 0.648 1.00 0.21 H new ATOM 0 HG23 THR A 72 4.885 -9.281 0.685 1.00 0.21 H new ATOM 1198 N LYS A 73 9.081 -7.222 2.766 1.00 0.31 N ATOM 1199 CA LYS A 73 10.090 -6.290 3.262 1.00 0.32 C ATOM 1200 C LYS A 73 10.126 -5.028 2.411 1.00 0.46 C ATOM 1201 O LYS A 73 10.212 -5.128 1.189 1.00 0.89 O ATOM 1202 CB LYS A 73 11.458 -6.987 3.234 1.00 0.37 C ATOM 1203 CG LYS A 73 11.979 -7.361 4.618 1.00 0.70 C ATOM 1204 CD LYS A 73 10.954 -8.158 5.425 1.00 0.57 C ATOM 1205 CE LYS A 73 11.689 -9.054 6.422 1.00 0.79 C ATOM 1206 NZ LYS A 73 10.740 -9.794 7.278 1.00 1.74 N ATOM 0 H LYS A 73 9.446 -8.165 2.631 1.00 0.31 H new ATOM 0 HA LYS A 73 9.841 -5.997 4.282 1.00 0.32 H new ATOM 0 HB2 LYS A 73 11.385 -7.889 2.626 1.00 0.37 H new ATOM 0 HB3 LYS A 73 12.181 -6.332 2.747 1.00 0.37 H new ATOM 0 HG2 LYS A 73 12.892 -7.947 4.514 1.00 0.70 H new ATOM 0 HG3 LYS A 73 12.242 -6.454 5.163 1.00 0.70 H new ATOM 0 HD2 LYS A 73 10.282 -7.481 5.952 1.00 0.57 H new ATOM 0 HD3 LYS A 73 10.339 -8.763 4.759 1.00 0.57 H new ATOM 0 HE2 LYS A 73 12.322 -9.759 5.883 1.00 0.79 H new ATOM 0 HE3 LYS A 73 12.346 -8.447 7.044 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 11.268 -10.393 7.944 1.00 1.74 H new ATOM 0 HZ2 LYS A 73 10.153 -9.120 7.809 1.00 1.74 H new ATOM 0 HZ3 LYS A 73 10.130 -10.391 6.684 1.00 1.74 H new ATOM 1220 N ILE A 74 10.102 -3.855 3.045 1.00 0.30 N ATOM 1221 CA ILE A 74 10.008 -2.586 2.342 1.00 0.35 C ATOM 1222 C ILE A 74 11.325 -1.834 2.430 1.00 0.42 C ATOM 1223 O ILE A 74 12.040 -1.946 3.420 1.00 0.53 O ATOM 1224 CB ILE A 74 8.834 -1.747 2.879 1.00 0.35 C ATOM 1225 CG1 ILE A 74 9.059 -1.127 4.269 1.00 0.37 C ATOM 1226 CG2 ILE A 74 7.565 -2.598 2.957 1.00 0.53 C ATOM 1227 CD1 ILE A 74 9.749 0.240 4.218 1.00 0.40 C ATOM 0 H ILE A 74 10.147 -3.764 4.060 1.00 0.30 H new ATOM 0 HA ILE A 74 9.808 -2.784 1.289 1.00 0.35 H new ATOM 0 HB ILE A 74 8.741 -0.927 2.167 1.00 0.35 H new ATOM 0 HG12 ILE A 74 8.098 -1.023 4.773 1.00 0.37 H new ATOM 0 HG13 ILE A 74 9.661 -1.808 4.870 1.00 0.37 H new ATOM 0 HG21 ILE A 74 6.743 -1.992 3.338 1.00 0.53 H new ATOM 0 HG22 ILE A 74 7.313 -2.967 1.963 1.00 0.53 H new ATOM 0 HG23 ILE A 74 7.734 -3.442 3.625 1.00 0.53 H new ATOM 0 HD11 ILE A 74 9.877 0.621 5.231 1.00 0.40 H new ATOM 0 HD12 ILE A 74 10.725 0.138 3.743 1.00 0.40 H new ATOM 0 HD13 ILE A 74 9.137 0.935 3.644 1.00 0.40 H new ATOM 1239 N TYR A 75 11.606 -1.031 1.405 1.00 0.42 N ATOM 1240 CA TYR A 75 12.748 -0.125 1.371 1.00 0.48 C ATOM 1241 C TYR A 75 12.282 1.326 1.250 1.00 0.64 C ATOM 1242 O TYR A 75 13.101 2.236 1.182 1.00 1.08 O ATOM 1243 CB TYR A 75 13.651 -0.495 0.181 1.00 0.47 C ATOM 1244 CG TYR A 75 15.120 -0.560 0.534 1.00 0.80 C ATOM 1245 CD1 TYR A 75 15.880 0.610 0.717 1.00 2.30 C ATOM 1246 CD2 TYR A 75 15.721 -1.814 0.713 1.00 1.74 C ATOM 1247 CE1 TYR A 75 17.240 0.519 1.067 1.00 2.67 C ATOM 1248 CE2 TYR A 75 17.068 -1.917 1.088 1.00 2.09 C ATOM 1249 CZ TYR A 75 17.839 -0.745 1.260 1.00 1.96 C ATOM 1250 OH TYR A 75 19.152 -0.832 1.613 1.00 2.55 O ATOM 0 H TYR A 75 11.035 -0.993 0.561 1.00 0.42 H new ATOM 0 HA TYR A 75 13.310 -0.223 2.300 1.00 0.48 H new ATOM 0 HB2 TYR A 75 13.338 -1.461 -0.216 1.00 0.47 H new ATOM 0 HB3 TYR A 75 13.509 0.237 -0.614 1.00 0.47 H new ATOM 0 HD1 TYR A 75 15.419 1.578 0.589 1.00 2.30 H new ATOM 0 HD2 TYR A 75 15.139 -2.711 0.560 1.00 1.74 H new ATOM 0 HE1 TYR A 75 17.827 1.418 1.188 1.00 2.67 H new ATOM 0 HE2 TYR A 75 17.515 -2.888 1.245 1.00 2.09 H new ATOM 0 HH TYR A 75 19.404 -1.774 1.706 1.00 2.55 H new ATOM 1260 N HIS A 76 10.973 1.554 1.111 1.00 0.34 N ATOM 1261 CA HIS A 76 10.440 2.855 0.741 1.00 0.29 C ATOM 1262 C HIS A 76 10.223 3.680 1.996 1.00 0.26 C ATOM 1263 O HIS A 76 9.557 3.202 2.903 1.00 0.32 O ATOM 1264 CB HIS A 76 9.117 2.679 -0.003 1.00 0.30 C ATOM 1265 CG HIS A 76 9.291 2.232 -1.430 1.00 0.50 C ATOM 1266 ND1 HIS A 76 9.315 0.927 -1.893 1.00 0.63 N ATOM 1267 CD2 HIS A 76 9.379 3.070 -2.505 1.00 1.08 C ATOM 1268 CE1 HIS A 76 9.426 0.980 -3.235 1.00 1.03 C ATOM 1269 NE2 HIS A 76 9.448 2.269 -3.624 1.00 1.36 N ATOM 0 H HIS A 76 10.259 0.839 1.253 1.00 0.34 H new ATOM 0 HA HIS A 76 11.146 3.368 0.087 1.00 0.29 H new ATOM 0 HB2 HIS A 76 8.505 1.949 0.527 1.00 0.30 H new ATOM 0 HB3 HIS A 76 8.572 3.623 0.011 1.00 0.30 H new ATOM 0 HD2 HIS A 76 9.392 4.150 -2.482 1.00 1.08 H new ATOM 0 HE1 HIS A 76 9.487 0.126 -3.893 1.00 1.03 H new ATOM 0 HE2 HIS A 76 9.506 2.598 -4.588 1.00 1.36 H new ATOM 1278 N PRO A 77 10.661 4.942 2.019 1.00 0.23 N ATOM 1279 CA PRO A 77 10.598 5.788 3.202 1.00 0.23 C ATOM 1280 C PRO A 77 9.172 6.071 3.652 1.00 0.23 C ATOM 1281 O PRO A 77 8.944 6.470 4.789 1.00 0.28 O ATOM 1282 CB PRO A 77 11.300 7.078 2.786 1.00 0.22 C ATOM 1283 CG PRO A 77 11.078 7.146 1.278 1.00 0.20 C ATOM 1284 CD PRO A 77 11.193 5.678 0.884 1.00 0.23 C ATOM 0 HA PRO A 77 11.068 5.301 4.057 1.00 0.23 H new ATOM 0 HB2 PRO A 77 10.875 7.945 3.292 1.00 0.22 H new ATOM 0 HB3 PRO A 77 12.361 7.053 3.033 1.00 0.22 H new ATOM 0 HG2 PRO A 77 10.103 7.563 1.026 1.00 0.20 H new ATOM 0 HG3 PRO A 77 11.826 7.763 0.781 1.00 0.20 H new ATOM 0 HD2 PRO A 77 10.627 5.467 -0.024 1.00 0.23 H new ATOM 0 HD3 PRO A 77 12.229 5.403 0.685 1.00 0.23 H new ATOM 1292 N ASN A 78 8.208 5.928 2.744 1.00 0.20 N ATOM 1293 CA ASN A 78 6.812 6.225 3.017 1.00 0.20 C ATOM 1294 C ASN A 78 6.196 5.191 3.971 1.00 0.22 C ATOM 1295 O ASN A 78 5.126 5.428 4.529 1.00 0.29 O ATOM 1296 CB ASN A 78 6.015 6.268 1.709 1.00 0.25 C ATOM 1297 CG ASN A 78 6.801 6.795 0.511 1.00 0.92 C ATOM 1298 OD1 ASN A 78 7.065 7.983 0.370 1.00 1.17 O ATOM 1299 ND2 ASN A 78 7.168 5.890 -0.386 1.00 2.55 N ATOM 0 H ASN A 78 8.380 5.600 1.793 1.00 0.20 H new ATOM 0 HA ASN A 78 6.767 7.201 3.500 1.00 0.20 H new ATOM 0 HB2 ASN A 78 5.659 5.263 1.481 1.00 0.25 H new ATOM 0 HB3 ASN A 78 5.134 6.893 1.854 1.00 0.25 H new ATOM 0 HD21 ASN A 78 7.683 6.177 -1.218 1.00 2.55 H new ATOM 0 HD22 ASN A 78 6.935 4.907 -0.244 1.00 2.55 H new ATOM 1306 N ILE A 79 6.846 4.034 4.120 1.00 0.21 N ATOM 1307 CA ILE A 79 6.478 2.936 4.996 1.00 0.25 C ATOM 1308 C ILE A 79 7.683 2.740 5.935 1.00 0.29 C ATOM 1309 O ILE A 79 8.754 3.295 5.695 1.00 0.34 O ATOM 1310 CB ILE A 79 6.129 1.705 4.121 1.00 0.26 C ATOM 1311 CG1 ILE A 79 5.157 2.092 2.986 1.00 0.24 C ATOM 1312 CG2 ILE A 79 5.523 0.524 4.908 1.00 0.30 C ATOM 1313 CD1 ILE A 79 5.810 2.075 1.596 1.00 0.43 C ATOM 0 H ILE A 79 7.697 3.834 3.595 1.00 0.21 H new ATOM 0 HA ILE A 79 5.593 3.116 5.606 1.00 0.25 H new ATOM 0 HB ILE A 79 7.084 1.370 3.715 1.00 0.26 H new ATOM 0 HG12 ILE A 79 4.311 1.405 2.991 1.00 0.24 H new ATOM 0 HG13 ILE A 79 4.759 3.088 3.181 1.00 0.24 H new ATOM 0 HG21 ILE A 79 5.307 -0.297 4.224 1.00 0.30 H new ATOM 0 HG22 ILE A 79 6.232 0.189 5.664 1.00 0.30 H new ATOM 0 HG23 ILE A 79 4.601 0.845 5.392 1.00 0.30 H new ATOM 0 HD11 ILE A 79 5.073 2.356 0.844 1.00 0.43 H new ATOM 0 HD12 ILE A 79 6.638 2.783 1.574 1.00 0.43 H new ATOM 0 HD13 ILE A 79 6.183 1.074 1.381 1.00 0.43 H new ATOM 1325 N ASP A 80 7.518 1.995 7.022 1.00 0.29 N ATOM 1326 CA ASP A 80 8.568 1.666 7.975 1.00 0.31 C ATOM 1327 C ASP A 80 8.975 0.222 7.742 1.00 0.29 C ATOM 1328 O ASP A 80 8.212 -0.547 7.159 1.00 0.33 O ATOM 1329 CB ASP A 80 8.005 1.786 9.390 1.00 0.43 C ATOM 1330 CG ASP A 80 9.025 1.403 10.454 1.00 0.58 C ATOM 1331 OD1 ASP A 80 9.986 2.181 10.634 1.00 1.64 O ATOM 1332 OD2 ASP A 80 8.843 0.310 11.040 1.00 1.09 O ATOM 0 H ASP A 80 6.616 1.589 7.272 1.00 0.29 H new ATOM 0 HA ASP A 80 9.419 2.336 7.853 1.00 0.31 H new ATOM 0 HB2 ASP A 80 7.673 2.810 9.561 1.00 0.43 H new ATOM 0 HB3 ASP A 80 7.127 1.146 9.485 1.00 0.43 H new ATOM 1337 N GLU A 81 10.142 -0.177 8.236 1.00 0.30 N ATOM 1338 CA GLU A 81 10.661 -1.526 8.077 1.00 0.32 C ATOM 1339 C GLU A 81 9.645 -2.569 8.540 1.00 0.31 C ATOM 1340 O GLU A 81 9.532 -3.640 7.943 1.00 0.34 O ATOM 1341 CB GLU A 81 11.995 -1.697 8.822 1.00 0.36 C ATOM 1342 CG GLU A 81 13.212 -1.202 8.023 1.00 0.80 C ATOM 1343 CD GLU A 81 13.494 0.299 8.166 1.00 2.72 C ATOM 1344 OE1 GLU A 81 12.544 1.099 8.020 1.00 3.94 O ATOM 1345 OE2 GLU A 81 14.670 0.638 8.417 1.00 3.64 O ATOM 0 H GLU A 81 10.761 0.438 8.765 1.00 0.30 H new ATOM 0 HA GLU A 81 10.844 -1.685 7.014 1.00 0.32 H new ATOM 0 HB2 GLU A 81 11.946 -1.156 9.767 1.00 0.36 H new ATOM 0 HB3 GLU A 81 12.134 -2.750 9.065 1.00 0.36 H new ATOM 0 HG2 GLU A 81 14.093 -1.757 8.344 1.00 0.80 H new ATOM 0 HG3 GLU A 81 13.057 -1.432 6.969 1.00 0.80 H new ATOM 1352 N LYS A 82 8.866 -2.263 9.578 1.00 0.30 N ATOM 1353 CA LYS A 82 7.849 -3.171 10.094 1.00 0.33 C ATOM 1354 C LYS A 82 6.564 -3.152 9.259 1.00 0.28 C ATOM 1355 O LYS A 82 5.508 -3.538 9.752 1.00 0.33 O ATOM 1356 CB LYS A 82 7.576 -2.806 11.566 1.00 0.39 C ATOM 1357 CG LYS A 82 7.596 -4.048 12.468 1.00 0.93 C ATOM 1358 CD LYS A 82 8.453 -3.793 13.711 1.00 1.15 C ATOM 1359 CE LYS A 82 8.669 -5.122 14.439 1.00 1.65 C ATOM 1360 NZ LYS A 82 9.360 -4.937 15.734 1.00 2.19 N ATOM 0 H LYS A 82 8.925 -1.378 10.082 1.00 0.30 H new ATOM 0 HA LYS A 82 8.222 -4.193 10.028 1.00 0.33 H new ATOM 0 HB2 