USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1106 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 78 THR OG1 : rot -29:sc= 0.00392 USER MOD Set 2.2: A 81 GLN : amide:sc= -0.454 K(o=-0.45,f=-9.8!) USER MOD Set 3.1: A 44 SER OG : rot 175:sc= 0.00634 USER MOD Set 3.2: A 59 HIS : no HD1:sc= -0.157 X(o=-0.12,f=0.031) USER MOD Set 3.3: A 67 SER OG : rot -165:sc= 0.0272 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 162:sc= 0.433 USER MOD Single : A 5 SER OG : rot 31:sc= 1.07 USER MOD Single : A 6 SER OG : rot -58:sc= 0.0193 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -3.45 K(o=-3.5,f=-4.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.6) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.929 F(o=-2.5!,f=-0.93) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.831 F(o=-1.7!,f=-0.83) USER MOD Single : A 17 GLN : amide:sc= -1.51 K(o=-1.5,f=-6.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.43 K(o=-3.4,f=-9.6!) USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= 0.958 (180deg=0.165!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0136) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.1 F(o=-2.3,f=-1.1) USER MOD Single : A 61 ASN : amide:sc= -0.0908 X(o=-0.091,f=-0.0029) USER MOD Single : A 65 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-7.3!) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.399 (180deg=-0.796) USER MOD Single : A 71 SER OG : rot 4:sc= 0.696 USER MOD Single : A 73 ASN : amide:sc= -0.624 X(o=-0.62,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -139:sc= -0.906 (180deg=-2.32) USER MOD Single : A 86 GLN : amide:sc= -8.01! C(o=-8!,f=-12!) USER MOD Single : A 88 MET CE :methyl -170:sc= -1.59 (180deg=-1.69) USER MOD Single : A 90 ASN : amide:sc= -0.717 K(o=-0.72,f=-8.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.012) USER MOD Single : A 104 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.42) USER MOD Single : A 109 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.13) USER MOD Single : A 110 THR OG1 : rot 32:sc= 0.119 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -148:sc= -0.284 (180deg=-1.06) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -112:sc= 1.05 (180deg=-0.165) USER MOD Single : A 128 TYR OH : rot 165:sc= -0.802 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.7) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.456 5.853 -6.911 1.00 0.00 N ATOM 2 CA GLY A 1 -12.980 5.308 -8.150 1.00 0.00 C ATOM 3 C GLY A 1 -14.290 4.573 -7.951 1.00 0.00 C ATOM 4 O GLY A 1 -14.360 3.611 -7.186 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.560 6.346 -7.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.142 6.524 -6.509 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.290 5.081 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.126 6.117 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.247 4.627 -8.583 1.00 0.00 H new ATOM 8 N SER A 2 -15.332 5.026 -8.641 1.00 0.00 N ATOM 9 CA SER A 2 -16.648 4.408 -8.532 1.00 0.00 C ATOM 10 C SER A 2 -16.719 3.130 -9.363 1.00 0.00 C ATOM 11 O SER A 2 -16.086 3.024 -10.413 1.00 0.00 O ATOM 12 CB SER A 2 -17.734 5.385 -8.988 1.00 0.00 C ATOM 13 OG SER A 2 -18.024 6.333 -7.975 1.00 0.00 O ATOM 0 H SER A 2 -15.290 5.819 -9.281 1.00 0.00 H new ATOM 0 HA SER A 2 -16.815 4.152 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.408 5.901 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.639 4.834 -9.245 1.00 0.00 H new ATOM 0 HG SER A 2 -18.719 6.947 -8.291 1.00 0.00 H new ATOM 19 N SER A 3 -17.492 2.161 -8.883 1.00 0.00 N ATOM 20 CA SER A 3 -17.643 0.888 -9.577 1.00 0.00 C ATOM 21 C SER A 3 -18.647 1.009 -10.720 1.00 0.00 C ATOM 22 O SER A 3 -18.379 0.586 -11.844 1.00 0.00 O ATOM 23 CB SER A 3 -18.093 -0.200 -8.601 1.00 0.00 C ATOM 24 OG SER A 3 -19.371 0.094 -8.063 1.00 0.00 O ATOM 0 H SER A 3 -18.024 2.234 -8.016 1.00 0.00 H new ATOM 0 HA SER A 3 -16.674 0.613 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.123 -1.162 -9.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.367 -0.291 -7.793 1.00 0.00 H new ATOM 0 HG SER A 3 -19.760 -0.720 -7.680 1.00 0.00 H new ATOM 30 N GLY A 4 -19.806 1.589 -10.423 1.00 0.00 N ATOM 31 CA GLY A 4 -20.833 1.755 -11.434 1.00 0.00 C ATOM 32 C GLY A 4 -22.084 0.955 -11.127 1.00 0.00 C ATOM 33 O GLY A 4 -23.155 1.523 -10.915 1.00 0.00 O ATOM 0 H GLY A 4 -20.052 1.947 -9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.091 2.811 -11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.438 1.448 -12.403 1.00 0.00 H new ATOM 37 N SER A 5 -21.949 -0.367 -11.104 1.00 0.00 N ATOM 38 CA SER A 5 -23.078 -1.246 -10.826 1.00 0.00 C ATOM 39 C SER A 5 -22.598 -2.644 -10.446 1.00 0.00 C ATOM 40 O SER A 5 -21.427 -2.978 -10.622 1.00 0.00 O ATOM 41 CB SER A 5 -24.002 -1.325 -12.042 1.00 0.00 C ATOM 42 OG SER A 5 -24.922 -0.247 -12.054 1.00 0.00 O ATOM 0 H SER A 5 -21.068 -0.853 -11.275 1.00 0.00 H new ATOM 0 HA SER A 5 -23.632 -0.830 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.408 -1.310 -12.956 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.545 -2.270 -12.030 1.00 0.00 H new ATOM 0 HG SER A 5 -24.515 0.536 -11.627 1.00 0.00 H new ATOM 48 N SER A 6 -23.512 -3.455 -9.925 1.00 0.00 N ATOM 49 CA SER A 6 -23.183 -4.816 -9.517 1.00 0.00 C ATOM 50 C SER A 6 -22.115 -4.812 -8.427 1.00 0.00 C ATOM 51 O SER A 6 -21.190 -5.623 -8.446 1.00 0.00 O ATOM 52 CB SER A 6 -22.698 -5.629 -10.719 1.00 0.00 C ATOM 53 OG SER A 6 -22.811 -7.020 -10.473 1.00 0.00 O ATOM 0 H SER A 6 -24.487 -3.194 -9.775 1.00 0.00 H new ATOM 0 HA SER A 6 -24.086 -5.277 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.282 -5.364 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.660 -5.378 -10.937 1.00 0.00 H new ATOM 0 HG SER A 6 -22.289 -7.255 -9.677 1.00 0.00 H new ATOM 59 N GLY A 7 -22.252 -3.893 -7.476 1.00 0.00 N ATOM 60 CA GLY A 7 -21.293 -3.800 -6.391 1.00 0.00 C ATOM 61 C GLY A 7 -20.936 -2.366 -6.053 1.00 0.00 C ATOM 62 O GLY A 7 -21.352 -1.435 -6.744 1.00 0.00 O ATOM 0 H GLY A 7 -23.010 -3.211 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.702 -4.287 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.387 -4.342 -6.663 1.00 0.00 H new ATOM 66 N LYS A 8 -20.165 -2.185 -4.986 1.00 0.00 N ATOM 67 CA LYS A 8 -19.753 -0.854 -4.556 1.00 0.00 C ATOM 68 C LYS A 8 -18.591 -0.936 -3.571 1.00 0.00 C ATOM 69 O LYS A 8 -18.734 -1.471 -2.472 1.00 0.00 O ATOM 70 CB LYS A 8 -20.930 -0.116 -3.914 1.00 0.00 C ATOM 71 CG LYS A 8 -20.876 1.391 -4.099 1.00 0.00 C ATOM 72 CD LYS A 8 -21.596 1.823 -5.365 1.00 0.00 C ATOM 73 CE LYS A 8 -21.317 3.281 -5.695 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.981 3.701 -6.960 1.00 0.00 N ATOM 0 H LYS A 8 -19.813 -2.944 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.422 -0.301 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.860 -0.493 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.952 -0.342 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.328 1.881 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.837 1.716 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.280 1.194 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.669 1.675 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.664 3.911 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.241 