LYS A 82 8.326 -2.093 11.910 1.00 0.39 H new ATOM 0 HB3 LYS A 82 6.607 -2.313 11.646 1.00 0.39 H new ATOM 0 HG2 LYS A 82 6.580 -4.305 12.766 1.00 0.93 H new ATOM 0 HG3 LYS A 82 7.991 -4.900 11.915 1.00 0.93 H new ATOM 0 HD2 LYS A 82 9.411 -3.358 13.427 1.00 1.15 H new ATOM 0 HD3 LYS A 82 7.961 -3.077 14.369 1.00 1.15 H new ATOM 0 HE2 LYS A 82 7.706 -5.604 14.607 1.00 1.65 H new ATOM 0 HE3 LYS A 82 9.254 -5.791 13.808 1.00 1.65 H new ATOM 0 HZ1 LYS A 82 9.487 -5.861 16.195 1.00 2.19 H new ATOM 0 HZ2 LYS A 82 10.290 -4.500 15.572 1.00 2.19 H new ATOM 0 HZ3 LYS A 82 8.790 -4.320 16.347 1.00 2.19 H new ATOM 1374 N GLY A 83 6.616 -2.671 8.017 1.00 0.25 N ATOM 1375 CA GLY A 83 5.481 -2.565 7.125 1.00 0.24 C ATOM 1376 C GLY A 83 4.498 -1.458 7.501 1.00 0.23 C ATOM 1377 O GLY A 83 3.564 -1.226 6.737 1.00 0.22 O ATOM 0 H GLY A 83 7.483 -2.335 7.598 1.00 0.25 H new ATOM 0 HA2 GLY A 83 5.843 -2.387 6.112 1.00 0.24 H new ATOM 0 HA3 GLY A 83 4.952 -3.518 7.112 1.00 0.24 H new ATOM 1381 N GLN A 84 4.659 -0.791 8.648 1.00 0.24 N ATOM 1382 CA GLN A 84 3.715 0.218 9.105 1.00 0.24 C ATOM 1383 C GLN A 84 3.730 1.421 8.172 1.00 0.23 C ATOM 1384 O GLN A 84 4.765 1.772 7.621 1.00 0.31 O ATOM 1385 CB GLN A 84 4.076 0.692 10.515 1.00 0.27 C ATOM 1386 CG GLN A 84 3.760 -0.370 11.570 1.00 0.47 C ATOM 1387 CD GLN A 84 4.023 0.175 12.971 1.00 0.80 C ATOM 1388 OE1 GLN A 84 3.370 1.113 13.411 1.00 1.28 O ATOM 1389 NE2 GLN A 84 4.973 -0.397 13.699 1.00 1.70 N ATOM 0 H GLN A 84 5.446 -0.939 9.279 1.00 0.24 H new ATOM 0 HA GLN A 84 2.723 -0.233 9.111 1.00 0.24 H new ATOM 0 HB2 GLN A 84 5.137 0.939 10.555 1.00 0.27 H new ATOM 0 HB3 GLN A 84 3.527 1.606 10.743 1.00 0.27 H new ATOM 0 HG2 GLN A 84 2.718 -0.679 11.483 1.00 0.47 H new ATOM 0 HG3 GLN A 84 4.371 -1.256 11.397 1.00 0.47 H new ATOM 0 HE21 GLN A 84 5.508 -1.177 13.317 1.00 1.70 H new ATOM 0 HE22 GLN A 84 5.169 -0.056 14.640 1.00 1.70 H new ATOM 1398 N VAL A 85 2.594 2.096 8.034 1.00 0.18 N ATOM 1399 CA VAL A 85 2.465 3.230 7.134 1.00 0.17 C ATOM 1400 C VAL A 85 2.081 4.483 7.918 1.00 0.19 C ATOM 1401 O VAL A 85 1.422 4.386 8.954 1.00 0.21 O ATOM 1402 CB VAL A 85 1.415 2.894 6.070 1.00 0.17 C ATOM 1403 CG1 VAL A 85 1.830 1.688 5.226 1.00 0.17 C ATOM 1404 CG2 VAL A 85 0.052 2.631 6.706 1.00 0.20 C ATOM 0 H VAL A 85 1.739 1.871 8.543 1.00 0.18 H new ATOM 0 HA VAL A 85 3.417 3.431 6.642 1.00 0.17 H new ATOM 0 HB VAL A 85 1.340 3.762 5.415 1.00 0.17 H new ATOM 0 HG11 VAL A 85 1.060 1.481 4.483 1.00 0.17 H new ATOM 0 HG12 VAL A 85 2.772 1.904 4.722 1.00 0.17 H new ATOM 0 HG13 VAL A 85 1.955 0.818 5.871 1.00 0.17 H new ATOM 0 HG21 VAL A 85 -0.673 2.395 5.927 1.00 0.20 H new ATOM 0 HG22 VAL A 85 0.129 1.791 7.397 1.00 0.20 H new ATOM 0 HG23 VAL A 85 -0.274 3.519 7.248 1.00 0.20 H new ATOM 1414 N CYS A 86 2.449 5.663 7.409 1.00 0.20 N ATOM 1415 CA CYS A 86 1.980 6.927 7.952 1.00 0.22 C ATOM 1416 C CYS A 86 1.736 7.906 6.802 1.00 0.23 C ATOM 1417 O CYS A 86 2.540 8.809 6.583 1.00 0.40 O ATOM 1418 CB CYS A 86 2.995 7.477 8.957 1.00 0.25 C ATOM 1419 SG CYS A 86 2.228 8.783 9.952 1.00 0.38 S ATOM 0 H CYS A 86 3.078 5.761 6.612 1.00 0.20 H new ATOM 0 HA CYS A 86 1.041 6.780 8.485 1.00 0.22 H new ATOM 0 HB2 CYS A 86 3.351 6.675 9.604 1.00 0.25 H new ATOM 0 HB3 CYS A 86 3.864 7.871 8.431 1.00 0.25 H new ATOM 0 HG CYS A 86 3.094 9.244 10.805 1.00 0.38 H new ATOM 1425 N LEU A 87 0.649 7.730 6.048 1.00 0.17 N ATOM 1426 CA LEU A 87 0.311 8.619 4.942 1.00 0.16 C ATOM 1427 C LEU A 87 -0.869 9.488 5.361 1.00 0.17 C ATOM 1428 O LEU A 87 -1.700 9.038 6.151 1.00 0.17 O ATOM 1429 CB LEU A 87 -0.064 7.821 3.684 1.00 0.15 C ATOM 1430 CG LEU A 87 1.054 7.003 3.031 1.00 0.15 C ATOM 1431 CD1 LEU A 87 2.364 7.782 2.955 1.00 0.18 C ATOM 1432 CD2 LEU A 87 1.303 5.665 3.716 1.00 0.17 C ATOM 0 H LEU A 87 -0.017 6.970 6.188 1.00 0.17 H new ATOM 0 HA LEU A 87 1.178 9.235 4.706 1.00 0.16 H new ATOM 0 HB2 LEU A 87 -0.877 7.142 3.941 1.00 0.15 H new ATOM 0 HB3 LEU A 87 -0.454 8.518 2.942 1.00 0.15 H new ATOM 0 HG LEU A 87 0.697 6.800 2.021 1.00 0.15 H new ATOM 0 HD11 LEU A 87 3.128 7.163 2.485 1.00 0.18 H new ATOM 0 HD12 LEU A 87 2.216 8.686 2.365 1.00 0.18 H new ATOM 0 HD13 LEU A 87 2.685 8.053 3.961 1.00 0.18 H new ATOM 0 HD21 LEU A 87 2.107 5.138 3.203 1.00 0.17 H new ATOM 0 HD22 LEU A 87 1.586 5.835 4.755 1.00 0.17 H new ATOM 0 HD23 LEU A 87 0.394 5.064 3.681 1.00 0.17 H new ATOM 1444 N PRO A 88 -1.005 10.702 4.806 1.00 0.19 N ATOM 1445 CA PRO A 88 -2.066 11.623 5.185 1.00 0.21 C ATOM 1446 C PRO A 88 -3.458 11.039 4.948 1.00 0.27 C ATOM 1447 O PRO A 88 -4.376 11.342 5.702 1.00 0.47 O ATOM 1448 CB PRO A 88 -1.814 12.919 4.414 1.00 0.23 C ATOM 1449 CG PRO A 88 -0.904 12.496 3.260 1.00 0.22 C ATOM 1450 CD PRO A 88 -0.119 11.316 3.833 1.00 0.20 C ATOM 0 HA PRO A 88 -2.046 11.818 6.257 1.00 0.21 H new ATOM 0 HB2 PRO A 88 -2.745 13.353 4.049 1.00 0.23 H new ATOM 0 HB3 PRO A 88 -1.337 13.671 5.043 1.00 0.23 H new ATOM 0 HG2 PRO A 88 -1.480 12.205 2.381 1.00 0.22 H new ATOM 0 HG3 PRO A 88 -0.243 13.306 2.954 1.00 0.22 H new ATOM 0 HD2 PRO A 88 0.156 10.609 3.050 1.00 0.20 H new ATOM 0 HD3 PRO A 88 0.807 11.650 4.300 1.00 0.20 H new ATOM 1458 N VAL A 89 -3.610 10.162 3.952 1.00 0.19 N ATOM 1459 CA VAL A 89 -4.875 9.497 3.626 1.00 0.17 C ATOM 1460 C VAL A 89 -5.477 8.781 4.841 1.00 0.16 C ATOM 1461 O VAL A 89 -6.692 8.633 4.930 1.00 0.19 O ATOM 1462 CB VAL A 89 -4.706 8.534 2.430 1.00 0.17 C ATOM 1463 CG1 VAL A 89 -4.470 9.331 1.144 1.00 0.17 C ATOM 1464 CG2 VAL A 89 -3.534 7.562 2.614 1.00 0.17 C ATOM 0 H VAL A 89 -2.843 9.889 3.338 1.00 0.19 H new ATOM 0 HA VAL A 89 -5.582 10.273 3.333 1.00 0.17 H new ATOM 0 HB VAL A 89 -5.626 7.954 2.368 1.00 0.17 H new ATOM 0 HG11 VAL A 89 -4.352 8.644 0.306 1.00 0.17 H new ATOM 0 HG12 VAL A 89 -5.322 9.985 0.960 1.00 0.17 H new ATOM 0 HG13 VAL A 89 -3.567 9.933 1.249 1.00 0.17 H new ATOM 0 HG21 VAL A 89 -3.462 6.909 1.744 1.00 0.17 H new ATOM 0 HG22 VAL A 89 -2.607 8.126 2.722 1.00 0.17 H new ATOM 0 HG23 VAL A 89 -3.698 6.959 3.507 1.00 0.17 H new ATOM 1474 N ILE A 90 -4.635 8.319 5.769 1.00 0.16 N ATOM 1475 CA ILE A 90 -5.055 7.605 6.969 1.00 0.16 C ATOM 1476 C ILE A 90 -4.406 8.206 8.212 1.00 0.17 C ATOM 1477 O ILE A 90 -4.308 7.557 9.252 1.00 0.22 O ATOM 1478 CB ILE A 90 -4.733 6.115 6.803 1.00 0.15 C ATOM 1479 CG1 ILE A 90 -3.223 5.894 6.600 1.00 0.15 C ATOM 1480 CG2 ILE A 90 -5.550 5.601 5.609 1.00 0.18 C ATOM 1481 CD1 ILE A 90 -2.876 4.421 6.412 1.00 0.16 C ATOM 0 H ILE A 90 -3.624 8.435 5.702 1.00 0.16 H new ATOM 0 HA ILE A 90 -6.132 7.708 7.105 1.00 0.16 H new ATOM 0 HB ILE A 90 -5.001 5.561 7.703 1.00 0.15 H new ATOM 0 HG12 ILE A 90 -2.889 6.458 5.729 1.00 0.15 H new ATOM 0 HG13 ILE A 90 -2.681 6.286 7.461 1.00 0.15 H new ATOM 0 HG21 ILE A 90 -5.347 4.541 5.459 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -6.612 5.743 5.807 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -5.271 6.154 4.712 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -1.800 4.316 6.273 1.00 0.16 H new ATOM 0 HD12 ILE A 90 -3.184 3.859 7.294 1.00 0.16 H new ATOM 0 HD13 ILE A 90 -3.395 4.034 5.535 1.00 0.16 H new ATOM 1493 N SER A 91 -3.944 9.449 8.110 1.00 0.19 N ATOM 1494 CA SER A 91 -3.363 10.144 9.234 1.00 0.22 C ATOM 1495 C SER A 91 -4.472 10.512 10.217 1.00 0.25 C ATOM 1496 O SER A 91 -5.632 10.641 9.834 1.00 0.35 O ATOM 1497 CB SER A 91 -2.633 11.369 8.693 1.00 0.27 C ATOM 1498 OG SER A 91 -2.284 12.241 9.748 1.00 0.45 O ATOM 0 H SER A 91 -3.965 9.993 7.247 1.00 0.19 H new ATOM 0 HA SER A 91 -2.647 9.524 9.773 1.00 0.22 H new ATOM 0 HB2 SER A 91 -1.736 11.058 8.158 1.00 0.27 H new ATOM 0 HB3 SER A 91 -3.267 11.891 7.976 1.00 0.27 H new ATOM 0 HG SER A 91 -1.815 13.021 9.386 1.00 0.45 H new ATOM 1504 N ALA A 92 -4.123 10.706 11.489 1.00 0.30 N ATOM 1505 CA ALA A 92 -5.086 11.092 12.507 1.00 0.35 C ATOM 1506 C ALA A 92 -5.611 12.498 12.220 1.00 0.36 C ATOM 1507 O ALA A 92 -6.815 12.724 12.179 1.00 0.37 O ATOM 1508 CB ALA A 92 -4.434 11.013 13.890 1.00 0.46 C ATOM 0 H ALA A 92 -3.170 10.600 11.836 1.00 0.30 H new ATOM 0 HA ALA A 92 -5.933 10.406 12.490 1.00 0.35 H new ATOM 0 HB1 ALA A 92 -5.159 11.303 14.651 1.00 0.46 H new ATOM 0 HB2 ALA A 92 -4.100 9.992 14.077 1.00 0.46 H new ATOM 0 HB3 ALA A 92 -3.578 11.687 13.928 1.00 0.46 H new ATOM 1514 N GLU A 93 -4.707 13.452 11.991 1.00 0.42 N ATOM 1515 CA GLU A 93 -5.083 14.836 11.710 1.00 0.50 C ATOM 1516 C GLU A 93 -5.715 14.991 10.323 1.00 0.47 C ATOM 1517 O GLU A 93 -6.229 16.055 9.991 1.00 0.67 O ATOM 1518 CB GLU A 93 -3.865 15.758 11.872 1.00 0.70 C ATOM 1519 CG GLU A 93 -2.774 15.434 10.845 1.00 2.20 C ATOM 1520 CD GLU A 93 -1.510 16.272 11.023 1.00 2.55 C ATOM 1521 OE1 GLU A 93 -1.642 17.451 11.417 1.00 2.42 O ATOM 1522 OE2 GLU A 93 -0.432 15.707 10.735 1.00 4.01 O ATOM 0 H GLU A 93 -3.700 13.287 11.995 1.00 0.42 H new ATOM 0 HA GLU A 93 -5.843 15.129 12.434 1.00 0.50 H new ATOM 0 HB2 GLU A 93 -4.176 16.797 11.759 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -3.461 15.655 12.879 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -2.515 14.378 10.921 1.00 2.20 H new ATOM 0 HG3 GLU A 93 -3.170 15.594 9.842 1.00 2.20 H new ATOM 1529 N ASN A 94 -5.679 13.954 9.480 1.00 0.38 N ATOM 1530 CA ASN A 94 -6.400 13.951 8.211 1.00 0.39 C ATOM 1531 C ASN A 94 -7.379 12.779 8.163 1.00 0.35 C ATOM 1532 O ASN A 94 -7.789 12.357 7.084 1.00 0.40 O ATOM 1533 CB ASN A 94 -5.422 13.966 7.026 1.00 0.43 C ATOM 1534 CG ASN A 94 -5.144 15.374 6.528 1.00 1.03 C ATOM 1535 OD1 ASN A 94 -5.449 15.709 5.391 1.00 1.90 O ATOM 1536 ND2 ASN A 94 -4.602 16.238 7.371 1.00 1.09 N ATOM 0 H ASN A 94 -5.152 13.100 9.660 1.00 0.38 H new ATOM 0 HA ASN A 94 -6.991 14.863 8.130 1.00 0.39 H new ATOM 0 HB2 ASN A 94 -4.485 13.497 7.325 1.00 0.43 H new ATOM 0 HB3 ASN A 94 -5.832 13.369 6.211 1.00 0.43 H new ATOM 0 HD21 ASN A 94 -4.432 17.200 7.077 1.00 1.09 H new ATOM 0 HD22 ASN A 94 -4.354 15.942 8.315 1.00 1.09 H new ATOM 1543 N TRP A 95 -7.826 12.293 9.323 1.00 0.32 N ATOM 1544 CA TRP A 95 -8.829 11.247 9.370 1.00 0.30 C ATOM 1545 C TRP A 95 -10.097 11.783 8.723 1.00 0.31 C ATOM 1546 O TRP A 95 -10.732 12.704 9.236 1.00 0.39 O ATOM 1547 CB TRP A 95 -9.067 10.798 10.817 1.00 0.31 C ATOM 1548 CG TRP A 95 -10.381 10.130 11.100 1.00 0.30 C ATOM 1549 CD1 TRP A 95 -10.972 9.149 10.376 1.00 0.25 C ATOM 1550 CD2 TRP A 95 -11.317 10.452 12.172 1.00 0.41 C ATOM 1551 NE1 TRP A 95 -12.220 8.872 10.905 1.00 0.28 N ATOM 1552 CE2 TRP A 95 -12.502 9.687 11.984 1.00 0.37 C ATOM 1553 CE3 TRP A 95 -11.286 11.337 13.271 1.00 0.56 C ATOM 1554 CZ2 TRP A 95 -13.624 9.841 12.810 1.00 0.46 C ATOM 1555 CZ3 TRP A 95 -12.389 11.464 14.134 1.00 0.66 C ATOM 1556 CH2 TRP A 95 -13.562 10.726 13.899 1.00 0.60 C ATOM 0 H TRP A 95 -7.505 12.612 10.237 1.00 0.32 H new ATOM 0 HA TRP A 95 -8.494 10.366 8.822 1.00 0.30 H new ATOM 0 HB2 TRP A 95 -8.268 10.112 11.098 1.00 0.31 H new ATOM 0 HB3 TRP A 95 -8.981 11.671 11.464 1.00 0.31 H new ATOM 0 HD1 TRP A 95 -10.536 8.659 9.518 1.00 0.25 H new ATOM 0 HE1 TRP A 95 -12.852 8.157 10.544 1.00 0.28 H new ATOM 0 HE3 TRP A 95 -10.400 11.927 13.452 1.00 0.56 H new ATOM 0 HZ2 TRP A 95 -14.528 9.284 12.611 1.00 0.46 H new ATOM 0 HZ3 TRP A 95 -12.335 12.132 14.981 1.00 0.66 H new ATOM 0 HH2 TRP A 95 -14.413 10.839 14.554 1.00 0.60 H new ATOM 1567 N LYS A 96 -10.456 11.220 7.570 1.00 0.34 N ATOM 1568 CA LYS A 96 -11.650 11.604 6.844 1.00 0.38 C ATOM 1569 C LYS A 96 -12.511 10.358 6.730 1.00 0.34 C ATOM 1570 O LYS A 96 -12.122 9.435 6.022 1.00 0.34 O ATOM 1571 CB LYS A 96 -11.287 12.156 5.454 1.00 0.47 C ATOM 1572 CG LYS A 96 -11.316 13.688 5.439 1.00 0.63 C ATOM 1573 CD LYS A 96 -10.100 14.311 6.128 1.00 0.81 C ATOM 1574 CE LYS A 96 -10.373 15.796 6.362 1.00 1.39 C ATOM 1575 NZ LYS A 96 -9.131 16.587 6.501 1.00 2.12 N ATOM 0 H LYS A 96 -9.919 10.481 7.117 1.00 0.34 H new ATOM 0 HA LYS A 96 -12.188 12.397 7.365 1.00 0.38 H new ATOM 0 HB2 LYS A 96 -10.295 11.806 5.169 1.00 0.47 H new ATOM 0 HB3 LYS A 96 -11.986 11.770 4.713 1.00 0.47 H new ATOM 0 HG2 LYS A 96 -11.361 14.036 4.407 1.00 0.63 H new ATOM 0 HG3 LYS A 96 -12.224 14.034 5.932 1.00 0.63 H new ATOM 0 HD2 LYS A 96 -9.905 13.809 7.076 1.00 0.81 H new ATOM 0 HD3 LYS A 96 -9.210 14.184 5.511 1.00 0.81 H new ATOM 0 HE2 LYS A 96 -10.959 16.189 5.531 1.00 1.39 H new ATOM 0 HE3 LYS A 96 -10.977 15.913 7.262 1.00 1.39 H new ATOM 0 HZ1 LYS A 96 -9.372 17.587 6.658 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -8.582 16.232 7.310 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -8.565 16.499 5.633 1.00 2.12 H new ATOM 1589 N PRO A 97 -13.691 10.312 7.355 1.00 0.34 N ATOM 1590 CA PRO A 97 -14.584 9.171 7.230 1.00 0.33 C ATOM 1591 C PRO A 97 -15.138 9.048 5.809 1.00 0.38 C ATOM 1592 O PRO A 97 -15.543 7.970 5.384 1.00 0.58 O ATOM 1593 CB PRO A 97 -15.667 9.401 8.284 1.00 0.35 C ATOM 1594 CG PRO A 97 -15.712 10.921 8.432 1.00 0.37 C ATOM 1595 CD PRO A 97 -14.257 11.333 8.218 1.00 0.35 C ATOM 0 HA PRO A 97 -14.077 8.221 7.400 1.00 0.33 H new ATOM 0 HB2 PRO A 97 -16.629 9.001 7.963 1.00 0.35 H new ATOM 0 HB3 PRO A 97 -15.418 8.914 9.227 1.00 0.35 H new ATOM 0 HG2 PRO A 97 -16.373 11.378 7.696 1.00 0.37 H new ATOM 0 HG3 PRO A 97 -16.075 11.220 9.415 1.00 0.37 H new ATOM 0 HD2 PRO A 97 -14.191 12.318 7.757 1.00 0.35 H new ATOM 0 HD3 PRO A 97 -13.721 11.388 9.165 1.00 0.35 H new ATOM 1603 N ALA A 98 -15.140 10.145 5.053 1.00 0.42 N ATOM 1604 CA ALA A 98 -15.497 10.127 3.645 1.00 0.45 C ATOM 1605 C ALA A 98 -14.477 9.361 2.796 1.00 0.43 C ATOM 1606 O ALA A 98 -14.828 8.880 1.720 1.00 0.50 O ATOM 1607 CB ALA A 98 -15.607 11.570 3.159 1.00 0.53 C ATOM 0 H ALA A 98 -14.893 11.070 5.405 1.00 0.42 H new ATOM 0 HA ALA A 98 -16.449 9.608 3.535 1.00 0.45 H new ATOM 0 HB1 ALA A 98 -15.875 11.579 2.102 1.00 0.53 H new ATOM 0 HB2 ALA A 98 -16.375 12.089 3.732 1.00 0.53 H new ATOM 0 HB3 ALA A 98 -14.650 12.074 3.295 1.00 0.53 H new ATOM 1613 N THR A 99 -13.217 9.281 3.240 1.00 0.39 N ATOM 1614 CA THR A 99 -12.189 8.566 2.500 1.00 0.38 C ATOM 1615 C THR A 99 -12.552 7.087 2.457 1.00 0.36 C ATOM 1616 O THR A 99 -13.319 6.611 3.297 1.00 0.44 O ATOM 1617 CB THR A 99 -10.802 8.827 3.125 1.00 0.40 C ATOM 1618 OG1 THR A 99 -9.836 8.929 2.107 1.00 0.55 O ATOM 1619 CG2 THR A 99 -10.306 7.749 4.095 1.00 0.37 C ATOM 0 H THR A 99 -12.892 9.705 4.109 1.00 0.39 H new ATOM 0 HA THR A 99 -12.135 8.926 1.473 1.00 0.38 H new ATOM 0 HB THR A 99 -10.930 9.747 3.695 1.00 0.40 H new ATOM 0 HG1 THR A 99 -10.214 9.416 1.345 1.00 0.55 H new ATOM 0 HG21 THR A 99 -9.324 8.028 4.478 1.00 0.37 H new ATOM 0 HG22 THR A 99 -11.006 7.657 4.925 1.00 0.37 H new ATOM 0 HG23 THR A 99 -10.235 6.795 3.573 1.00 0.37 H new ATOM 1627 N LYS A 100 -11.990 6.342 1.506 1.00 0.36 N ATOM 1628 CA LYS A 100 -12.164 4.902 1.463 1.00 0.31 C ATOM 1629 C LYS A 100 -10.844 4.254 1.095 1.00 0.31 C ATOM 1630 O LYS A 100 -9.823 4.912 0.896 1.00 0.32 O ATOM 1631 CB LYS A 100 -13.221 4.469 0.437 1.00 0.37 C ATOM 1632 CG LYS A 100 -14.567 5.197 0.496 1.00 1.46 C ATOM 1633 CD LYS A 100 -14.733 6.125 -0.710 1.00 1.84 C ATOM 1634 CE LYS A 100 -16.221 6.387 -0.939 1.00 2.37 C ATOM 1635 NZ LYS A 100 -16.546 6.303 -2.375 1.00 2.78 N ATOM 0 H LYS A 100 -11.410 6.719 0.756 1.00 0.36 H new ATOM 0 HA LYS A 100 -12.502 4.585 2.450 1.00 0.31 H new ATOM 0 HB2 LYS A 100 -12.804 4.604 -0.561 1.00 0.37 H new ATOM 0 HB3 LYS A 100 -13.404 3.402 0.565 1.00 0.37 H new ATOM 0 HG2 LYS A 100 -15.379 4.470 0.516 1.00 1.46 H new ATOM 0 HG3 LYS A 100 -14.634 5.775 1.418 1.00 1.46 H new ATOM 0 HD2 LYS A 100 -14.208 7.064 -0.536 1.00 1.84 H new ATOM 0 HD3 LYS A 100 -14.290 5.672 -1.597 1.00 1.84 H new ATOM 0 HE2 LYS A 100 -16.814 5.661 -0.383 1.00 2.37 H new ATOM 0 HE3 LYS A 100 -16.485 7.373 -0.557 1.00 2.37 H new ATOM 0 HZ1 LYS A 100 -17.375 6.897 -2.579 1.00 2.78 H new ATOM 0 HZ2 LYS A 100 -15.735 6.637 -2.935 1.00 2.78 H new ATOM 0 HZ3 LYS A 100 -16.757 5.316 -2.626 1.00 2.78 H new ATOM 1649 N THR A 101 -10.884 2.937 0.976 1.00 0.33 N ATOM 1650 CA THR A 101 -9.740 2.128 0.633 1.00 0.41 C ATOM 1651 C THR A 101 -9.236 2.413 -0.777 1.00 0.33 C ATOM 1652 O THR A 101 -8.100 2.062 -1.067 1.00 0.35 O ATOM 1653 CB THR A 101 -10.087 0.646 0.768 1.00 0.62 C ATOM 1654 OG1 THR A 101 -11.397 0.480 1.277 1.00 1.46 O ATOM 1655 CG2 THR A 101 -9.115 -0.050 1.714 1.00 0.91 C ATOM 0 H THR A 101 -11.735 2.394 1.120 1.00 0.33 H new ATOM 0 HA THR A 101 -8.940 2.386 1.328 1.00 0.41 H new ATOM 0 HB THR A 101 -10.019 0.205 -0.226 1.00 0.62 H new ATOM 0 HG1 THR A 101 -11.750 -0.390 0.995 1.00 1.46 H new ATOM 0 HG21 THR A 101 -9.379 -1.104 1.796 1.00 0.91 H new ATOM 0 HG22 THR A 101 -8.101 0.040 1.325 1.00 0.91 H new ATOM 0 HG23 THR A 101 -9.169 0.416 2.698 1.00 0.91 H new ATOM 1663 N ASP A 102 -10.025 3.035 -1.659 1.00 0.31 N ATOM 1664 CA ASP A 102 -9.503 3.467 -2.949 1.00 0.30 C ATOM 1665 C ASP A 102 -8.430 4.525 -2.715 1.00 0.21 C ATOM 1666 O ASP A 102 -7.335 4.436 -3.266 1.00 0.23 O ATOM 1667 CB ASP A 102 -10.619 3.955 -3.885 1.00 0.34 C ATOM 1668 CG ASP A 102 -11.165 5.328 -3.495 1.00 0.94 C ATOM 1669 OD1 ASP A 102 -11.461 5.488 -2.288 1.00 2.10 O ATOM 1670 OD2 ASP A 102 -11.231 6.208 -4.378 1.00 1.74 O ATOM 0 H ASP A 102 -11.011 3.246 -1.503 1.00 0.31 H new ATOM 0 HA ASP A 102 -9.050 2.617 -3.459 1.00 0.30 H new ATOM 0 HB2 ASP A 102 -10.238 3.998 -4.905 1.00 0.34 H new ATOM 0 HB3 ASP A 102 -11.434 3.231 -3.879 1.00 0.34 H new ATOM 1675 N GLN A 103 -8.706 5.480 -1.829 1.00 0.19 N ATOM 1676 CA GLN A 103 -7.760 6.509 -1.452 1.00 0.18 C ATOM 1677 C GLN A 103 -6.569 5.906 -0.727 1.00 0.18 C ATOM 1678 O GLN A 103 -5.453 6.410 -0.843 1.00 0.22 O ATOM 1679 CB GLN A 103 -8.449 7.606 -0.644 1.00 0.19 C ATOM 1680 CG GLN A 103 -9.665 8.111 -1.431 1.00 0.21 C ATOM 1681 CD GLN A 103 -9.966 9.567 -1.114 1.00 0.42 C ATOM 1682 OE1 GLN A 103 -10.832 9.892 -0.308 1.00 1.20 O ATOM 1683 NE2 GLN A 103 -9.214 10.481 -1.715 1.00 2.20 N ATOM 0 H GLN A 103 -9.604 5.555 -1.352 1.00 0.19 H new ATOM 0 HA GLN A 103 -7.372 6.980 -2.355 1.00 0.18 H new ATOM 0 HB2 GLN A 103 -8.761 7.220 0.326 1.00 0.19 H new ATOM 0 