3.434 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.766 4.701 -7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.631 3.117 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.010 3.579 -6.869 1.00 0.00 H new ATOM 88 N ALA A 9 -17.443 -0.401 -3.972 1.00 0.00 N ATOM 89 CA ALA A 9 -16.258 -0.411 -3.123 1.00 0.00 C ATOM 90 C ALA A 9 -16.629 -0.191 -1.660 1.00 0.00 C ATOM 91 O ALA A 9 -16.350 -1.032 -0.807 1.00 0.00 O ATOM 92 CB ALA A 9 -15.269 0.649 -3.584 1.00 0.00 C ATOM 0 H ALA A 9 -17.308 0.045 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.789 -1.391 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.389 0.630 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.971 0.446 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.737 1.632 -3.529 1.00 0.00 H new ATOM 98 N GLN A 10 -17.259 0.946 -1.379 1.00 0.00 N ATOM 99 CA GLN A 10 -17.666 1.276 -0.019 1.00 0.00 C ATOM 100 C GLN A 10 -18.301 0.071 0.667 1.00 0.00 C ATOM 101 O GLN A 10 -18.015 -0.217 1.830 1.00 0.00 O ATOM 102 CB GLN A 10 -18.649 2.448 -0.029 1.00 0.00 C ATOM 103 CG GLN A 10 -19.933 2.159 -0.789 1.00 0.00 C ATOM 104 CD GLN A 10 -21.013 1.565 0.093 1.00 0.00 C ATOM 105 OE1 GLN A 10 -20.921 1.607 1.321 1.00 0.00 O ATOM 106 NE2 GLN A 10 -22.046 1.008 -0.528 1.00 0.00 N ATOM 0 H GLN A 10 -17.498 1.653 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.775 1.562 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.897 2.712 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.162 3.316 -0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.302 3.082 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.719 1.472 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -22.082 0.995 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -22.804 0.593 0.014 1.00 0.00 H new ATOM 115 N LYS A 11 -19.164 -0.631 -0.059 1.00 0.00 N ATOM 116 CA LYS A 11 -19.839 -1.806 0.478 1.00 0.00 C ATOM 117 C LYS A 11 -18.881 -2.990 0.568 1.00 0.00 C ATOM 118 O LYS A 11 -18.655 -3.537 1.648 1.00 0.00 O ATOM 119 CB LYS A 11 -21.040 -2.174 -0.397 1.00 0.00 C ATOM 120 CG LYS A 11 -21.898 -3.285 0.184 1.00 0.00 C ATOM 121 CD LYS A 11 -22.963 -2.736 1.119 1.00 0.00 C ATOM 122 CE LYS A 11 -22.460 -2.660 2.552 1.00 0.00 C ATOM 123 NZ LYS A 11 -23.581 -2.591 3.530 1.00 0.00 N ATOM 0 H LYS A 11 -19.413 -0.406 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.188 -1.566 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -21.658 -1.288 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.683 -2.479 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.374 -3.840 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.266 -3.989 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -23.265 -1.743 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -23.848 -3.370 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.843 -3.533 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.823 -1.783 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.197 -2.540 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -24.155 -1.745 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -24.175 -3.440 3.438 1.00 0.00 H new ATOM 137 N LEU A 12 -18.321 -3.380 -0.571 1.00 0.00 N ATOM 138 CA LEU A 12 -17.385 -4.498 -0.620 1.00 0.00 C ATOM 139 C LEU A 12 -16.486 -4.511 0.612 1.00 0.00 C ATOM 140 O LEU A 12 -16.401 -5.514 1.320 1.00 0.00 O ATOM 141 CB LEU A 12 -16.532 -4.420 -1.888 1.00 0.00 C ATOM 142 CG LEU A 12 -15.676 -5.649 -2.197 1.00 0.00 C ATOM 143 CD1 LEU A 12 -16.555 -6.829 -2.581 1.00 0.00 C ATOM 144 CD2 LEU A 12 -14.681 -5.339 -3.306 1.00 0.00 C ATOM 0 H LEU A 12 -18.498 -2.939 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.962 -5.422 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.193 -4.240 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -15.874 -3.555 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.118 -5.916 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.928 -7.694 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.228 -7.065 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -17.140 -6.575 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.080 -6.224 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.220 -5.047 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.029 -4.523 -2.993 1.00 0.00 H new ATOM 156 N ASN A 13 -15.819 -3.389 0.863 1.00 0.00 N ATOM 157 CA ASN A 13 -14.928 -3.270 2.011 1.00 0.00 C ATOM 158 C ASN A 13 -15.654 -3.632 3.303 1.00 0.00 C ATOM 159 O ASN A 13 -16.638 -2.993 3.672 1.00 0.00 O ATOM 160 CB ASN A 13 -14.371 -1.848 2.106 1.00 0.00 C ATOM 161 CG ASN A 13 -13.224 -1.611 1.143 1.00 0.00 C ATOM 162 OD1 ASN A 13 -12.173 -2.246 1.243 1.00 0.00 O ATOM 163 ND2 ASN A 13 -13.420 -0.693 0.204 1.00 0.00 N ATOM 0 H ASN A 13 -15.879 -2.549 0.287 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.102 -3.967 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.168 -1.134 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.031 -1.661 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.684 -0.490 -0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.307 -0.191 0.159 1.00 0.00 H new ATOM 170 N GLU A 14 -15.159 -4.660 3.986 1.00 0.00 N ATOM 171 CA GLU A 14 -15.761 -5.106 5.237 1.00 0.00 C ATOM 172 C GLU A 14 -15.133 -4.389 6.429 1.00 0.00 C ATOM 173 O GLU A 14 -15.830 -3.974 7.353 1.00 0.00 O ATOM 174 CB GLU A 14 -15.600 -6.619 5.395 1.00 0.00 C ATOM 175 CG GLU A 14 -16.634 -7.424 4.625 1.00 0.00 C ATOM 176 CD GLU A 14 -16.127 -8.799 4.231 1.00 0.00 C ATOM 177 OE1 GLU A 14 -15.245 -8.877 3.352 1.00 0.00 O ATOM 178 OE2 GLU A 14 -16.614 -9.796 4.804 1.00 0.00 O ATOM 0 H GLU A 14 -14.344 -5.199 3.694 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.823 -4.862 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.604 -6.907 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.666 -6.875 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.532 -7.532 5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.921 -6.876 3.728 1.00 0.00 H new ATOM 185 N GLN A 15 -13.811 -4.250 6.399 1.00 0.00 N ATOM 186 CA GLN A 15 -13.089 -3.585 7.477 1.00 0.00 C ATOM 187 C GLN A 15 -11.608 -3.450 7.138 1.00 0.00 C ATOM 188 O GLN A 15 -11.078 -4.199 6.316 1.00 0.00 O ATOM 189 CB GLN A 15 -13.256 -4.360 8.785 1.00 0.00 C ATOM 190 CG GLN A 15 -12.927 -5.839 8.662 1.00 0.00 C ATOM 191 CD GLN A 15 -13.728 -6.698 9.621 1.00 0.00 C ATOM 192 OE1 GLN A 15 -13.785 -7.996 9.348 1.00 0.00 O flip ATOM 193 NE2 GLN A 15 -14.289 -6.199 10.597 1.00 0.00 N flip ATOM 0 H GLN A 15 -13.219 -4.589 5.641 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.508 -2.586 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.614 -3.916 9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.283 -4.253 9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.119 -6.166 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.864 -5.987 8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.218 -5.196 10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.824 -6.789 11.234 1.00 0.00 H new ATOM 202 N HIS A 16 -10.945 -2.491 7.776 1.00 0.00 N ATOM 203 CA HIS A 16 -9.524 -2.258 7.542 1.00 0.00 C ATOM 204 C HIS A 16 -8.724 -3.542 7.736 1.00 0.00 C ATOM 205 O HIS A 16 -8.143 -4.071 6.788 1.00 0.00 O ATOM 206 