HB3 GLN A 103 -7.756 8.426 -0.453 1.00 0.19 H new ATOM 0 HG2 GLN A 103 -9.480 8.001 -2.500 1.00 0.21 H new ATOM 0 HG3 GLN A 103 -10.534 7.498 -1.193 1.00 0.21 H new ATOM 0 HE21 GLN A 103 -8.498 10.194 -2.383 1.00 2.20 H new ATOM 0 HE22 GLN A 103 -9.352 11.470 -1.509 1.00 2.20 H new ATOM 1692 N VAL A 104 -6.773 4.812 0.002 1.00 0.16 N ATOM 1693 CA VAL A 104 -5.659 4.181 0.677 1.00 0.15 C ATOM 1694 C VAL A 104 -4.719 3.543 -0.346 1.00 0.14 C ATOM 1695 O VAL A 104 -3.529 3.852 -0.381 1.00 0.15 O ATOM 1696 CB VAL A 104 -6.192 3.188 1.714 1.00 0.17 C ATOM 1697 CG1 VAL A 104 -5.029 2.454 2.354 1.00 0.16 C ATOM 1698 CG2 VAL A 104 -6.942 3.951 2.808 1.00 0.20 C ATOM 0 H VAL A 104 -7.677 4.359 0.135 1.00 0.16 H new ATOM 0 HA VAL A 104 -5.068 4.921 1.216 1.00 0.15 H new ATOM 0 HB VAL A 104 -6.859 2.480 1.223 1.00 0.17 H new ATOM 0 HG11 VAL A 104 -5.407 1.747 3.092 1.00 0.16 H new ATOM 0 HG12 VAL A 104 -4.473 1.915 1.587 1.00 0.16 H new ATOM 0 HG13 VAL A 104 -4.371 3.172 2.843 1.00 0.16 H new ATOM 0 HG21 VAL A 104 -7.322 3.246 3.547 1.00 0.20 H new ATOM 0 HG22 VAL A 104 -6.264 4.654 3.292 1.00 0.20 H new ATOM 0 HG23 VAL A 104 -7.775 4.497 2.365 1.00 0.20 H new ATOM 1708 N ILE A 105 -5.246 2.650 -1.181 1.00 0.13 N ATOM 1709 CA ILE A 105 -4.472 1.869 -2.133 1.00 0.13 C ATOM 1710 C ILE A 105 -3.771 2.797 -3.107 1.00 0.14 C ATOM 1711 O ILE A 105 -2.569 2.649 -3.331 1.00 0.16 O ATOM 1712 CB ILE A 105 -5.387 0.848 -2.835 1.00 0.13 C ATOM 1713 CG1 ILE A 105 -5.676 -0.330 -1.890 1.00 0.14 C ATOM 1714 CG2 ILE A 105 -4.817 0.324 -4.162 1.00 0.14 C ATOM 1715 CD1 ILE A 105 -4.419 -1.060 -1.395 1.00 0.15 C ATOM 0 H ILE A 105 -6.245 2.448 -1.212 1.00 0.13 H new ATOM 0 HA ILE A 105 -3.698 1.302 -1.616 1.00 0.13 H new ATOM 0 HB ILE A 105 -6.309 1.375 -3.080 1.00 0.13 H new ATOM 0 HG12 ILE A 105 -6.233 0.038 -1.028 1.00 0.14 H new ATOM 0 HG13 ILE A 105 -6.319 -1.044 -2.404 1.00 0.14 H new ATOM 0 HG21 ILE A 105 -5.514 -0.390 -4.600 1.00 0.14 H new ATOM 0 HG22 ILE A 105 -4.671 1.157 -4.849 1.00 0.14 H new ATOM 0 HG23 ILE A 105 -3.861 -0.167 -3.979 1.00 0.14 H new ATOM 0 HD11 ILE A 105 -4.709 -1.877 -0.734 1.00 0.15 H new ATOM 0 HD12 ILE A 105 -3.871 -1.461 -2.248 1.00 0.15 H new ATOM 0 HD13 ILE A 105 -3.783 -0.362 -0.851 1.00 0.15 H new ATOM 1727 N GLN A 106 -4.506 3.762 -3.669 1.00 0.14 N ATOM 1728 CA GLN A 106 -3.900 4.736 -4.565 1.00 0.16 C ATOM 1729 C GLN A 106 -2.732 5.419 -3.867 1.00 0.15 C ATOM 1730 O GLN A 106 -1.751 5.715 -4.527 1.00 0.19 O ATOM 1731 CB GLN A 106 -4.897 5.761 -5.142 1.00 0.28 C ATOM 1732 CG GLN A 106 -5.152 6.957 -4.210 1.00 0.74 C ATOM 1733 CD GLN A 106 -6.064 8.024 -4.811 1.00 1.71 C ATOM 1734 OE1 GLN A 106 -7.110 8.357 -4.266 1.00 3.19 O ATOM 1735 NE2 GLN A 106 -5.649 8.633 -5.914 1.00 2.81 N ATOM 0 H GLN A 106 -5.507 3.884 -3.519 1.00 0.14 H new ATOM 0 HA GLN A 106 -3.534 4.186 -5.432 1.00 0.16 H new ATOM 0 HB2 GLN A 106 -4.518 6.128 -6.096 1.00 0.28 H new ATOM 0 HB3 GLN A 106 -5.844 5.261 -5.346 1.00 0.28 H new ATOM 0 HG2 GLN A 106 -5.595 6.595 -3.282 1.00 0.74 H new ATOM 0 HG3 GLN A 106 -4.197 7.413 -3.950 1.00 0.74 H new ATOM 0 HE21 GLN A 106 -4.776 8.346 -6.358 1.00 2.81 H new ATOM 0 HE22 GLN A 106 -6.202 9.388 -6.319 1.00 2.81 H new ATOM 1744 N SER A 107 -2.822 5.682 -2.558 1.00 0.14 N ATOM 1745 CA SER A 107 -1.728 6.261 -1.805 1.00 0.14 C ATOM 1746 C SER A 107 -0.528 5.330 -1.831 1.00 0.13 C ATOM 1747 O SER A 107 0.556 5.784 -2.172 1.00 0.15 O ATOM 1748 CB SER A 107 -2.128 6.557 -0.359 1.00 0.17 C ATOM 1749 OG SER A 107 -1.396 7.664 0.135 1.00 0.41 O ATOM 0 H SER A 107 -3.657 5.496 -2.002 1.00 0.14 H new ATOM 0 HA SER A 107 -1.466 7.208 -2.277 1.00 0.14 H new ATOM 0 HB2 SER A 107 -3.197 6.765 -0.305 1.00 0.17 H new ATOM 0 HB3 SER A 107 -1.942 5.682 0.264 1.00 0.17 H new ATOM 0 HG SER A 107 -1.273 7.569 1.103 1.00 0.41 H new ATOM 1755 N LEU A 108 -0.665 4.054 -1.449 1.00 0.12 N ATOM 1756 CA LEU A 108 0.518 3.202 -1.413 1.00 0.13 C ATOM 1757 C LEU A 108 1.176 3.172 -2.771 1.00 0.14 C ATOM 1758 O LEU A 108 2.377 3.354 -2.852 1.00 0.15 O ATOM 1759 CB LEU A 108 0.235 1.753 -1.030 1.00 0.13 C ATOM 1760 CG LEU A 108 -0.109 1.494 0.437 1.00 0.14 C ATOM 1761 CD1 LEU A 108 0.477 2.525 1.401 1.00 0.12 C ATOM 1762 CD2 LEU A 108 -1.608 1.337 0.632 1.00 0.22 C ATOM 0 H LEU A 108 -1.541 3.610 -1.174 1.00 0.12 H new ATOM 0 HA LEU A 108 1.156 3.641 -0.646 1.00 0.13 H new ATOM 0 HB2 LEU A 108 -0.590 1.392 -1.644 1.00 0.13 H new ATOM 0 HB3 LEU A 108 1.109 1.154 -1.287 1.00 0.13 H new ATOM 0 HG LEU A 108 0.373 0.550 0.692 1.00 0.14 H new ATOM 0 HD11 LEU A 108 0.189 2.273 2.422 1.00 0.12 H new ATOM 0 HD12 LEU A 108 1.564 2.523 1.319 1.00 0.12 H new ATOM 0 HD13 LEU A 108 0.096 3.515 1.150 1.00 0.12 H new ATOM 0 HD21 LEU A 108 -1.821 1.154 1.685 1.00 0.22 H new ATOM 0 HD22 LEU A 108 -2.114 2.248 0.313 1.00 0.22 H new ATOM 0 HD23 LEU A 108 -1.966 0.496 0.038 1.00 0.22 H new ATOM 1774 N ILE A 109 0.422 2.930 -3.835 1.00 0.16 N ATOM 1775 CA ILE A 109 1.004 2.889 -5.166 1.00 0.17 C ATOM 1776 C ILE A 109 1.685 4.222 -5.438 1.00 0.18 C ATOM 1777 O ILE A 109 2.851 4.250 -5.811 1.00 0.25 O ATOM 1778 CB ILE A 109 -0.089 2.552 -6.182 1.00 0.20 C ATOM 1779 CG1 ILE A 109 -0.525 1.103 -5.924 1.00 0.18 C ATOM 1780 CG2 ILE A 109 0.389 2.683 -7.634 1.00 0.23 C ATOM 1781 CD1 ILE A 109 -1.987 0.909 -6.291 1.00 0.19 C ATOM 0 H ILE A 109 -0.583 2.761 -3.802 1.00 0.16 H new ATOM 0 HA ILE A 109 1.763 2.111 -5.249 1.00 0.17 H new ATOM 0 HB ILE A 109 -0.910 3.258 -6.056 1.00 0.20 H new ATOM 0 HG12 ILE A 109 0.095 0.422 -6.507 1.00 0.18 H new ATOM 0 HG13 ILE A 109 -0.372 0.853 -4.874 1.00 0.18 H new ATOM 0 HG21 ILE A 109 -0.428 2.432 -8.310 1.00 0.23 H new ATOM 0 HG22 ILE A 109 0.712 3.707 -7.820 1.00 0.23 H new ATOM 0 HG23 ILE A 109 1.224 2.003 -7.805 1.00 0.23 H new ATOM 0 HD11 ILE A 109 -2.276 -0.125 -6.101 1.00 0.19 H new ATOM 0 HD12 ILE A 109 -2.605 1.575 -5.689 1.00 0.19 H new ATOM 0 HD13 ILE A 109 -2.130 1.137 -7.347 1.00 0.19 H new ATOM 1793 N ALA A 110 0.978 5.321 -5.215 1.00 0.19 N ATOM 1794 CA ALA A 110 1.447 6.669 -5.475 1.00 0.19 C ATOM 1795 C ALA A 110 2.776 6.941 -4.779 1.00 0.17 C ATOM 1796 O ALA A 110 3.608 7.632 -5.337 1.00 0.18 O ATOM 1797 CB ALA A 110 0.378 7.683 -5.052 1.00 0.22 C ATOM 0 H ALA A 110 0.032 5.295 -4.836 1.00 0.19 H new ATOM 0 HA ALA A 110 1.622 6.774 -6.546 1.00 0.19 H new ATOM 0 HB1 ALA A 110 0.736 8.693 -5.250 1.00 0.22 H new ATOM 0 HB2 ALA A 110 -0.536 7.505 -5.618 1.00 0.22 H new ATOM 0 HB3 ALA A 110 0.173 7.573 -3.987 1.00 0.22 H new ATOM 1803 N LEU A 111 2.992 6.414 -3.577 1.00 0.16 N ATOM 1804 CA LEU A 111 4.190 6.663 -2.784 1.00 0.15 C ATOM 1805 C LEU A 111 5.311 5.666 -3.092 1.00 0.18 C ATOM 1806 O LEU A 111 6.491 6.006 -3.080 1.00 0.32 O ATOM 1807 CB LEU A 111 3.798 6.599 -1.300 1.00 0.14 C ATOM 1808 CG LEU A 111 3.277 7.909 -0.671 1.00 0.15 C ATOM 1809 CD1 LEU A 111 3.638 9.195 -1.413 1.00 0.35 C ATOM 1810 CD2 LEU A 111 1.760 7.887 -0.505 1.00 0.24 C ATOM 0 H LEU A 111 2.327 5.791 -3.119 1.00 0.16 H new ATOM 0 HA LEU A 111 4.583 7.648 -3.036 1.00 0.15 H new ATOM 0 HB2 LEU A 111 3.030 5.834 -1.182 1.00 0.14 H new ATOM 0 HB3 LEU A 111 4.667 6.269 -0.731 1.00 0.14 H new ATOM 0 HG LEU A 111 3.792 7.935 0.290 1.00 0.15 H new ATOM 0 HD11 LEU A 111 3.221 10.051 -0.882 1.00 0.35 H new ATOM 0 HD12 LEU A 111 4.722 9.293 -1.464 1.00 0.35 H new ATOM 0 HD13 LEU A 111 3.229 9.160 -2.423 1.00 0.35 H new ATOM 0 HD21 LEU A 111 1.429 8.825 -0.059 1.00 0.24 H new ATOM 0 HD22 LEU A 111 1.289 7.762 -1.480 1.00 0.24 H new ATOM 0 HD23 LEU A 111 1.477 7.058 0.143 1.00 0.24 H new ATOM 1822 N VAL A 112 4.968 4.403 -3.314 1.00 0.21 N ATOM 1823 CA VAL A 112 5.905 3.340 -3.654 1.00 0.21 C ATOM 1824 C VAL A 112 6.497 3.651 -5.036 1.00 0.24 C ATOM 1825 O VAL A 112 7.647 3.318 -5.317 1.00 0.30 O ATOM 1826 CB VAL A 112 5.159 1.988 -3.586 1.00 0.21 C ATOM 1827 CG1 VAL A 112 6.020 0.784 -3.967 1.00 0.32 C ATOM 1828 CG2 VAL A 112 4.673 1.676 -2.159 1.00 0.18 C ATOM 0 H VAL A 112 4.002 4.081 -3.261 1.00 0.21 H new ATOM 0 HA VAL A 112 6.737 3.276 -2.953 1.00 0.21 H new ATOM 0 HB VAL A 112 4.342 2.118 -4.295 1.00 0.21 H new ATOM 0 HG11 VAL A 112 5.425 -0.126 -3.894 1.00 0.32 H new ATOM 0 HG12 VAL A 112 6.379 0.902 -4.989 1.00 0.32 H new ATOM 0 HG13 VAL A 112 6.871 0.716 -3.289 1.00 0.32 H new ATOM 0 HG21 VAL A 112 4.154 0.718 -2.153 1.00 0.18 H new ATOM 0 HG22 VAL A 112 5.529 1.629 -1.485 1.00 0.18 H new ATOM 0 HG23 VAL A 112 3.992 2.460 -1.827 1.00 0.18 H new ATOM 1838 N ASN A 113 5.715 4.303 -5.897 1.00 0.25 N ATOM 1839 CA ASN A 113 6.120 4.697 -7.234 1.00 0.26 C ATOM 1840 C ASN A 113 6.718 6.095 -7.234 1.00 0.33 C ATOM 1841 O ASN A 113 7.756 6.307 -7.853 1.00 0.50 O ATOM 1842 CB ASN A 113 4.925 4.627 -8.189 1.00 0.39 C ATOM 1843 CG ASN A 113 4.634 3.180 -8.545 1.00 1.30 C ATOM 1844 OD1 ASN A 113 5.068 2.714 -9.583 1.00 1.96 O ATOM 1845 ND2 ASN A 113 3.968 2.424 -7.687 1.00 2.21 N ATOM 0 H ASN A 113 4.758 4.576 -5.672 1.00 0.25 H new ATOM 0 HA ASN A 113 6.888 4.003 -7.577 1.00 0.26 H new ATOM 0 HB2 ASN A 113 4.049 5.080 -7.724 1.00 0.39 H new ATOM 0 HB3 ASN A 113 5.137 5.198 -9.093 1.00 0.39 H new ATOM 0 HD21 ASN A 113 3.812 1.437 -7.891 1.00 2.21 H new ATOM 0 HD22 ASN A 113 3.610 2.828 -6.822 1.00 2.21 H new ATOM 1852 N ASP A 114 6.066 7.036 -6.554 1.00 0.31 N ATOM 1853 CA ASP A 114 6.438 8.447 -6.532 1.00 0.49 C ATOM 1854 C ASP A 114 6.661 8.870 -5.073 1.00 0.41 C ATOM 1855 O ASP A 114 5.824 9.519 -4.442 1.00 0.34 O ATOM 1856 CB ASP A 114 5.377 9.279 -7.273 1.00 0.64 C ATOM 1857 CG ASP A 114 5.975 10.552 -7.865 1.00 0.99 C ATOM 1858 OD1 ASP A 114 7.039 10.981 -7.366 1.00 1.11 O ATOM 1859 OD2 ASP A 114 5.377 11.058 -8.840 1.00 1.63 O ATOM 0 H ASP A 114 5.242 6.831 -5.988 1.00 0.31 H new ATOM 0 HA ASP A 114 7.374 8.623 -7.063 1.00 0.49 H new ATOM 0 HB2 ASP A 114 4.934 8.680 -8.069 1.00 0.64 H new ATOM 0 HB3 ASP A 114 4.573 9.540 -6.585 1.00 0.64 H new ATOM 1864 N PRO A 115 7.776 8.422 -4.476 1.00 0.44 N ATOM 1865 CA PRO A 115 8.061 8.627 -3.067 1.00 0.40 C ATOM 1866 C PRO A 115 8.367 10.094 -2.794 1.00 0.42 C ATOM 1867 O PRO A 115 8.951 10.777 -3.632 1.00 0.58 O ATOM 1868 CB PRO A 115 9.277 7.743 -2.768 1.00 0.53 C ATOM 1869 CG PRO A 115 9.976 7.634 -4.122 1.00 0.66 C ATOM 1870 CD PRO A 115 8.806 7.609 -5.096 1.00 0.57 C ATOM 0 HA PRO A 115 7.213 8.366 -2.434 1.00 0.40 H new ATOM 0 HB2 PRO A 115 9.925 8.192 -2.016 1.00 0.53 H new ATOM 0 HB3 PRO A 115 8.980 6.765 -2.389 1.00 0.53 H new ATOM 0 HG2 PRO A 115 10.639 8.480 -4.306 1.00 0.66 H new ATOM 0 HG3 PRO A 115 10.583 6.732 -4.194 1.00 0.66 H new ATOM 0 HD2 PRO A 115 9.094 8.012 -6.067 1.00 0.57 H new ATOM 0 HD3 PRO A 115 8.456 6.591 -5.264 1.00 0.57 H new ATOM 1878 N GLN A 116 8.039 10.565 -1.590 1.00 0.36 N ATOM 1879 CA GLN A 116 8.256 11.956 -1.224 1.00 0.42 C ATOM 1880 C GLN A 116 9.355 12.046 -0.166 1.00 0.42 C ATOM 1881 O GLN A 116 9.060 11.970 1.026 1.00 0.47 O ATOM 1882 CB GLN A 116 6.935 12.582 -0.757 1.00 0.50 C ATOM 1883 CG GLN A 116 5.905 12.532 -1.894 1.00 2.04 C ATOM 1884 CD GLN A 116 4.641 13.327 -1.576 1.00 2.21 C ATOM 1885 OE1 GLN A 116 4.668 14.311 -0.847 1.00 2.10 O ATOM 1886 NE2 GLN A 116 3.502 12.917 -2.120 1.00 3.30 N ATOM 0 H GLN A 116 7.621 9.997 -0.853 1.00 0.36 H new ATOM 0 HA GLN A 116 8.594 12.525 -2.090 1.00 0.42 H new ATOM 0 HB2 GLN A 116 6.556 12.046 0.113 1.00 0.50 H new ATOM 0 HB3 GLN A 116 7.100 13.614 -0.449 1.00 0.50 H new ATOM 0 HG2 GLN A 116 6.356 12.923 -2.806 1.00 2.04 H new ATOM 0 HG3 GLN A 116 5.637 11.494 -2.091 1.00 2.04 H new ATOM 0 HE21 GLN A 116 3.492 12.096 -2.725 1.00 3.30 H new ATOM 0 HE22 GLN A 116 2.636 13.423 -1.933 1.00 3.30 H new ATOM 1895 N PRO A 117 10.625 12.221 -0.569 1.00 0.50 N ATOM 1896 CA PRO A 117 11.743 12.399 0.346 1.00 0.56 C ATOM 1897 C PRO A 117 11.828 13.847 0.831 1.00 0.93 C ATOM 1898 O PRO A 117 12.858 14.501 0.718 1.00 1.82 O ATOM 1899 CB PRO A 117 12.971 11.981 -0.460 1.00 0.76 C ATOM 1900 CG PRO A 117 12.611 12.447 -1.870 1.00 0.93 C ATOM 1901 CD PRO A 117 11.111 12.158 -1.940 1.00 0.67 C ATOM 0 HA PRO A 117 11.644 11.803 1.254 1.00 0.56 H new ATOM 0 HB2 PRO A 117 13.880 12.459 -0.094 1.00 0.76 H new ATOM 0 HB3 PRO A 117 13.138 10.905 -0.418 1.00 0.76 H new ATOM 0 HG2 PRO A 117 12.828 13.505 -2.016 1.00 0.93 H new ATOM 0 HG3 PRO A 117 13.166 11.900 -2.632 1.00 0.93 H new ATOM 0 HD2 PRO A 117 10.602 12.889 -2.568 1.00 0.67 H new ATOM 0 HD3 PRO A 117 10.923 11.177 -2.376 1.00 0.67 H new ATOM 1909 N GLU A 118 10.724 14.332 1.386 1.00 0.58 N ATOM 1910 CA GLU A 118 10.594 15.615 2.047 1.00 0.72 C ATOM 1911 C GLU A 118 10.355 15.315 3.524 1.00 0.59 C ATOM 1912 O GLU A 118 11.202 15.573 4.373 1.00 0.83 O ATOM 1913 CB GLU A 118 9.418 16.368 1.411 1.00 0.85 C ATOM 1914 CG GLU A 118 9.862 17.289 0.273 1.00 2.61 C ATOM 1915 CD GLU A 118 10.563 18.535 0.817 1.00 3.86 C ATOM 1916 OE1 GLU A 118 9.840 19.497 1.157 1.00 4.09 O ATOM 1917 OE2 GLU A 118 11.809 18.500 0.905 1.00 5.43 O ATOM 0 H GLU A 118 9.849 13.807 1.384 1.00 0.58 H new ATOM 0 HA GLU A 118 11.479 16.243 1.944 1.00 0.72 H new ATOM 0 HB2 GLU A 118 8.693 15.649 1.031 1.00 0.85 H new ATOM 0 HB3 GLU A 118 8.912 16.958 2.175 1.00 0.85 H new ATOM 0 HG2 GLU A 118 10.536 16.750 -0.394 1.00 2.61 H new ATOM 0 HG3 GLU A 118 8.996 17.584 -0.319 1.00 2.61 H new ATOM 1924 N HIS A 119 9.202 14.713 3.825 1.00 0.45 N ATOM 1925 CA HIS A 119 8.831 14.354 5.189 1.00 0.45 C ATOM 1926 C HIS A 119 8.023 13.047 5.199 1.00 0.52 C ATOM 1927 O HIS A 119 6.818 13.053 5.451 1.00 0.76 O ATOM 1928 CB HIS A 119 8.078 15.536 5.821 1.00 0.65 C ATOM 1929 CG HIS A 119 7.060 16.156 4.895 1.00 1.20 C ATOM 1930 ND1 HIS A 119 5.997 15.499 4.318 1.00 2.35 N ATOM 1931 CD2 HIS A 119 7.095 17.424 4.381 1.00 1.80 C ATOM 1932 CE1 HIS A 119 5.403 16.357 3.472 1.00 2.73 C ATOM 1933 NE2 HIS A 119 6.029 17.544 3.485 1.00 2.29 N ATOM 0 H HIS A 119 8.502 14.462 3.127 1.00 0.45 H new ATOM 0 HA HIS A 119 9.718 14.162 5.792 1.00 0.45 H new ATOM 0 HB2 HIS A 119 7.576 15.196 6.727 1.00 0.65 H new ATOM 0 HB3 HIS A 119 8.797 16.298 6.122 1.00 0.65 H new ATOM 0 HD1 HIS A 119 5.712 14.537 4.500 1.00 2.35 H new ATOM 0 HD2 HIS A 119 7.815 18.192 4.623 1.00 1.80 H new ATOM 0 HE1 HIS A 119 4.541 16.124 2.865 1.00 2.73 H new ATOM 1941 N PRO A 120 8.672 11.918 4.889 1.00 0.34 N ATOM 1942 CA PRO A 120 8.078 10.590 4.934 1.00 0.34 C ATOM 1943 C PRO A 120 8.269 9.953 6.323 1.00 0.40 C ATOM 1944 O PRO A 120 8.691 10.627 7.259 1.00 0.57 O ATOM 1945 CB PRO A 120 8.844 9.840 3.848 1.00 0.26 C ATOM 1946 CG PRO A 120 10.254 10.393 4.004 1.00 0.22 C ATOM 1947 CD PRO A 120 10.016 11.858 4.342 1.00 0.24 C ATOM 0 HA PRO A 120 7.001 10.582 4.768 1.00 0.34 H new ATOM 0 HB2 PRO A 120 8.811 8.761 3.999 1.00 0.26 H new ATOM 0 HB3 PRO A 120 8.438 10.035 2.855 1.00 0.26 H new ATOM 0 HG2 PRO A 120 10.802 9.881 4.795 1.00 0.22 H new ATOM 0 HG3 PRO A 120 10.835 10.280 3.089 1.00 0.22 H new ATOM 0 HD2 PRO A 120 10.749 12.218 5.063 1.00 0.24 H new ATOM 0 HD3 PRO A 120 10.107 12.485 3.455 1.00 0.24 H new ATOM 1955 N LEU A 121 7.972 8.652 6.465 1.00 0.33 N ATOM 1956 CA LEU A 121 8.107 7.912 7.722 1.00 0.36 C ATOM 1957 C LEU A 121 9.569 7.869 8.145 1.00 0.45 C ATOM 1958 O LEU A 121 9.946 8.378 9.197 1.00 0.68 O ATOM 1959 CB LEU A 121 7.554 6.477 7.572 1.00 0.31 C ATOM 1960 CG LEU A 121 6.384 6.223 8.522 1.00 0.30 C ATOM 1961 CD1 LEU A 121 5.617 4.972 8.096 1.00 0.54 C ATOM 1962 CD2 LEU A 121 6.842 6.050 9.969 1.00 0.56 C ATOM 0 H LEU A 121 7.626 8.079 5.695 1.00 0.33 H new ATOM 0 HA LEU A 121 7.528 8.425 8.490 1.00 0.36 H new ATOM 0 HB2 LEU A 121 7.230 6.317 6.544 1.00 0.31 H new ATOM 0 HB3 LEU A 121 8.348 5.758 7.771 1.00 0.31 H new ATOM 0 HG LEU A 121 5.739 7.100 8.468 1.00 0.30 H new ATOM 0 HD11 LEU A 121 4.787 4.803 8.782 1.00 0.54 H new ATOM 0 HD12 LEU A 121 5.232 5.108 7.086 1.00 0.54 H new ATOM 0 HD13 LEU A 121 6.285 4.111 8.117 1.00 0.54 H new ATOM 0 HD21 LEU A 121 5.976 5.872 10.606 1.00 0.56 H new ATOM 0 HD22 LEU A 121 7.522 5.201 10.036 1.00 0.56 H new ATOM 0 HD23 LEU A 121 7.355 6.953 10.299 1.00 0.56 H new ATOM 1974 N ARG A 122 10.403 7.243 7.316 1.00 0.32 N ATOM 1975 CA ARG A 122 11.835 7.220 7.528 1.00 0.39 C ATOM 1976 C ARG A 122 12.447 8.218 6.563 1.00 0.41 C ATOM 1977 O ARG A 122 12.709 7.878 5.411 1.00 0.43 O ATOM 1978 CB ARG A 122 12.387 5.808 7.291 1.00 0.42 C ATOM 1979 CG ARG A 122 12.056 4.833 8.432 1.00 0.41 C ATOM 1980 CD ARG A 122 13.242 3.914 8.773 1.00 0.44 C ATOM 1981 NE ARG A 122 14.404 4.657 9.287 1.00 0.89 N ATOM 1982 CZ ARG A 122 14.494 5.271 10.469 1.00 1.27 C ATOM 1983 NH1 ARG A 122 15.598 5.957 10.757 1.00 1.68 N ATOM 1984 NH2 ARG A 122 13.486 5.201 11.343 1.00 2.22 N ATOM 0 H ARG A 122 10.098 6.741 6.482 1.00 0.32 H new ATOM 0 HA ARG A 122 12.083 7.490 8.555 1.00 0.39 H new ATOM 0 HB2 ARG A 122 11.981 5.417 6.358 1.00 0.42 H new ATOM 0 HB3 ARG A 122 13.469 5.863 7.170 1.00 0.42 H new ATOM 0 HG2 ARG A 122 11.770 5.398 9.319 1.00 0.41 H new ATOM 0 HG3 ARG A 122 11.196 4.225 8.150 1.00 0.41 H new ATOM 0 HD2 ARG A 122 12.927 3.181 9.515 1.00 0.44 H new ATOM 0 HD3 ARG A 122 13.535 3.359 7.882 1.00 0.44 H new ATOM 0 HE ARG A 122 15.222 4.708 8.680 1.00 0.89 H new ATOM 0 HH11 ARG A 122 16.358 6.007 10.079 1.00 1.68 H new ATOM 0 HH12 ARG A 122 15.683 6.432 11.656 1.00 1.68 H new ATOM 0 HH21 ARG A 122 12.643 4.677 11.108 1.00 2.22 H new ATOM 0 HH22 ARG A 122 13.559 5.672 12.245 1.00 2.22 H new ATOM 1998 N ALA A 123 12.704 9.441 7.035 1.00 0.42 N ATOM 1999 CA ALA A 123 13.418 10.434 6.242 1.00 0.41 C ATOM 2000 C ALA A 123 14.725 9.842 5.729 1.00 0.42 C ATOM 2001 O ALA A 123 15.074 10.049 4.582 1.00 0.39 O ATOM 2002 CB ALA A 123 13.709 11.688 7.069 1.00 0.43 C ATOM 0 H ALA A 123 12.427 9.763 7.962 1.00 0.42 H new ATOM 0 HA ALA A 123 12.788 10.716 5.398 1.00 0.41 H new ATOM 0 HB1 ALA A 123 14.242 12.413 6.455 1.00 0.43 H new ATOM 0 HB2 ALA A 123 12.771 12.123 7.412 1.00 0.43 H new ATOM 0 HB3 ALA A 123 14.322 11.422 7.930 1.00 0.43 H new ATOM 2008 N ASP A 124 15.406 9.079 6.578 1.00 0.51 N ATOM 2009 CA ASP A 124 16.613 8.294 6.336 1.00 0.53 C ATOM 2010 C ASP A 124 16.539 