CB HIS A 16 -9.003 -1.171 8.482 1.00 0.00 C ATOM 207 CG HIS A 16 -10.008 -0.100 8.776 1.00 0.00 C ATOM 208 ND1 HIS A 16 -11.045 -0.074 9.645 1.00 0.00 N flip ATOM 209 CD2 HIS A 16 -10.014 1.122 8.137 1.00 0.00 C flip ATOM 210 CE1 HIS A 16 -11.652 1.151 9.518 1.00 0.00 C flip ATOM 211 NE2 HIS A 16 -11.010 1.854 8.602 1.00 0.00 N flip ATOM 0 H HIS A 16 -11.369 -1.863 8.459 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.400 -1.926 6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.691 -1.632 9.419 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.117 -0.715 8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.314 1.432 7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.514 1.485 10.076 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.244 2.801 8.304 1.00 0.00 H new ATOM 219 N GLN A 17 -8.698 -4.037 8.969 1.00 0.00 N ATOM 220 CA GLN A 17 -7.968 -5.258 9.286 1.00 0.00 C ATOM 221 C GLN A 17 -8.081 -6.271 8.152 1.00 0.00 C ATOM 222 O GLN A 17 -7.077 -6.804 7.678 1.00 0.00 O ATOM 223 CB GLN A 17 -8.495 -5.870 10.586 1.00 0.00 C ATOM 224 CG GLN A 17 -8.055 -5.120 11.833 1.00 0.00 C ATOM 225 CD GLN A 17 -6.548 -5.081 11.990 1.00 0.00 C ATOM 226 OE1 GLN A 17 -5.900 -6.119 12.127 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.981 -3.881 11.970 1.00 0.00 N ATOM 0 H GLN A 17 -9.174 -3.611 9.764 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.917 -4.999 9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.584 -5.893 10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.156 -6.904 10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.439 -4.101 11.793 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.496 -5.593 12.711 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.557 -3.047 11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.970 -3.793 12.070 1.00 0.00 H new ATOM 236 N LEU A 18 -9.310 -6.533 7.719 1.00 0.00 N ATOM 237 CA LEU A 18 -9.555 -7.482 6.640 1.00 0.00 C ATOM 238 C LEU A 18 -8.796 -7.081 5.379 1.00 0.00 C ATOM 239 O LEU A 18 -7.911 -7.804 4.919 1.00 0.00 O ATOM 240 CB LEU A 18 -11.053 -7.570 6.341 1.00 0.00 C ATOM 241 CG LEU A 18 -11.554 -8.913 5.809 1.00 0.00 C ATOM 242 CD1 LEU A 18 -13.057 -9.037 6.005 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.190 -9.075 4.340 1.00 0.00 C ATOM 0 H LEU A 18 -10.152 -6.101 8.099 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.197 -8.460 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.600 -7.337 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.304 -6.798 5.614 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.068 -9.709 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.396 -9.999 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.292 -8.967 7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.561 -8.234 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.555 -10.037 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.648 -8.273 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.107 -9.032 4.227 1.00 0.00 H new ATOM 255 N ILE A 19 -9.146 -5.925 4.826 1.00 0.00 N ATOM 256 CA ILE A 19 -8.495 -5.426 3.621 1.00 0.00 C ATOM 257 C ILE A 19 -7.014 -5.787 3.607 1.00 0.00 C ATOM 258 O ILE A 19 -6.552 -6.529 2.738 1.00 0.00 O ATOM 259 CB ILE A 19 -8.641 -3.898 3.493 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.116 -3.515 3.358 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.844 -3.388 2.302 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.432 -2.135 3.893 1.00 0.00 C ATOM 0 H ILE A 19 -9.877 -5.316 5.193 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.991 -5.902 2.775 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.245 -3.433 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.401 -3.563 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.724 -4.249 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.957 -2.307 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.791 -3.634 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.212 -3.857 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.495 -1.930 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.178 -2.088 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.851 -1.391 3.348 1.00 0.00 H new ATOM 274 N LEU A 20 -6.273 -5.260 4.576 1.00 0.00 N ATOM 275 CA LEU A 20 -4.842 -5.528 4.677 1.00 0.00 C ATOM 276 C LEU A 20 -4.525 -6.960 4.256 1.00 0.00 C ATOM 277 O LEU A 20 -3.600 -7.199 3.481 1.00 0.00 O ATOM 278 CB LEU A 20 -4.358 -5.286 6.107 1.00 0.00 C ATOM 279 CG LEU A 20 -4.262 -3.824 6.545 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.217 -3.723 8.062 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.039 -3.161 5.927 1.00 0.00 C ATOM 0 H LEU A 20 -6.639 -4.645 5.303 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.321 -4.847 4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.031 -5.805 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.375 -5.743 6.219 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.151 -3.300 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.149 -2.675 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.123 -4.159 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.347 -4.262 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.987 -2.121 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.139 -3.686 6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.114 -3.200 4.840 1.00 0.00 H new ATOM 293 N SER A 21 -5.302 -7.908 4.771 1.00 0.00 N ATOM 294 CA SER A 21 -5.103 -9.317 4.450 1.00 0.00 C ATOM 295 C SER A 21 -5.344 -9.575 2.966 1.00 0.00 C ATOM 296 O SER A 21 -4.594 -10.308 2.321 1.00 0.00 O ATOM 297 CB SER A 21 -6.038 -10.190 5.290 1.00 0.00 C ATOM 298 OG SER A 21 -6.030 -11.531 4.832 1.00 0.00 O ATOM 0 H SER A 21 -6.075 -7.726 5.412 1.00 0.00 H new ATOM 0 HA SER A 21 -4.070 -9.575 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.730 -10.157 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.052 -9.792 5.244 1.00 0.00 H new ATOM 0 HG SER A 21 -6.634 -12.069 5.385 1.00 0.00 H new ATOM 304 N LYS A 22 -6.397 -8.967 2.430 1.00 0.00 N ATOM 305 CA LYS A 22 -6.738 -9.128 1.021 1.00 0.00 C ATOM 306 C LYS A 22 -5.577 -8.706 0.128 1.00 0.00 C ATOM 307 O LYS A 22 -5.347 -9.295 -0.929 1.00 0.00 O ATOM 308 CB LYS A 22 -7.983 -8.307 0.680 1.00 0.00 C ATOM 309 CG LYS A 22 -9.283 -9.074 0.848 1.00 0.00 C ATOM 310 CD LYS A 22 -10.449 -8.142 1.134 1.00 0.00 C ATOM 311 CE LYS A 22 -11.728 -8.917 1.410 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.505 -9.168 0.165 1.00 0.00 N ATOM 0 H LYS A 22 -7.029 -8.358 2.950 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.945 -10.183 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.009 -7.421 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.907 -7.959 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.488 -9.647 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.181 -9.791 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.211 -7.513 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.602 -7.477 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.481 -9.868 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.344 -8.361 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.369 -9.699 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.763 -8.260 -0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.927 -9.721 -0.500 1.00 0.00 H new ATOM 326 N LEU A 23 -4.847 -7.683 0.559 1.00 0.00 N ATOM 327 CA LEU A 23 -3.707 -7.182 -0.202 1.00 0.00 C ATOM 328 C LEU A 23 -2.566 -8.194 -0.203 1.00 0.00 C ATOM 329 O LEU A 23 -2.025 -8.535 -1.256 1.00 0.00 O ATOM 330 CB LEU A 23 -3.225 -5.852 0.380 1.00 0.00 C ATOM 331 CG LEU A 23 -4.305 -4.803 0.642 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.729 -3.623 1.410 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.925 -4.337 -0.667 1.00 0.00 C ATOM 0 H LEU A 23 -5.024 -7.184 1.431 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.029 -7.025 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.709 -6.055 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.490 -5.425 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.087 -5.259 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.513 -2.887 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.333 -3.969 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.927 -3.167 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.692 -3.590 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.153 -3.899 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.375 -5.187 -1.179 1.00 0.00 H new ATOM 345 N LEU A 24 -2.206 -8.672 0.983 1.00 0.00 N ATOM 346 CA LEU A 24 -1.130 -9.648 1.120 1.00 0.00 C ATOM 347 C LEU A 24 -1.385 -10.867 0.238 1.00 0.00 C ATOM 348 O LEU A 24 -0.490 -11.333 -0.467 1.00 0.00 O ATOM 349 CB LEU A 24 -0.990 -10.081 2.580 1.00 0.00 C ATOM 350 CG LEU A 24 -0.272 -9.098 3.505 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.358 -9.565 4.950 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.181 -8.932 3.083 1.00 0.00 C ATOM 0 H LEU A 24 -2.643 -8.400 1.864 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.202 -9.176 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.987 -10.264 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.456 -11.031 2.607 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.766 -8.129 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.158 -8.853 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.404 -9.632 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.110 -10.545 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.676 -8.229 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.686 -9.897 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.222 -8.552 2.062 1.00 0.00 H new ATOM 364 N ARG A 25 -2.611 -11.377 0.283 1.00 0.00 N ATOM 365 CA ARG A 25 -2.984 -12.540 -0.512 1.00 0.00 C ATOM 366 C ARG A 25 -2.483 -12.402 -1.947 1.00 0.00 C ATOM 367 O ARG A 25 -2.030 -13.373 -2.552 1.00 0.00 O ATOM 368 CB ARG A 25 -4.503 -12.723 -0.507 1.00 0.00 C ATOM 369 CG ARG A 25 -5.020 -13.489 0.699 1.00 0.00 C ATOM 370 CD ARG A 25 -6.537 -13.429 0.789 1.00 0.00 C ATOM 371 NE ARG A 25 -7.179 -14.221 -0.256 1.00 0.00 N ATOM 372 CZ ARG A 25 -8.402 -13.979 -0.715 1.00 0.00 C ATOM 373 NH1 ARG A 25 -9.111 -12.973 -0.222 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.918 -14.744 -1.668 1.00 0.00 N ATOM 0 H ARG A 25 -3.363 -11.003 0.862 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.517 -13.418 -0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.979 -11.743 -0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.800 -13.248 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.699 -14.529 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.584 -13.075 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.857 -13.791 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.864 -12.392 0.711 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.660 -15.003 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.718 -12.383 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.050 -12.789 -0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.376 -15.519 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.857 -14.557 -2.019 1.00 0.00 H new ATOM 388 N GLU A 26 -2.568 -11.189 -2.484 1.00 0.00 N ATOM 389 CA GLU A 26 -2.124 -10.925 -3.847 1.00 0.00 C ATOM 390 C GLU A 26 -0.648 -11.273 -4.016 1.00 0.00 C ATOM 391 O GLU A 26 0.192 -10.867 -3.213 1.00 0.00 O ATOM 392 CB GLU A 26 -2.357 -9.456 -4.208 1.00 0.00 C ATOM 393 CG GLU A 26 -3.815 -9.035 -4.135 1.00 0.00 C ATOM 394 CD GLU A 26 -4.681 -9.753 -5.153 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.298 -9.785 -6.341 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.741 -10.283 -4.760 1.00 0.00 O ATOM 0 H GLU A 26 -2.940 -10.374 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.707 -11.554 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.772 -8.828 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.985 -9.275 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.197 -9.234 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.887 -7.959 -4.296 1.00 0.00 H new ATOM 403 N GLU A 27 -0.340 -12.029 -5.066 1.00 0.00 N ATOM 404 CA GLU A 27 1.034 -12.433 -5.339 1.00 0.00 C ATOM 405 C GLU A 27 1.980 -11.239 -5.249 1.00 0.00 C ATOM 406 O GLU A 27 3.158 -11.390 -4.924 1.00 0.00 O ATOM 407 CB GLU A 27 1.135 -13.074 -6.725 1.00 0.00 C ATOM 408 CG GLU A 27 0.703 -12.154 -7.854 1.00 0.00 C ATOM 409 CD GLU A 27 -0.793 -11.909 -7.867 1.00 0.00 C ATOM 410 OE1 GLU A 27 -1.557 -12.896 -7.829 1.00 0.00 O ATOM 411 OE2 GLU A 27 -1.200 -10.729 -7.916 1.00 0.00 O ATOM 0 H GLU A 27 -1.023 -12.373 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 27 1.327 -13.165 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.165 -13.387 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.520 -13.974 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.223 -11.201 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.005 -12.588 -8.807 1.00 0.00 H new ATOM 418 N ASP A 28 1.456 -10.053 -5.539 1.00 0.00 N ATOM 419 CA ASP A 28 2.253 -8.833 -5.491 1.00 0.00 C ATOM 420 C ASP A 28 2.694 -8.528 -4.063 1.00 0.00 C ATOM 421 O ASP A 28 3.802 -8.045 -3.834 1.00 0.00 O ATOM 422 CB ASP A 28 1.457 -7.656 -6.055 1.00 0.00 C ATOM 423 CG ASP A 28 0.977 -7.907 -7.471 1.00 0.00 C ATOM 424 OD1 ASP A 28 1.815 -8.252 -8.329 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.238 -7.758 -7.720 1.00 0.00 O ATOM 0 H ASP A 28 0.483 -9.911 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 28 3.143 -8.985 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.598 -7.461 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.078 -6.760 -6.038 1.00 0.00 H new ATOM 430 N ASN A 29 1.817 -8.811 -3.105 1.00 0.00 N ATOM 431 CA ASN A 29 2.114 -8.565 -1.699 1.00 0.00 C ATOM 432 C ASN A 29 2.174 -9.875 -0.918 1.00 0.00 C ATOM 433 O ASN A 29 1.876 -9.913 0.276 1.00 0.00 O ATOM 434 CB ASN A 29 1.060 -7.641 -1.087 1.00 0.00 C ATOM 435 CG ASN A 29 0.722 -6.471 -1.990 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.351 -6.274 -3.030 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.274 -5.687 -1.595 1.00 0.00 N ATOM 0 H ASN A 29 0.895 -9.211 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 29 3.089 -8.082 -1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.154 -8.212 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.422 -7.265 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.546 -4.883 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.768 -5.888 -0.725 1.00 0.00 H new ATOM 444 N LYS A 30 2.561 -10.947 -1.601 1.00 0.00 N ATOM 445 CA LYS A 30 2.662 -12.259 -0.973 1.00 0.00 C ATOM 446 C LYS A 30 4.004 -12.422 -0.266 1.00 0.00 C ATOM 447 O LYS A 30 4.095 -13.081 0.770 1.00 0.00 O ATOM 448 CB LYS A 30 2.487 -13.363 -2.018 1.00 0.00 C ATOM 449 CG LYS A 30 1.048 -13.819 -2.186 1.00 0.00 C ATOM 450 CD LYS A 30 0.968 -15.165 -2.886 1.00 0.00 C ATOM 451 CE LYS A 30 -0.430 -15.757 -2.799 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.282 -15.338 -3.946 1.00 0.00 N ATOM 0 H LYS A 30 2.810 -10.933 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 30 1.868 -12.341 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.860 -13.006 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.100 -14.219 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.571 -13.887 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.494 -13.076 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.251 -15.049 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.684 -15.853 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.363 -16.845 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.899 -15.446 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.847 -16.148 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.917 -14.572 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.678 -15.002 -4.723 1.00 0.00 H new ATOM 466 N TYR A 31 5.043 -11.818 -0.832 1.00 0.00 N ATOM 467 CA TYR A 31 6.380 -11.897 -0.256 1.00 0.00 C ATOM 468 C TYR A 31 6.943 -10.504 0.007 1.00 0.00 C ATOM 469 O TYR A 31 6.512 -9.522 -0.598 1.00 0.00 O ATOM 470 CB TYR A 31 7.315 -12.669 -1.189 1.00 0.00 C ATOM 471 CG TYR A 31 6.649 -13.836 -1.882 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.643 -15.101 -1.306 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.027 -13.676 -3.114 1.00 0.00 C ATOM 474 CE1 TYR A 31 6.037 -16.170 -1.936 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.418 -14.739 -3.751 1.00 0.00 C ATOM 476 CZ TYR A 31 5.425 -15.985 -3.158 1.00 0.00 C ATOM 477 OH TYR A 31 4.820 -17.047 -3.789 1.00 0.00 O ATOM 0 H TYR A 31 4.985 -11.268 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 31 6.308 -12.425 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.708 -11.986 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.166 -13.035 -0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.121 -15.250 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.020 -12.703 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.042 -17.146 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.939 -14.596 -4.708 1.00 0.00 H new ATOM 0 HH TYR A 31 4.436 -16.747 -4.639 1.00 0.00 H new ATOM 487 N CYS A 32 7.911 -10.426 0.914 1.00 0.00 N ATOM 488 CA CYS A 32 8.536 -9.154 1.259 1.00 0.00 C ATOM 489 C CYS A 32 8.830 -8.335 0.006 1.00 0.00 C ATOM 490 O CYS A 32 8.875 -8.870 -1.102 1.00 0.00 O ATOM 491 CB CYS A 32 9.829 -9.393 2.041 1.00 0.00 C ATOM 492 SG CYS A 32 10.487 -7.907 2.862 1.00 0.00 S ATOM 0 H CYS A 32 8.280 -11.229 1.424 1.00 0.00 H new ATOM 0 HA CYS A 32 7.840 -8.593 1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.649 -10.161 2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.585 -9.784 1.361 1.00 0.00 H new ATOM 497 N ALA A 33 9.029 -7.034 0.190 1.00 0.00 N ATOM 498 CA ALA A 33 9.321 -6.141 -0.924 1.00 0.00 C ATOM 499 C ALA A 33 10.825 -5.982 -1.122 1.00 0.00 C ATOM 500 O ALA A 33 11.271 -5.259 -2.012 1.00 0.00 O ATOM 501 CB ALA A 33 8.671 -4.784 -0.698 1.00 0.00 C ATOM 0 H ALA A 33 8.993 -6.575 1.100 1.00 0.00 H new ATOM 0 HA ALA A 33 8.907 -6.584 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.898 -4.128 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.591 -4.907 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.058 -4.344 0.221 1.00 0.00 H new ATOM 507 N ASP A 34 11.601 -6.662 -0.285 1.00 0.00 N ATOM 508 CA ASP A 34 13.056 -6.597 -0.368 1.00 0.00 C ATOM 509 C ASP A 34 13.658 -7.996 -0.459 1.00 0.00 C ATOM 510 O ASP A 34 14.396 -8.306 -1.395 1.00 0.00 O ATOM 511 CB ASP A 34 13.625 -5.861 0.846 1.00 0.00 C ATOM 512 CG ASP A 34 12.841 -4.608 1.184 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.704 -3.737 0.300 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.362 -4.500 2.332 1.00 0.00 O ATOM 0 H ASP A 34 11.247 -7.264 0.458 1.00 0.00 H new ATOM 0 HA ASP A 34 13.320 -6.048 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.623 -6.530 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.664 -5.595 0.651 1.00 0.00 H new ATOM 519 N CYS A 35 13.340 -8.836 0.520 1.00 0.00 N ATOM 520 CA CYS A 35 13.850 -10.201 0.552 1.00 0.00 C ATOM 521 C CYS A 35 12.796 -11.188 0.058 1.00 0.00 C ATOM 522 O CYS A 35 13.001 -12.401 0.097 1.00 0.00 O ATOM 523 CB CYS A 35 14.287 -10.572 1.971 1.00 0.00 C ATOM 524 SG CYS A 35 12.910 -10.734 3.153 1.00 0.00 S ATOM 0 H CYS A 35 12.731 -8.595 1.302 1.00 0.00 H new ATOM 0 HA CYS A 35 14.712 -10.255 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.835 -11.513 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.979 -9.813 2.337 1.00 0.00 H new ATOM 529 N GLU A 36 11.668 -10.658 -0.405 1.00 0.00 N ATOM 530 CA GLU A 36 10.582 -11.492 -0.905 1.00 0.00 C ATOM 531 C GLU A 36 10.393 -12.725 -0.026 1.00 0.00 C ATOM 532 O GLU A 36 10.198 -13.833 -0.526 1.00 0.00 O ATOM 533 CB GLU A 36 10.860 -11.918 -2.348 1.00 0.00 C ATOM 534 CG GLU A 36 12.067 -12.830 -2.492 1.00 0.00 C ATOM 535 CD GLU A 36 12.110 -13.533 -3.834 1.00 0.00 C ATOM 536 OE1 GLU A 36 12.179 -12.835 -4.867 1.00 0.00 O ATOM 537 OE2 GLU A 36 12.075 -14.782 -3.851 1.00 0.00 O ATOM 0 H GLU A 36 11.483 -9.656 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 36 9.664 -10.904 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.981 -12.427 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.013 -11.028 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.977 -12.245 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.052 -13.575 -1.696 1.00 0.00 H new ATOM 544 N ALA A 37 10.455 -12.524 1.286 1.00 0.00 N ATOM 545 CA ALA A 37 10.290 -13.618 2.235 1.00 0.00 C ATOM 546 C ALA A 37 8.913 -14.259 2.100 1.00 0.00 C ATOM 547 O ALA A 37 8.013 -13.697 1.476 1.00 0.00 O ATOM 548 CB ALA A 37 10.505 -13.120 3.657 1.00 0.00 C ATOM 0 H ALA A 37 10.618 -11.614 1.716 1.00 0.00 H new ATOM 0 HA ALA A 37 11.039 -14.377 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.379 -13.947 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.513 -12.715 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.778 -12.340 3.883 1.00 0.00 H new ATOM 554 N LYS A 38 8.755 -15.440 2.688 1.00 0.00 N ATOM 555 CA LYS A 38 7.487 -16.159 2.634 1.00 0.00 C ATOM 556 C LYS A 38 6.615 -15.814 3.837 1.00 0.00 C ATOM 557 O LYS A 38 6.868 -16.269 4.951 1.00 0.00 O ATOM 558 CB LYS A 38 7.735 -17.668 2.587 1.00 0.00 C ATOM 559 CG LYS A 38 6.682 -18.433 1.804 1.00 0.00 C ATOM 560 CD LYS A 38 7.081 -19.886 1.605 1.00 0.00 C ATOM 561 CE LYS A 38 5.890 -20.740 1.198 1.00 0.00 C ATOM 562 NZ LYS A 38 5.007 -21.049 2.357 1.00 0.00 N ATOM 0 H LYS A 38 9.490 -15.920 3.208 1.00 0.00 H new ATOM 0 HA LYS A 38 6.963 -15.854 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.713 -17.853 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.770 -18.054 