7.453 5.051 1.00 0.51 C ATOM 2011 O ASP A 124 17.296 7.712 4.117 1.00 0.51 O ATOM 2012 CB ASP A 124 16.820 7.504 7.638 1.00 0.86 C ATOM 2013 CG ASP A 124 17.497 6.148 7.543 1.00 1.31 C ATOM 2014 OD1 ASP A 124 18.426 5.989 6.729 1.00 2.36 O ATOM 2015 OD2 ASP A 124 17.046 5.300 8.351 1.00 2.60 O ATOM 0 H ASP A 124 15.097 8.986 7.546 1.00 0.51 H new ATOM 0 HA ASP A 124 17.486 8.912 6.127 1.00 0.53 H new ATOM 0 HB2 ASP A 124 17.406 8.124 8.317 1.00 0.86 H new ATOM 0 HB3 ASP A 124 15.844 7.359 8.101 1.00 0.86 H new ATOM 2020 N LEU A 125 15.591 6.516 4.923 1.00 0.50 N ATOM 2021 CA LEU A 125 15.362 5.828 3.655 1.00 0.51 C ATOM 2022 C LEU A 125 15.216 6.825 2.497 1.00 0.48 C ATOM 2023 O LEU A 125 15.678 6.574 1.389 1.00 0.54 O ATOM 2024 CB LEU A 125 14.125 4.922 3.787 1.00 0.54 C ATOM 2025 CG LEU A 125 14.340 3.710 4.705 1.00 0.70 C ATOM 2026 CD1 LEU A 125 13.037 2.918 4.838 1.00 1.50 C ATOM 2027 CD2 LEU A 125 15.426 2.794 4.151 1.00 1.10 C ATOM 0 H LEU A 125 14.975 6.221 5.681 1.00 0.50 H new ATOM 0 HA LEU A 125 16.228 5.208 3.422 1.00 0.51 H new ATOM 0 HB2 LEU A 125 13.293 5.513 4.170 1.00 0.54 H new ATOM 0 HB3 LEU A 125 13.837 4.569 2.797 1.00 0.54 H new ATOM 0 HG LEU A 125 14.652 4.078 5.682 1.00 0.70 H new ATOM 0 HD11 LEU A 125 13.198 2.060 5.491 1.00 1.50 H new ATOM 0 HD12 LEU A 125 12.264 3.558 5.264 1.00 1.50 H new ATOM 0 HD13 LEU A 125 12.720 2.571 3.854 1.00 1.50 H new ATOM 0 HD21 LEU A 125 15.560 1.943 4.819 1.00 1.10 H new ATOM 0 HD22 LEU A 125 15.133 2.438 3.164 1.00 1.10 H new ATOM 0 HD23 LEU A 125 16.363 3.346 4.074 1.00 1.10 H new ATOM 2039 N ALA A 126 14.586 7.974 2.736 1.00 0.40 N ATOM 2040 CA ALA A 126 14.384 8.995 1.722 1.00 0.32 C ATOM 2041 C ALA A 126 15.682 9.728 1.392 1.00 0.30 C ATOM 2042 O ALA A 126 15.855 10.189 0.267 1.00 0.31 O ATOM 2043 CB ALA A 126 13.298 9.972 2.176 1.00 0.26 C ATOM 0 H ALA A 126 14.200 8.220 3.648 1.00 0.40 H new ATOM 0 HA ALA A 126 14.055 8.505 0.805 1.00 0.32 H new ATOM 0 HB1 ALA A 126 13.152 10.735 1.411 1.00 0.26 H new ATOM 0 HB2 ALA A 126 12.365 9.431 2.332 1.00 0.26 H new ATOM 0 HB3 ALA A 126 13.603 10.447 3.108 1.00 0.26 H new ATOM 2049 N GLU A 127 16.599 9.843 2.347 1.00 0.35 N ATOM 2050 CA GLU A 127 17.889 10.464 2.147 1.00 0.33 C ATOM 2051 C GLU A 127 18.662 9.651 1.151 1.00 0.31 C ATOM 2052 O GLU A 127 19.155 10.203 0.177 1.00 0.36 O ATOM 2053 CB GLU A 127 18.716 10.575 3.425 1.00 0.33 C ATOM 2054 CG GLU A 127 18.070 11.581 4.356 1.00 0.46 C ATOM 2055 CD GLU A 127 19.123 12.259 5.237 1.00 0.97 C ATOM 2056 OE1 GLU A 127 19.013 12.122 6.475 1.00 2.32 O ATOM 2057 OE2 GLU A 127 20.038 12.893 4.655 1.00 1.86 O ATOM 0 H GLU A 127 16.457 9.499 3.297 1.00 0.35 H new ATOM 0 HA GLU A 127 17.703 11.479 1.795 1.00 0.33 H new ATOM 0 HB2 GLU A 127 18.784 9.603 3.913 1.00 0.33 H new ATOM 0 HB3 GLU A 127 19.734 10.884 3.187 1.00 0.33 H new ATOM 0 HG2 GLU A 127 17.537 12.333 3.774 1.00 0.46 H new ATOM 0 HG3 GLU A 127 17.331 11.081 4.983 1.00 0.46 H new ATOM 2064 N GLU A 128 18.750 8.340 1.368 1.00 0.30 N ATOM 2065 CA GLU A 128 19.451 7.480 0.429 1.00 0.32 C ATOM 2066 C GLU A 128 18.835 7.628 -0.959 1.00 0.34 C ATOM 2067 O GLU A 128 19.550 7.624 -1.958 1.00 0.35 O ATOM 2068 CB GLU A 128 19.438 6.032 0.923 1.00 0.37 C ATOM 2069 CG GLU A 128 20.332 5.181 0.010 1.00 0.56 C ATOM 2070 CD GLU A 128 20.529 3.755 0.519 1.00 1.38 C ATOM 2071 OE1 GLU A 128 19.530 3.174 0.997 1.00 2.48 O ATOM 2072 OE2 GLU A 128 21.676 3.267 0.395 1.00 1.97 O ATOM 0 H GLU A 128 18.350 7.860 2.174 1.00 0.30 H new ATOM 0 HA GLU A 128 20.496 7.781 0.360 1.00 0.32 H new ATOM 0 HB2 GLU A 128 19.796 5.982 1.951 1.00 0.37 H new ATOM 0 HB3 GLU A 128 18.420 5.643 0.921 1.00 0.37 H new ATOM 0 HG2 GLU A 128 19.893 5.146 -0.987 1.00 0.56 H new ATOM 0 HG3 GLU A 128 21.305 5.663 -0.086 1.00 0.56 H new ATOM 2079 N TYR A 129 17.518 7.828 -1.042 1.00 0.37 N ATOM 2080 CA TYR A 129 16.881 7.977 -2.347 1.00 0.36 C ATOM 2081 C TYR A 129 17.298 9.310 -2.967 1.00 0.37 C ATOM 2082 O TYR A 129 17.498 9.410 -4.176 1.00 0.50 O ATOM 2083 CB TYR A 129 15.347 7.945 -2.234 1.00 0.40 C ATOM 2084 CG TYR A 129 14.682 6.598 -2.008 1.00 1.85 C ATOM 2085 CD1 TYR A 129 15.312 5.579 -1.271 1.00 3.77 C ATOM 2086 CD2 TYR A 129 13.391 6.380 -2.527 1.00 2.73 C ATOM 2087 CE1 TYR A 129 14.668 4.353 -1.053 1.00 5.58 C ATOM 2088 CE2 TYR A 129 12.745 5.148 -2.331 1.00 4.41 C ATOM 2089 CZ TYR A 129 13.386 4.129 -1.597 1.00 5.69 C ATOM 2090 OH TYR A 129 12.782 2.922 -1.446 1.00 7.52 O ATOM 0 H TYR A 129 16.888 7.889 -0.242 1.00 0.37 H new ATOM 0 HA TYR A 129 17.201 7.143 -2.972 1.00 0.36 H new ATOM 0 HB2 TYR A 129 15.058 8.603 -1.415 1.00 0.40 H new ATOM 0 HB3 TYR A 129 14.935 8.373 -3.148 1.00 0.40 H new ATOM 0 HD1 TYR A 129 16.301 5.743 -0.869 1.00 3.77 H new ATOM 0 HD2 TYR A 129 12.895 7.165 -3.079 1.00 2.73 H new ATOM 0 HE1 TYR A 129 15.152 3.583 -0.471 1.00 5.58 H new ATOM 0 HE2 TYR A 129 11.760 4.982 -2.741 1.00 4.41 H new ATOM 0 HH TYR A 129 12.800 2.438 -2.298 1.00 7.52 H new ATOM 2100 N SER A 130 17.353 10.371 -2.167 1.00 0.40 N ATOM 2101 CA SER A 130 17.558 11.721 -2.658 1.00 0.48 C ATOM 2102 C SER A 130 19.040 12.027 -2.864 1.00 0.66 C ATOM 2103 O SER A 130 19.367 12.987 -3.557 1.00 1.10 O ATOM 2104 CB SER A 130 16.916 12.721 -1.695 1.00 0.41 C ATOM 2105 OG SER A 130 16.767 13.956 -2.366 1.00 0.50 O ATOM 0 H SER A 130 17.255 10.313 -1.153 1.00 0.40 H new ATOM 0 HA SER A 130 17.079 11.810 -3.633 1.00 0.48 H new ATOM 0 HB2 SER A 130 15.947 12.354 -1.358 1.00 0.41 H new ATOM 0 HB3 SER A 130 17.537 12.844 -0.807 1.00 0.41 H new ATOM 0 HG SER A 130 17.562 14.129 -2.912 1.00 0.50 H new ATOM 2111 N LYS A 131 19.929 11.238 -2.261 1.00 0.46 N ATOM 2112 CA LYS A 131 21.354 11.261 -2.538 1.00 0.49 C ATOM 2113 C LYS A 131 21.578 10.469 -3.815 1.00 0.37 C ATOM 2114 O LYS A 131 22.326 10.904 -4.685 1.00 0.45 O ATOM 2115 CB LYS A 131 22.145 10.636 -1.368 1.00 0.58 C ATOM 2116 CG LYS A 131 23.125 11.616 -0.713 1.00 1.28 C ATOM 2117 CD LYS A 131 22.407 12.762 0.011 1.00 1.46 C ATOM 2118 CE LYS A 131 23.414 13.645 0.760 1.00 2.28 C ATOM 2119 NZ LYS A 131 23.725 13.123 2.111 1.00 3.33 N ATOM 0 H LYS A 131 19.667 10.553 -1.552 1.00 0.46 H new ATOM 0 HA LYS A 131 21.704 12.286 -2.655 1.00 0.49 H new ATOM 0 HB2 LYS A 131 21.444 10.275 -0.615 1.00 0.58 H new ATOM 0 HB3 LYS A 131 22.696 9.769 -1.732 1.00 0.58 H new ATOM 0 HG2 LYS A 131 23.753 11.078 -0.003 1.00 1.28 H new ATOM 0 HG3 LYS A 131 23.786 12.029 -1.475 1.00 1.28 H new ATOM 0 HD2 LYS A 131 21.853 13.364 -0.710 1.00 1.46 H new ATOM 0 HD3 LYS A 131 21.679 12.356 0.713 1.00 1.46 H new ATOM 0 HE2 LYS A 131 24.334 13.715 0.180 1.00 2.28 H new ATOM 0 HE3 LYS A 131 23.014 14.655 0.847 1.00 2.28 H new ATOM 0 HZ1 LYS A 131 24.409 13.753 2.577 1.00 3.33 H new ATOM 0 HZ2 LYS A 131 22.853 13.080 2.676 1.00 3.33 H new ATOM 0 HZ3 LYS A 131 24.132 12.169 2.030 1.00 3.33 H new ATOM 2133 N ASP A 132 20.978 9.280 -3.904 1.00 0.29 N ATOM 2134 CA ASP A 132 21.346 8.327 -4.931 1.00 0.34 C ATOM 2135 C ASP A 132 20.217 7.332 -5.214 1.00 0.32 C ATOM 2136 O ASP A 132 20.210 6.197 -4.732 1.00 0.33 O ATOM 2137 CB ASP A 132 22.614 7.599 -4.483 1.00 0.38 C ATOM 2138 CG ASP A 132 23.243 6.846 -5.648 1.00 0.52 C ATOM 2139 OD1 ASP A 132 22.519 6.590 -6.640 1.00 1.57 O ATOM 2140 OD2 ASP A 132 24.445 6.515 -5.519 1.00 1.88 O ATOM 0 H ASP A 132 20.239 8.963 -3.276 1.00 0.29 H new ATOM 0 HA ASP A 132 21.531 8.861 -5.863 1.00 0.34 H new ATOM 0 HB2 ASP A 132 23.328 8.317 -4.080 1.00 0.38 H new ATOM 0 HB3 ASP A 132 22.375 6.902 -3.680 1.00 0.38 H new ATOM 2145 N ARG A 133 19.281 7.719 -6.088 1.00 0.32 N ATOM 2146 CA ARG A 133 18.222 6.806 -6.507 1.00 0.30 C ATOM 2147 C ARG A 133 18.785 5.505 -7.064 1.00 0.30 C ATOM 2148 O ARG A 133 18.066 4.517 -7.047 1.00 0.33 O ATOM 2149 CB ARG A 133 17.283 7.383 -7.580 1.00 0.33 C ATOM 2150 CG ARG A 133 16.650 8.741 -7.253 1.00 0.56 C ATOM 2151 CD ARG A 133 15.522 8.640 -6.224 1.00 2.10 C ATOM 2152 NE ARG A 133 15.138 9.978 -5.751 1.00 2.66 N ATOM 2153 CZ ARG A 133 14.289 10.826 -6.348 1.00 3.20 C ATOM 2154 NH1 ARG A 133 14.083 12.041 -5.837 1.00 4.10 N ATOM 2155 NH2 ARG A 133 13.651 10.462 -7.462 1.00 3.75 N ATOM 0 H ARG A 133 19.238 8.646 -6.512 1.00 0.32 H new ATOM 0 HA ARG A 133 17.652 6.634 -5.594 1.00 0.30 H new ATOM 0 HB2 ARG A 133 17.842 7.479 -8.511 1.00 0.33 H new ATOM 0 HB3 ARG A 133 16.483 6.665 -7.760 1.00 0.33 H new ATOM 0 HG2 ARG A 133 17.420 9.414 -6.875 1.00 0.56 H new ATOM 0 HG3 ARG A 133 16.260 9.185 -8.169 1.00 0.56 H new ATOM 0 HD2 ARG A 133 14.660 8.143 -6.668 1.00 2.10 H new ATOM 0 HD3 ARG A 133 15.844 8.028 -5.381 1.00 2.10 H new ATOM 0 HE ARG A 133 15.561 10.294 -4.878 1.00 2.66 H new ATOM 0 HH11 ARG A 133 14.572 12.327 -4.989 1.00 4.10 H new ATOM 0 HH12 ARG A 133 13.436 12.684 -6.294 1.00 4.10 H new ATOM 0 HH21 ARG A 133 13.809 9.537 -7.861 1.00 3.75 H new ATOM 0 HH22 ARG A 133 13.005 11.109 -7.915 1.00 3.75 H new ATOM 2169 N LYS A 134 20.009 5.457 -7.606 1.00 0.31 N ATOM 2170 CA LYS A 134 20.478 4.213 -8.208 1.00 0.30 C ATOM 2171 C LYS A 134 20.540 3.116 -7.164 1.00 0.30 C ATOM 2172 O LYS A 134 20.141 1.993 -7.471 1.00 0.33 O ATOM 2173 CB LYS A 134 21.837 4.370 -8.893 1.00 0.31 C ATOM 2174 CG LYS A 134 21.691 5.192 -10.186 1.00 0.45 C ATOM 2175 CD LYS A 134 22.504 6.489 -10.126 1.00 2.04 C ATOM 2176 CE LYS A 134 22.173 7.406 -11.311 1.00 2.51 C ATOM 2177 NZ LYS A 134 22.725 6.909 -12.591 1.00 2.81 N ATOM 0 H LYS A 134 20.667 6.236 -7.639 1.00 0.31 H new ATOM 0 HA LYS A 134 19.759 3.940 -8.981 1.00 0.30 H new ATOM 0 HB2 LYS A 134 22.537 4.862 -8.218 1.00 0.31 H new ATOM 0 HB3 LYS A 134 22.252 3.389 -9.123 1.00 0.31 H new ATOM 0 HG2 LYS A 134 22.020 4.595 -11.036 1.00 0.45 H new ATOM 0 HG3 LYS A 134 20.640 5.428 -10.351 1.00 0.45 H new ATOM 0 HD2 LYS A 134 22.296 7.009 -9.191 1.00 2.04 H new ATOM 0 HD3 LYS A 134 23.569 6.255 -10.130 1.00 2.04 H new ATOM 0 HE2 LYS A 134 21.091 7.501 -11.400 1.00 2.51 H new ATOM 0 HE3 LYS A 134 22.566 8.403 -11.114 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 22.472 7.566 -13.357 1.00 2.81 H new ATOM 0 HZ2 LYS A 134 23.760 6.843 -12.520 1.00 2.81 H new ATOM 0 HZ3 LYS A 134 22.331 5.969 -12.797 1.00 2.81 H new ATOM 2191 N LYS A 135 21.006 3.433 -5.950 1.00 0.32 N ATOM 2192 CA LYS A 135 20.939 2.466 -4.864 1.00 0.36 C ATOM 2193 C LYS A 135 19.511 2.019 -4.680 1.00 0.38 C ATOM 2194 O LYS A 135 19.262 0.843 -4.833 1.00 0.68 O ATOM 2195 CB LYS A 135 21.500 2.991 -3.543 1.00 0.54 C ATOM 2196 CG LYS A 135 23.020 2.812 -3.503 1.00 0.63 C ATOM 2197 CD LYS A 135 23.686 4.175 -3.508 1.00 1.29 C ATOM 2198 CE LYS A 135 25.165 4.083 -3.144 1.00 1.49 C ATOM 2199 NZ LYS A 135 25.832 5.375 -3.402 1.00 2.91 N ATOM 0 H LYS A 135 21.423 4.331 -5.705 1.00 0.32 H new ATOM 0 HA LYS A 135 21.571 1.625 -5.148 1.00 0.36 H new ATOM 0 HB2 LYS A 135 21.248 4.045 -3.426 1.00 0.54 H new ATOM 0 HB3 LYS A 135 21.042 2.459 -2.709 1.00 0.54 H new ATOM 0 HG2 LYS A 135 23.309 2.257 -2.611 1.00 0.63 H new ATOM 0 HG3 LYS A 135 23.352 2.229 -4.362 1.00 0.63 H new ATOM 0 HD2 LYS A 135 23.582 4.627 -4.494 1.00 1.29 H new ATOM 0 HD3 LYS A 135 23.178 4.831 -2.801 1.00 1.29 H new ATOM 0 HE2 LYS A 135 25.273 3.812 -2.094 1.00 1.49 H new ATOM 0 HE3 LYS A 135 25.643 3.295 -3.727 1.00 1.49 H new ATOM 0 HZ1 LYS A 135 26.849 5.217 -3.550 1.00 2.91 H new ATOM 0 HZ2 LYS A 135 25.423 5.813 -4.252 1.00 2.91 H new ATOM 0 HZ3 LYS A 135 25.694 6.006 -2.587 1.00 2.91 H new ATOM 2213 N PHE A 136 18.563 2.921 -4.452 1.00 0.33 N ATOM 2214 CA PHE A 136 17.167 2.558 -4.231 1.00 0.38 C ATOM 2215 C PHE A 136 16.685 1.593 -5.307 1.00 0.35 C ATOM 2216 O PHE A 136 16.067 0.576 -5.008 1.00 0.38 O ATOM 2217 CB PHE A 136 16.312 3.829 -4.196 1.00 0.42 C ATOM 2218 CG PHE A 136 14.849 3.667 -4.587 1.00 1.02 C ATOM 2219 CD1 PHE A 136 14.085 2.574 -4.132 1.00 1.96 C ATOM 2220 CD2 PHE A 136 14.254 4.611 -5.444 1.00 2.54 C ATOM 2221 CE1 PHE A 136 12.750 2.417 -4.542 1.00 2.38 C ATOM 2222 CE2 PHE A 136 12.914 4.465 -5.843 1.00 3.11 C ATOM 2223 CZ PHE A 136 12.164 3.366 -5.396 1.00 2.48 C ATOM 0 H PHE A 136 18.740 3.925 -4.415 1.00 0.33 H new ATOM 0 HA PHE A 136 17.073 2.047 -3.273 1.00 0.38 H new ATOM 0 HB2 PHE A 136 16.353 4.242 -3.188 1.00 0.42 H new ATOM 0 HB3 PHE A 136 16.765 4.565 -4.861 1.00 0.42 H new ATOM 0 HD1 PHE A 136 14.529 1.851 -3.463 1.00 1.96 H new ATOM 0 HD2 PHE A 136 14.830 5.453 -5.798 1.00 2.54 H new ATOM 0 HE1 PHE A 136 12.176 1.568 -4.201 1.00 2.38 H new ATOM 0 HE2 PHE A 136 12.461 5.199 -6.494 1.00 3.11 H new ATOM 0 HZ PHE A 136 11.137 3.250 -5.709 1.00 2.48 H new ATOM 2233 N CYS A 137 16.968 1.908 -6.565 1.00 0.33 N ATOM 2234 CA CYS A 137 16.523 1.115 -7.681 1.00 0.33 C ATOM 2235 C CYS A 137 17.114 -0.290 -7.566 1.00 0.28 C ATOM 2236 O CYS A 137 16.422 -1.265 -7.825 1.00 0.36 O ATOM 2237 CB CYS A 137 16.917 1.782 -9.001 1.00 0.35 C ATOM 2238 SG CYS A 137 15.978 3.320 -9.220 1.00 1.90 S ATOM 0 H CYS A 137 17.516 2.726 -6.830 1.00 0.33 H new ATOM 0 HA CYS A 137 15.436 1.038 -7.667 1.00 0.33 H new ATOM 0 HB2 CYS A 137 17.986 1.994 -9.006 1.00 0.35 H new ATOM 0 HB3 CYS A 137 16.722 1.105 -9.833 1.00 0.35 H new ATOM 0 HG CYS A 137 16.481 4.247 -8.460 1.00 1.90 H new ATOM 2244 N LYS A 138 18.397 -0.406 -7.203 1.00 0.23 N ATOM 2245 CA LYS A 138 19.067 -1.715 -7.169 1.00 0.26 C ATOM 2246 C LYS A 138 18.585 -2.516 -5.962 1.00 0.28 C ATOM 2247 O LYS A 138 18.204 -3.676 -6.075 1.00 0.30 O ATOM 2248 CB LYS A 138 20.598 -1.557 -7.111 1.00 0.45 C ATOM 2249 CG LYS A 138 21.299 -1.811 -8.454 1.00 0.77 C ATOM 2250 CD LYS A 138 21.229 -0.651 -9.452 1.00 1.26 C ATOM 2251 CE LYS A 138 19.823 -0.479 -10.029 1.00 1.84 C ATOM 2252 NZ LYS A 138 19.822 0.461 -11.168 1.00 3.07 N ATOM 0 H LYS A 138 18.988 0.380 -6.931 1.00 0.23 H new ATOM 0 HA LYS A 138 18.813 -2.248 -8.086 1.00 0.26 H new ATOM 0 HB2 LYS A 138 20.837 -0.549 -6.772 1.00 0.45 H new ATOM 0 HB3 LYS A 138 20.997 -2.247 -6.367 1.00 0.45 H new ATOM 0 HG2 LYS A 138 22.347 -2.042 -8.262 1.00 0.77 H new ATOM 0 HG3 LYS A 138 20.858 -2.694 -8.915 1.00 0.77 H new ATOM 0 HD2 LYS A 138 21.534 0.272 -8.958 1.00 1.26 H new ATOM 0 HD3 LYS A 138 21.935 -0.827 -10.263 1.00 1.26 H new ATOM 0 HE2 LYS A 138 19.440 -1.447 -10.353 1.00 1.84 H new ATOM 0 HE3 LYS A 138 19.151 -0.114 -9.252 1.00 1.84 H new ATOM 0 HZ1 LYS A 138 18.855 0.557 -11.538 1.00 3.07 H new ATOM 0 HZ2 LYS A 138 20.166 1.390 -10.852 1.00 3.07 H new ATOM 0 HZ3 LYS A 138 20.445 0.099 -11.918 1.00 3.07 H new ATOM 2266 N ASN A 139 18.614 -1.884 -4.793 1.00 0.31 N ATOM 2267 CA ASN A 139 18.167 -2.418 -3.523 1.00 0.32 C ATOM 2268 C ASN A 139 16.791 -3.014 -3.708 1.00 0.30 C ATOM 2269 O ASN A 139 16.597 -4.164 -3.355 1.00 0.32 O ATOM 2270 CB ASN A 139 18.105 -1.332 -2.440 1.00 0.42 C ATOM 2271 CG ASN A 139 19.454 -0.748 -2.050 1.00 0.70 C ATOM 2272 OD1 ASN A 139 19.627 0.460 -2.055 1.00 2.77 O ATOM 2273 ND2 ASN A 139 20.431 -1.578 -1.710 1.00 1.64 N ATOM 0 H ASN A 139 18.971 -0.932 -4.708 1.00 0.31 H new ATOM 0 HA ASN A 139 18.880 -3.175 -3.197 1.00 0.32 H new ATOM 0 HB2 ASN A 139 17.462 -0.525 -2.790 1.00 0.42 H new ATOM 0 HB3 ASN A 139 17.635 -1.751 -1.551 1.00 0.42 H new ATOM 0 HD21 ASN A 139 21.345 -1.209 -1.447 1.00 1.64 H new ATOM 0 HD22 ASN A 139 20.268 -2.585 -1.711 1.00 1.64 H new ATOM 2280 N ALA A 140 15.851 -2.246 -4.260 1.00 0.30 N ATOM 2281 CA ALA A 140 14.510 -2.708 -4.560 1.00 0.27 C ATOM 2282 C ALA A 140 14.530 -3.905 -5.500 1.00 0.22 C ATOM 2283 O ALA A 140 13.749 -4.818 -5.296 1.00 0.29 O ATOM 2284 CB ALA A 140 13.674 -1.590 -5.174 1.00 0.29 C ATOM 0 H ALA A 140 16.010 -1.271 -4.512 1.00 0.30 H new ATOM 0 HA ALA A 140 14.058 -3.016 -3.617 1.00 0.27 H new ATOM 0 HB1 ALA A 140 12.672 -1.961 -5.390 1.00 0.29 H new ATOM 0 HB2 ALA A 140 13.609 -0.758 -4.473 1.00 0.29 H new ATOM 0 HB3 ALA A 140 14.142 -1.251 -6.098 1.00 0.29 H new ATOM 2290 N GLU A 141 15.353 -3.909 -6.544 1.00 0.22 N ATOM 2291 CA GLU A 141 15.493 -5.033 -7.467 1.00 0.26 C ATOM 2292 C GLU A 141 15.694 -6.338 -6.690 1.00 0.25 C ATOM 2293 O GLU A 141 14.994 -7.328 -6.909 1.00 0.30 O ATOM 2294 CB GLU A 141 16.655 -4.710 -8.429 1.00 0.36 C ATOM 2295 CG GLU A 141 16.436 -5.223 -9.850 1.00 0.64 C ATOM 2296 CD GLU A 141 17.323 -4.523 -10.891 1.00 0.83 C ATOM 2297 OE1 GLU A 141 17.053 -4.795 -12.086 1.00 1.82 O ATOM 2298 OE2 GLU A 141 18.190 -3.698 -10.520 1.00 1.61 O ATOM 0 H GLU A 141 15.953 -3.118 -6.777 1.00 0.22 H new ATOM 0 HA GLU A 141 14.589 -5.178 -8.058 1.00 0.26 H new ATOM 0 HB2 GLU A 141 16.800 -3.630 -8.460 1.00 0.36 H new ATOM 0 HB3 GLU A 141 17.574 -5.143 -8.033 1.00 0.36 H new ATOM 0 HG2 GLU A 141 16.633 -6.295 -9.877 1.00 0.64 H new ATOM 0 HG3 GLU A 141 15.390 -5.084 -10.122 1.00 0.64 H new ATOM 2305 N GLU A 142 16.623 -6.312 -5.735 1.00 0.25 N ATOM 2306 CA GLU A 142 16.921 -7.445 -4.875 1.00 0.28 C ATOM 2307 C GLU A 142 15.777 -7.713 -3.899 1.00 0.28 C ATOM 2308 O GLU A 142 15.376 -8.854 -3.721 1.00 0.32 O ATOM 2309 CB GLU A 142 18.196 -7.155 -4.074 1.00 0.37 C ATOM 2310 CG GLU A 142 19.472 -7.618 -4.778 1.00 0.56 C ATOM 2311 CD GLU A 142 20.672 -7.371 -3.862 1.00 1.42 C ATOM 2312 OE1 GLU A 142 20.627 -7.896 -2.722 1.00 2.01 O ATOM 2313 OE2 GLU A 142 21.587 -6.631 -4.275 1.00 2.36 O ATOM 0 H GLU A 142 17.194 -5.490 -5.538 1.00 0.25 H new ATOM 0 HA GLU A 142 17.057 -8.324 -5.506 1.00 0.28 H new ATOM 0 HB2 GLU A 142 18.262 -6.084 -3.885 1.00 0.37 H new ATOM 0 HB3 GLU A 142 18.126 -7.646 -3.103 1.00 0.37 H new ATOM 0 HG2 GLU A 142 19.401 -8.677 -5.026 1.00 0.56 H new ATOM 0 HG3 GLU A 142 19.599 -7.079 -5.717 1.00 0.56 H new ATOM 2320 N PHE A 143 15.295 -6.680 -3.210 1.00 0.28 N ATOM 2321 CA PHE A 143 14.331 -6.756 -2.114 1.00 0.30 C ATOM 2322 C PHE A 143 13.043 -7.390 -2.608 1.00 0.26 C ATOM 2323 O PHE A 143 12.450 -8.248 -1.957 1.00 0.28 O ATOM 2324 CB PHE A 143 14.051 -5.350 -1.557 1.00 0.37 C ATOM 2325 CG PHE A 143 14.368 -5.182 -0.088 1.00 0.93 C ATOM 2326 CD1 PHE A 143 13.406 -4.643 0.786 1.00 0.91 C ATOM 2327 CD2 PHE A 143 15.650 -5.505 0.395 1.00 1.92 C ATOM 2328 CE1 PHE A 143 13.732 -4.430 2.137 1.00 1.69 C ATOM 2329 CE2 PHE A 143 15.965 -5.308 1.751 1.00 2.71 C