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.729 -18.385 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.533 -17.959 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.855 -19.950 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.511 -20.276 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.315 -20.220 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.245 -21.670 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.275 -21.728 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.574 -21.461 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.554 -20.174 2.691 1.00 0.00 H new ATOM 576 N GLY A 39 5.584 -15.006 3.602 1.00 0.00 N ATOM 577 CA GLY A 39 4.689 -14.615 4.676 1.00 0.00 C ATOM 578 C GLY A 39 5.108 -13.317 5.336 1.00 0.00 C ATOM 579 O GLY A 39 5.391 -13.268 6.534 1.00 0.00 O ATOM 0 H GLY A 39 5.353 -14.616 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.678 -14.509 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.658 -15.406 5.425 1.00 0.00 H new ATOM 583 N PRO A 40 5.155 -12.234 4.546 1.00 0.00 N ATOM 584 CA PRO A 40 5.543 -10.910 5.040 1.00 0.00 C ATOM 585 C PRO A 40 4.495 -10.307 5.969 1.00 0.00 C ATOM 586 O PRO A 40 3.647 -9.525 5.538 1.00 0.00 O ATOM 587 CB PRO A 40 5.667 -10.077 3.761 1.00 0.00 C ATOM 588 CG PRO A 40 4.773 -10.754 2.780 1.00 0.00 C ATOM 589 CD PRO A 40 4.832 -12.220 3.109 1.00 0.00 C ATOM 0 HA PRO A 40 6.458 -10.948 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.360 -9.045 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.697 -10.049 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.753 -10.378 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.104 -10.570 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.883 -12.716 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.593 -12.734 2.521 1.00 0.00 H new ATOM 597 N ARG A 41 4.559 -10.676 7.244 1.00 0.00 N ATOM 598 CA ARG A 41 3.614 -10.172 8.233 1.00 0.00 C ATOM 599 C ARG A 41 3.668 -8.649 8.310 1.00 0.00 C ATOM 600 O ARG A 41 2.783 -7.961 7.801 1.00 0.00 O ATOM 601 CB ARG A 41 3.913 -10.773 9.608 1.00 0.00 C ATOM 602 CG ARG A 41 3.272 -10.013 10.757 1.00 0.00 C ATOM 603 CD ARG A 41 1.766 -10.223 10.793 1.00 0.00 C ATOM 604 NE ARG A 41 1.406 -11.502 11.399 1.00 0.00 N ATOM 605 CZ ARG A 41 1.258 -12.627 10.708 1.00 0.00 C ATOM 606 NH1 ARG A 41 1.440 -12.631 9.394 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.929 -13.751 11.330 1.00 0.00 N ATOM 0 H ARG A 41 5.255 -11.322 7.616 1.00 0.00 H new ATOM 0 HA ARG A 41 2.611 -10.468 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.565 -11.806 9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.992 -10.798 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.709 -10.341 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.490 -8.950 10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.300 -9.412 11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.369 -10.178 9.779 1.00 0.00 H new ATOM 0 HE ARG A 41 1.260 -11.533 12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.694 -11.769 8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.326 -13.496 8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.789 -13.753 12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.816 -14.614 10.798 1.00 0.00 H new ATOM 621 N TRP A 42 4.710 -8.130 8.948 1.00 0.00 N ATOM 622 CA TRP A 42 4.879 -6.689 9.091 1.00 0.00 C ATOM 623 C TRP A 42 4.631 -5.977 7.766 1.00 0.00 C ATOM 624 O TRP A 42 4.618 -6.605 6.707 1.00 0.00 O ATOM 625 CB TRP A 42 6.284 -6.367 9.602 1.00 0.00 C ATOM 626 CG TRP A 42 6.572 -6.948 10.954 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.933 -8.235 11.233 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.522 -6.262 12.209 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.110 -8.390 12.586 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.865 -7.194 13.208 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.223 -4.950 12.587 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.914 -6.855 14.557 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.273 -4.615 13.927 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.617 -5.564 14.899 1.00 0.00 C ATOM 0 H TRP A 42 5.451 -8.686 9.375 1.00 0.00 H new ATOM 0 HA TRP A 42 4.146 -6.333 9.816 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.017 -6.743 8.889 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.408 -5.285 9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.061 -9.016 10.498 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.380 -9.256 13.053 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.958 -4.211 11.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.177 -7.586 15.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.043 -3.604 14.230 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.648 -5.271 15.938 1.00 0.00 H new ATOM 645 N ALA A 43 4.436 -4.664 7.831 1.00 0.00 N ATOM 646 CA ALA A 43 4.191 -3.868 6.635 1.00 0.00 C ATOM 647 C ALA A 43 4.466 -2.390 6.894 1.00 0.00 C ATOM 648 O ALA A 43 3.860 -1.781 7.775 1.00 0.00 O ATOM 649 CB ALA A 43 2.760 -4.064 6.155 1.00 0.00 C ATOM 0 H ALA A 43 4.443 -4.129 8.700 1.00 0.00 H new ATOM 0 HA ALA A 43 4.874 -4.207 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.591 -3.464 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.595 -5.116 5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.068 -3.753 6.937 1.00 0.00 H new ATOM 655 N SER A 44 5.384 -1.820 6.120 1.00 0.00 N ATOM 656 CA SER A 44 5.743 -0.415 6.269 1.00 0.00 C ATOM 657 C SER A 44 4.713 0.484 5.591 1.00 0.00 C ATOM 658 O SER A 44 4.767 0.704 4.381 1.00 0.00 O ATOM 659 CB SER A 44 7.131 -0.156 5.678 1.00 0.00 C ATOM 660 OG SER A 44 8.141 -0.320 6.658 1.00 0.00 O ATOM 0 H SER A 44 5.892 -2.310 5.384 1.00 0.00 H new ATOM 0 HA SER A 44 5.759 -0.180 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.310 -0.840 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.174 0.855 5.272 1.00 0.00 H new ATOM 0 HG SER A 44 9.022 -0.226 6.239 1.00 0.00 H new ATOM 666 N TRP A 45 3.777 0.999 6.380 1.00 0.00 N ATOM 667 CA TRP A 45 2.734 1.874 5.856 1.00 0.00 C ATOM 668 C TRP A 45 3.337 3.132 5.242 1.00 0.00 C ATOM 669 O TRP A 45 3.019 3.494 4.110 1.00 0.00 O ATOM 670 CB TRP A 45 1.753 2.253 6.967 1.00 0.00 C ATOM 671 CG TRP A 45 2.407 2.937 8.129 1.00 0.00 C ATOM 672 CD1 TRP A 45 2.784 2.366 9.311 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.759 4.322 8.220 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.349 3.313 10.131 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.347 4.520 9.485 1.00 0.00 C ATOM 676 CE3 TRP A 45 2.638 5.414 7.356 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.809 5.765 9.904 1.00 0.00 C ATOM 678 CZ3 TRP A 45 3.096 6.648 7.773 1.00 0.00 C ATOM 679 CH2 TRP A 45 3.677 6.816 9.038 1.00 0.00 C ATOM 0 H TRP A 45 3.719 0.826 7.384 1.00 0.00 H new ATOM 0 HA TRP A 45 2.198 1.333 5.076 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.984 2.907 6.555 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.250 1.353 7.321 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.657 1.324 9.564 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.711 3.144 11.069 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.194 5.295 6.