ATOM 2330 CZ PHE A 143 15.004 -4.766 2.622 1.00 2.55 C ATOM 0 H PHE A 143 15.580 -5.721 -3.411 1.00 0.28 H new ATOM 0 HA PHE A 143 14.746 -7.370 -1.315 1.00 0.30 H new ATOM 0 HB2 PHE A 143 14.633 -4.625 -2.126 1.00 0.37 H new ATOM 0 HB3 PHE A 143 13.000 -5.112 -1.718 1.00 0.37 H new ATOM 0 HD1 PHE A 143 12.421 -4.394 0.420 1.00 0.91 H new ATOM 0 HD2 PHE A 143 16.394 -5.905 -0.278 1.00 1.92 H new ATOM 0 HE1 PHE A 143 12.998 -4.005 2.805 1.00 1.69 H new ATOM 0 HE2 PHE A 143 16.944 -5.573 2.123 1.00 2.71 H new ATOM 0 HZ PHE A 143 15.245 -4.609 3.663 1.00 2.55 H new ATOM 2340 N THR A 144 12.627 -6.957 -3.786 1.00 0.24 N ATOM 2341 CA THR A 144 11.520 -7.514 -4.516 1.00 0.24 C ATOM 2342 C THR A 144 11.774 -9.008 -4.728 1.00 0.25 C ATOM 2343 O THR A 144 10.955 -9.826 -4.334 1.00 0.26 O ATOM 2344 CB THR A 144 11.340 -6.718 -5.810 1.00 0.26 C ATOM 2345 OG1 THR A 144 10.999 -5.386 -5.494 1.00 0.29 O ATOM 2346 CG2 THR A 144 10.213 -7.295 -6.641 1.00 0.30 C ATOM 0 H THR A 144 13.073 -6.179 -4.271 1.00 0.24 H new ATOM 0 HA THR A 144 10.581 -7.435 -3.969 1.00 0.24 H new ATOM 0 HB THR A 144 12.274 -6.764 -6.370 1.00 0.26 H new ATOM 0 HG1 THR A 144 11.816 -4.861 -5.364 1.00 0.29 H new ATOM 0 HG21 THR A 144 10.102 -6.714 -7.557 1.00 0.30 H new ATOM 0 HG22 THR A 144 10.441 -8.331 -6.894 1.00 0.30 H new ATOM 0 HG23 THR A 144 9.284 -7.256 -6.072 1.00 0.30 H new ATOM 2354 N LYS A 145 12.909 -9.401 -5.305 1.00 0.30 N ATOM 2355 CA LYS A 145 13.180 -10.829 -5.488 1.00 0.35 C ATOM 2356 C LYS A 145 13.315 -11.613 -4.172 1.00 0.38 C ATOM 2357 O LYS A 145 13.099 -12.820 -4.171 1.00 0.50 O ATOM 2358 CB LYS A 145 14.408 -11.026 -6.390 1.00 0.40 C ATOM 2359 CG LYS A 145 14.004 -11.832 -7.629 1.00 1.76 C ATOM 2360 CD LYS A 145 15.142 -11.874 -8.653 1.00 2.84 C ATOM 2361 CE LYS A 145 14.582 -12.089 -10.061 1.00 4.63 C ATOM 2362 NZ LYS A 145 13.867 -13.376 -10.202 1.00 5.24 N ATOM 0 H LYS A 145 13.637 -8.773 -5.645 1.00 0.30 H new ATOM 0 HA LYS A 145 12.303 -11.250 -5.980 1.00 0.35 H new ATOM 0 HB2 LYS A 145 14.813 -10.059 -6.688 1.00 0.40 H new ATOM 0 HB3 LYS A 145 15.194 -11.547 -5.844 1.00 0.40 H new ATOM 0 HG2 LYS A 145 13.737 -12.847 -7.335 1.00 1.76 H new ATOM 0 HG3 LYS A 145 13.118 -11.388 -8.083 1.00 1.76 H new ATOM 0 HD2 LYS A 145 15.707 -10.943 -8.617 1.00 2.84 H new ATOM 0 HD3 LYS A 145 15.835 -12.677 -8.403 1.00 2.84 H new ATOM 0 HE2 LYS A 145 13.903 -11.272 -10.306 1.00 4.63 H new ATOM 0 HE3 LYS A 145 15.399 -12.051 -10.782 1.00 4.63 H new ATOM 0 HZ1 LYS A 145 13.612 -13.524 -11.199 1.00 5.24 H new ATOM 0 HZ2 LYS A 145 14.482 -14.152 -9.883 1.00 5.24 H new ATOM 0 HZ3 LYS A 145 13.003 -13.358 -9.623 1.00 5.24 H new ATOM 2376 N LYS A 146 13.707 -10.970 -3.068 1.00 0.34 N ATOM 2377 CA LYS A 146 13.896 -11.602 -1.765 1.00 0.35 C ATOM 2378 C LYS A 146 12.545 -11.942 -1.146 1.00 0.33 C ATOM 2379 O LYS A 146 12.293 -13.086 -0.785 1.00 0.36 O ATOM 2380 CB LYS A 146 14.681 -10.650 -0.845 1.00 0.40 C ATOM 2381 CG LYS A 146 16.199 -10.867 -0.924 1.00 0.58 C ATOM 2382 CD LYS A 146 16.956 -9.538 -0.853 1.00 1.19 C ATOM 2383 CE LYS A 146 18.324 -9.704 -0.181 1.00 1.45 C ATOM 2384 NZ LYS A 146 19.227 -8.570 -0.474 1.00 2.38 N ATOM 0 H LYS A 146 13.906 -9.970 -3.059 1.00 0.34 H new ATOM 0 HA LYS A 146 14.460 -12.526 -1.890 1.00 0.35 H new ATOM 0 HB2 LYS A 146 14.451 -9.619 -1.115 1.00 0.40 H new ATOM 0 HB3 LYS A 146 14.351 -10.792 0.184 1.00 0.40 H new ATOM 0 HG2 LYS A 146 16.519 -11.514 -0.107 1.00 0.58 H new ATOM 0 HG3 LYS A 146 16.447 -11.380 -1.853 1.00 0.58 H new ATOM 0 HD2 LYS A 146 17.090 -9.140 -1.859 1.00 1.19 H new ATOM 0 HD3 LYS A 146 16.363 -8.810 -0.299 1.00 1.19 H new ATOM 0 HE2 LYS A 146 18.190 -9.791 0.897 1.00 1.45 H new ATOM 0 HE3 LYS A 146 18.785 -10.631 -0.521 1.00 1.45 H new ATOM 0 HZ1 LYS A 146 20.022 -8.577 0.197 1.00 2.38 H new ATOM 0 HZ2 LYS A 146 19.592 -8.659 -1.444 1.00 2.38 H new ATOM 0 HZ3 LYS A 146 18.703 -7.676 -0.382 1.00 2.38 H new ATOM 2398 N TYR A 147 11.724 -10.916 -0.932 1.00 0.30 N ATOM 2399 CA TYR A 147 10.465 -10.989 -0.204 1.00 0.29 C ATOM 2400 C TYR A 147 9.286 -10.524 -1.051 1.00 0.28 C ATOM 2401 O TYR A 147 8.160 -10.907 -0.756 1.00 0.35 O ATOM 2402 CB TYR A 147 10.541 -10.131 1.061 1.00 0.35 C ATOM 2403 CG TYR A 147 10.724 -10.963 2.308 1.00 0.37 C ATOM 2404 CD1 TYR A 147 9.678 -11.102 3.239 1.00 1.84 C ATOM 2405 CD2 TYR A 147 11.915 -11.686 2.476 1.00 1.73 C ATOM 2406 CE1 TYR A 147 9.827 -11.952 4.346 1.00 1.88 C ATOM 2407 CE2 TYR A 147 12.069 -12.540 3.575 1.00 1.72 C ATOM 2408 CZ TYR A 147 11.029 -12.677 4.521 1.00 0.47 C ATOM 2409 OH TYR A 147 11.187 -13.508 5.588 1.00 0.55 O ATOM 0 H TYR A 147 11.928 -9.977 -1.275 1.00 0.30 H new ATOM 0 HA TYR A 147 10.304 -12.035 0.058 1.00 0.29 H new ATOM 0 HB2 TYR A 147 11.369 -9.428 0.971 1.00 0.35 H new ATOM 0 HB3 TYR A 147 9.630 -9.540 1.152 1.00 0.35 H new ATOM 0 HD1 TYR A 147 8.758 -10.553 3.101 1.00 1.84 H new ATOM 0 HD2 TYR A 147 12.714 -11.584 1.757 1.00 1.73 H new ATOM 0 HE1 TYR A 147 9.025 -12.052 5.063 1.00 1.88 H new ATOM 0 HE2 TYR A 147 12.986 -13.096 3.700 1.00 1.72 H new ATOM 0 HH TYR A 147 12.073 -13.926 5.549 1.00 0.55 H new ATOM 2419 N GLY A 148 9.512 -9.626 -2.013 1.00 0.25 N ATOM 2420 CA GLY A 148 8.460 -9.063 -2.845 1.00 0.26 C ATOM 2421 C GLY A 148 7.605 -10.151 -3.479 1.00 0.29 C ATOM 2422 O GLY A 148 8.079 -11.230 -3.829 1.00 0.36 O ATOM 0 H GLY A 148 10.442 -9.269 -2.234 1.00 0.25 H new ATOM 0 HA2 GLY A 148 7.830 -8.409 -2.243 1.00 0.26 H new ATOM 0 HA3 GLY A 148 8.904 -8.447 -3.627 1.00 0.26 H new ATOM 2426 N GLU A 149 6.313 -9.866 -3.599 1.00 0.27 N ATOM 2427 CA GLU A 149 5.338 -10.888 -3.911 1.00 0.20 C ATOM 2428 C GLU A 149 5.423 -11.294 -5.376 1.00 0.26 C ATOM 2429 O GLU A 149 5.912 -10.561 -6.236 1.00 0.41 O ATOM 2430 CB GLU A 149 3.948 -10.362 -3.547 1.00 0.26 C ATOM 2431 CG GLU A 149 2.853 -11.433 -3.469 1.00 0.80 C ATOM 2432 CD GLU A 149 3.248 -12.603 -2.566 1.00 0.58 C ATOM 2433 OE1 GLU A 149 2.881 -12.577 -1.369 1.00 2.37 O ATOM 2434 OE2 GLU A 149 3.937 -13.497 -3.104 1.00 1.93 O ATOM 0 H GLU A 149 5.922 -8.931 -3.483 1.00 0.27 H new ATOM 0 HA GLU A 149 5.543 -11.786 -3.328 1.00 0.20 H new ATOM 0 HB2 GLU A 149 4.008 -9.854 -2.585 1.00 0.26 H new ATOM 0 HB3 GLU A 149 3.654 -9.615 -4.284 1.00 0.26 H new ATOM 0 HG2 GLU A 149 1.934 -10.983 -3.095 1.00 0.80 H new ATOM 0 HG3 GLU A 149 2.641 -11.806 -4.471 1.00 0.80 H new ATOM 2441 N LYS A 150 4.928 -12.485 -5.680 1.00 0.28 N ATOM 2442 CA LYS A 150 5.034 -13.017 -7.025 1.00 0.41 C ATOM 2443 C LYS A 150 3.931 -12.387 -7.861 1.00 0.48 C ATOM 2444 O LYS A 150 2.775 -12.797 -7.796 1.00 0.57 O ATOM 2445 CB LYS A 150 4.986 -14.547 -7.009 1.00 0.53 C ATOM 2446 CG LYS A 150 5.917 -15.053 -5.902 1.00 1.53 C ATOM 2447 CD LYS A 150 6.268 -16.531 -6.046 1.00 2.07 C ATOM 2448 CE LYS A 150 6.515 -17.048 -4.630 1.00 3.42 C ATOM 2449 NZ LYS A 150 7.185 -18.365 -4.618 1.00 4.25 N ATOM 0 H LYS A 150 4.452 -13.096 -5.016 1.00 0.28 H new ATOM 0 HA LYS A 150 5.994 -12.764 -7.474 1.00 0.41 H new ATOM 0 HB2 LYS A 150 3.967 -14.892 -6.833 1.00 0.53 H new ATOM 0 HB3 LYS A 150 5.295 -14.945 -7.975 1.00 0.53 H new ATOM 0 HG2 LYS A 150 6.835 -14.465 -5.910 1.00 1.53 H new ATOM 0 HG3 LYS A 150 5.443 -14.891 -4.934 1.00 1.53 H new ATOM 0 HD2 LYS A 150 5.457 -17.079 -6.525 1.00 2.07 H new ATOM 0 HD3 LYS A 150 7.153 -16.662 -6.669 1.00 2.07 H new ATOM 0 HE2 LYS A 150 7.126 -16.328 -4.085 1.00 3.42 H new ATOM 0 HE3 LYS A 150 5.564 -17.123 -4.103 1.00 3.42 H new ATOM 0 HZ1 LYS A 150 7.330 -18.672 -3.635 1.00 4.25 H new ATOM 0 HZ2 LYS A 150 6.592 -19.061 -5.114 1.00 4.25 H new ATOM 0 HZ3 LYS A 150 8.105 -18.291 -5.097 1.00 4.25 H new ATOM 2463 N ARG A 151 4.286 -11.342 -8.608 1.00 0.53 N ATOM 2464 CA ARG A 151 3.326 -10.617 -9.425 1.00 0.57 C ATOM 2465 C ARG A 151 2.674 -11.571 -10.432 1.00 0.76 C ATOM 2466 O ARG A 151 3.302 -12.556 -10.826 1.00 0.94 O ATOM 2467 CB ARG A 151 4.026 -9.431 -10.108 1.00 0.73 C ATOM 2468 CG ARG A 151 4.776 -9.843 -11.385 1.00 1.22 C ATOM 2469 CD ARG A 151 5.872 -8.824 -11.691 1.00 0.91 C ATOM 2470 NE ARG A 151 6.526 -9.061 -12.989 1.00 1.80 N ATOM 2471 CZ ARG A 151 7.486 -9.963 -13.220 1.00 2.13 C ATOM 2472 NH1 ARG A 151 8.168 -9.944 -14.361 1.00 3.22 N ATOM 2473 NH2 ARG A 151 7.783 -10.879 -12.298 1.00 2.82 N ATOM 0 H ARG A 151 5.238 -10.981 -8.661 1.00 0.53 H new ATOM 0 HA ARG A 151 2.528 -10.213 -8.801 1.00 0.57 H new ATOM 0 HB2 ARG A 151 3.286 -8.670 -10.355 1.00 0.73 H new ATOM 0 HB3 ARG A 151 4.728 -8.977 -9.409 1.00 0.73 H new ATOM 0 HG2 ARG A 151 5.213 -10.834 -11.258 1.00 1.22 H new ATOM 0 HG3 ARG A 151 4.081 -9.906 -12.222 1.00 1.22 H new ATOM 0 HD2 ARG A 151 5.443 -7.822 -11.683 1.00 0.91 H new ATOM 0 HD3 ARG A 151 6.622 -8.855 -10.901 1.00 0.91 H new ATOM 0 HE ARG A 151 6.222 -8.490 -13.777 1.00 1.80 H new ATOM 0 HH11 ARG A 151 7.961 -9.238 -15.067 1.00 3.22 H new ATOM 0 HH12 ARG A 151 8.899 -10.635 -14.530 1.00 3.22 H new ATOM 0 HH21 ARG A 151 7.277 -10.894 -11.412 1.00 2.82 H new ATOM 0 HH22 ARG A 151 8.516 -11.565 -12.478 1.00 2.82 H new