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.256 5.896 10.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.005 7.498 7.113 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.027 7.794 9.334 1.00 0.00 H new ATOM 690 N ASN A 46 4.208 3.795 5.995 1.00 0.00 N ATOM 691 CA ASN A 46 4.855 5.014 5.523 1.00 0.00 C ATOM 692 C ASN A 46 5.251 4.886 4.056 1.00 0.00 C ATOM 693 O ASN A 46 5.055 5.811 3.267 1.00 0.00 O ATOM 694 CB ASN A 46 6.091 5.321 6.372 1.00 0.00 C ATOM 695 CG ASN A 46 6.773 6.609 5.953 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.647 6.519 4.957 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 6.517 7.673 6.519 1.00 0.00 N flip ATOM 0 H ASN A 46 4.482 3.509 6.935 1.00 0.00 H new ATOM 0 HA ASN A 46 4.144 5.834 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.800 5.391 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.798 4.495 6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.838 7.695 7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.984 8.531 6.227 1.00 0.00 H new ATOM 704 N ILE A 47 5.809 3.735 3.697 1.00 0.00 N ATOM 705 CA ILE A 47 6.231 3.486 2.324 1.00 0.00 C ATOM 706 C ILE A 47 5.071 2.974 1.477 1.00 0.00 C ATOM 707 O ILE A 47 4.832 3.462 0.373 1.00 0.00 O ATOM 708 CB ILE A 47 7.384 2.466 2.265 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.612 3.010 2.997 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.725 2.135 0.820 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.710 1.985 3.180 1.00 0.00 C ATOM 0 H ILE A 47 5.979 2.960 4.338 1.00 0.00 H new ATOM 0 HA ILE A 47 6.578 4.438 1.923 1.00 0.00 H new ATOM 0 HB ILE A 47 7.065 1.549 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.009 3.860 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.307 3.382 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.541 1.413 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.850 1.710 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.028 3.044 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.549 2.440 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.330 1.145 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.043 1.630 2.205 1.00 0.00 H new ATOM 723 N GLY A 48 4.351 1.987 2.002 1.00 0.00 N ATOM 724 CA GLY A 48 3.223 1.426 1.282 1.00 0.00 C ATOM 725 C GLY A 48 3.518 0.047 0.726 1.00 0.00 C ATOM 726 O GLY A 48 3.199 -0.247 -0.426 1.00 0.00 O ATOM 0 H GLY A 48 4.529 1.566 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.362 1.369 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.950 2.093 0.465 1.00 0.00 H new ATOM 730 N VAL A 49 4.131 -0.801 1.546 1.00 0.00 N ATOM 731 CA VAL A 49 4.470 -2.156 1.130 1.00 0.00 C ATOM 732 C VAL A 49 4.565 -3.092 2.330 1.00 0.00 C ATOM 733 O VAL A 49 4.647 -2.645 3.474 1.00 0.00 O ATOM 734 CB VAL A 49 5.803 -2.190 0.359 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.704 -1.370 -0.918 1.00 0.00 C ATOM 736 CG2 VAL A 49 6.939 -1.688 1.238 1.00 0.00 C ATOM 0 H VAL A 49 4.403 -0.573 2.502 1.00 0.00 H new ATOM 0 HA VAL A 49 3.670 -2.494 0.472 1.00 0.00 H new ATOM 0 HB VAL A 49 6.016 -3.223 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.656 -1.406 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.918 -1.779 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.467 -0.336 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.873 -1.719 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.734 -0.663 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.024 -2.322 2.120 1.00 0.00 H new ATOM 746 N PHE A 50 4.554 -4.393 2.060 1.00 0.00 N ATOM 747 CA PHE A 50 4.639 -5.393 3.118 1.00 0.00 C ATOM 748 C PHE A 50 6.057 -5.943 3.235 1.00 0.00 C ATOM 749 O PHE A 50 6.629 -6.427 2.258 1.00 0.00 O ATOM 750 CB PHE A 50 3.657 -6.536 2.849 1.00 0.00 C ATOM 751 CG PHE A 50 2.218 -6.107 2.867 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.596 -5.672 1.708 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.487 -6.140 4.043 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.272 -5.276 1.722 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.162 -5.746 4.064 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.446 -5.314 2.901 1.00 0.00 C ATOM 0 H PHE A 50 4.487 -4.779 1.118 1.00 0.00 H new ATOM 0 HA PHE A 50 4.377 -4.911 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.884 -6.978 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.805 -7.315 3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.152 -5.642 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.958 -6.478 4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.201 -4.937 0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.397 -5.776 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.481 -5.006 2.914 1.00 0.00 H new ATOM 766 N ILE A 51 6.619 -5.864 4.436 1.00 0.00 N ATOM 767 CA ILE A 51 7.970 -6.353 4.681 1.00 0.00 C ATOM 768 C ILE A 51 8.003 -7.302 5.875 1.00 0.00 C ATOM 769 O ILE A 51 7.143 -7.241 6.754 1.00 0.00 O ATOM 770 CB ILE A 51 8.952 -5.194 4.934 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.420 -4.278 6.038 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.184 -4.408 3.652 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.440 -3.279 6.538 1.00 0.00 C ATOM 0 H ILE A 51 6.160 -5.466 5.255 1.00 0.00 H new ATOM 0 HA ILE A 51 8.278 -6.890 3.784 1.00 0.00 H new ATOM 0 HB ILE A 51 9.905 -5.609 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.549 -3.740 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.082 -4.889 6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.880 -3.592 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.601 -5.068 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.237 -4.000 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.994 -2.663 7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.302 -3.810 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.761 -2.643 5.713 1.00 0.00 H new ATOM 785 N CYS A 52 9.003 -8.177 5.901 1.00 0.00 N ATOM 786 CA CYS A 52 9.150 -9.138 6.987 1.00 0.00 C ATOM 787 C CYS A 52 9.660 -8.455 8.252 1.00 0.00 C ATOM 788 O CYS A 52 10.059 -7.291 8.223 1.00 0.00 O ATOM 789 CB CYS A 52 10.109 -10.259 6.577 1.00 0.00 C ATOM 790 SG CYS A 52 11.801 -9.693 6.211 1.00 0.00 S ATOM 0 H CYS A 52 9.724 -8.240 5.182 1.00 0.00 H new ATOM 0 HA CYS A 52 8.169 -9.566 7.196 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.150 -10.998 7.377 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.708 -10.763 5.698 1.00 0.00 H new ATOM 795 N ILE A 53 9.643 -9.188 9.361 1.00 0.00 N ATOM 796 CA ILE A 53 10.105 -8.653 10.636 1.00 0.00 C ATOM 797 C ILE A 53 11.593 -8.326 10.588 1.00 0.00 C ATOM 798 O ILE A 53 12.048 -7.364 11.208 1.00 0.00 O ATOM 799 CB ILE A 53 9.844 -9.641 11.788 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.342 -9.058 13.112 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.519 -10.975 11.504 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.640 -9.627 14.325 1.00 0.00 C ATOM 0 H ILE A 53 9.315 -10.153 9.402 1.00 0.00 H new ATOM 0 HA ILE A 53 9.541 -7.738 10.818 1.00 0.00 H new ATOM 0 HB ILE A 53 8.770 -9.808 11.867 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.412 -9.243 13.202 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.206 -7.977 13.098 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.326 -11.663 12.327 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.122 -11.394 10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.594 -10.824 11.402 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.044 -9.168 15.228 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.572 -9.418 14.259 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.797 -10.705 14.364 1.00 0.00 H new ATOM 814 N ARG A 54 12.347 -9.131 9.847 1.00 0.00 N ATOM 815 CA ARG A 54 13.785 -8.927 9.718 1.00 0.00 C ATOM 816 C ARG A 54 14.087 -7.564 9.101 1.00 0.00 C ATOM 817 O ARG A 54 14.856 -6.777 9.655 1.00 0.00 O ATOM 818 CB ARG A 54 14.404 -10.034 8.863 1.00 0.00 C ATOM 819 CG ARG A 54 15.903 -9.884 8.664 1.00 0.00 C ATOM 820 CD ARG A 54 16.220 -9.060 7.425 1.00 0.00 C ATOM 821 NE ARG A 54 15.983 -9.810 6.194 1.00 0.00 N ATOM 822 CZ ARG A 54 16.845 -10.685 5.689 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.996 -10.919 6.305 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.558 -11.328 4.564 1.00 0.00 N ATOM 0 H ARG A 54 11.986 -9.931 9.327 1.00 0.00 H new ATOM 0 HA ARG A 54 14.223 -8.960 10.716 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.203 -10.998 9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.916 -10.044 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.342 -9.408 9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.360 -10.870 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.608 -8.158 7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.261 -8.739 7.459 1.00 0.00 H new ATOM 0 HE ARG A 54 15.107 -9.653 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.221 -10.426 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.656 -11.592 5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.675 -11.150 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.221 -12.000 4.177 1.00 0.00 H new ATOM 838 N CYS A 55 13.478 -7.293 7.952 1.00 0.00 N ATOM 839 CA CYS A 55 13.682 -6.027 7.259 1.00 0.00 C ATOM 840 C CYS A 55 13.155 -4.860 8.089 1.00 0.00 C ATOM 841 O CYS A 55 13.829 -3.844 8.249 1.00 0.00 O ATOM 842 CB CYS A 55 12.989 -6.051 5.895 1.00 0.00 C ATOM 843 SG CYS A 55 13.794 -7.132 4.670 1.00 0.00 S ATOM 0 H CYS A 55 12.839 -7.933 7.481 1.00 0.00 H new ATOM 0 HA CYS A 55 14.754 -5.891 7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.958 -6.377 6.029 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.953 -5.036 5.500 1.00 0.00 H new ATOM 848 N ALA A 56 11.945 -5.016 8.616 1.00 0.00 N ATOM 849 CA ALA A 56 11.327 -3.978 9.432 1.00 0.00 C ATOM 850 C ALA A 56 12.333 -3.376 10.408 1.00 0.00 C ATOM 851 O ALA A 56 12.436 -2.157 10.535 1.00 0.00 O ATOM 852 CB ALA A 56 10.131 -4.540 10.185 1.00 0.00 C ATOM 0 H ALA A 56 11.373 -5.852 8.492 1.00 0.00 H new ATOM 0 HA ALA A 56 10.984 -3.185 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.680 -3.754 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.397 -4.916 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.458 -5.353 10.833 1.00 0.00 H new ATOM 858 N GLY A 57 13.073 -4.240 11.096 1.00 0.00 N ATOM 859 CA GLY A 57 14.061 -3.774 12.052 1.00 0.00 C ATOM 860 C GLY A 57 15.045 -2.798 11.440 1.00 0.00 C ATOM 861 O GLY A 57 15.390 -1.787 12.053 1.00 0.00 O ATOM 0 H GLY A 57 13.006 -5.254 11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.554 -3.296 12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.605 -4.629 12.454 1.00 0.00 H new ATOM 865 N ILE A 58 15.499 -3.099 10.228 1.00 0.00 N ATOM 866 CA ILE A 58 16.450 -2.241 9.533 1.00 0.00 C ATOM 867 C ILE A 58 15.785 -0.952 9.062 1.00 0.00 C ATOM 868 O ILE A 58 16.417 0.104 9.014 1.00 0.00 O ATOM 869 CB ILE A 58 17.073 -2.956 8.321 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.931 -4.136 8.782 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.903 -1.981 7.499 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.175 -5.444 8.848 1.00 0.00 C ATOM 0 H ILE A 58 15.223 -3.931 9.707 1.00 0.00 H new ATOM 0 HA ILE A 58 17.238 -2.001 10.247 1.00 0.00 H new ATOM 0 HB ILE A 58 16.269 -3.339 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.776 -4.248 8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.342 -3.913 9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.337 -2.502 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.266 -1.171 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.701 -1.571 8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.846 -6.236 9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.346 -5.350 9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.787 -5.690 7.860 1.00 0.00 H new ATOM 884 N HIS A 59 14.504 -1.045 8.718 1.00 0.00 N ATOM 885 CA HIS A 59 13.751 0.114 8.252 1.00 0.00 C ATOM 886 C HIS A 59 13.724 1.207 9.317 1.00 0.00 C ATOM 887 O HIS A 59 13.941 2.382 9.020 1.00 0.00 O ATOM 888 CB HIS A 59 12.324 -0.292 7.885 1.00 0.00 C ATOM 889 CG HIS A 59 12.168 -0.706 6.454 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.421 0.007 5.541 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.671 -1.767 5.780 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.469 -0.598 4.368 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.222 -1.677 4.486 1.00 0.00 N ATOM 0 H HIS A 59 13.966 -1.911 8.753 1.00 0.00 H new ATOM 0 HA HIS A 59 14.248 0.507 7.365 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.012 -1.115 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.654 0.543 8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.307 -2.540 6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.976 -0.267 3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.435 -2.336 3.737 1.00 0.00 H new ATOM 901 N ARG A 60 13.455 0.812 10.557 1.00 0.00 N ATOM 902 CA ARG A 60 13.397 1.758 11.665 1.00 0.00 C ATOM 903 C ARG A 60 14.622 2.668 11.667 1.00 0.00 C ATOM 904 O ARG A 60 14.501 3.888 11.770 1.00 0.00 O ATOM 905 CB ARG A 60 13.301 1.011 12.996 1.00 0.00 C ATOM 906 CG ARG A 60 12.383 -0.200 12.951 1.00 0.00 C ATOM 907 CD ARG A 60 12.119 -0.751 14.343 1.00 0.00 C ATOM 908 NE ARG A 60 11.085 0.006 15.044 1.00 0.00 N ATOM 909 CZ ARG A 60 11.340 1.056 15.818 1.00 0.00 C ATOM 910 NH1 ARG A 60 12.588 1.470 15.988 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.346 1.693 16.422 1.00 0.00 N ATOM 0 H ARG A 60 13.274 -0.157 10.820 1.00 0.00 H new ATOM 0 HA ARG A 60 12.508 2.375 11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.299 0.689 13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.945 1.698 13.763 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.438 0.076 12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.832 -0.976 12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.816 -1.795 14.268 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.042 -0.728 14.923 1.00 0.00 H new ATOM 0 HE ARG A 60 10.114 -0.287 14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.355 0.983 15.524 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.781 2.276 16.582 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.385 1.377 16.293 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.543 2.499 17.016 1.00 0.00 H new ATOM 925 N ASN A 61 15.801 2.065 11.553 1.00 0.00 N ATOM 926 CA ASN A 61 17.048 2.821 11.543 1.00 0.00 C ATOM 927 C ASN A 61 16.972 3.983 10.558 1.00 0.00 C ATOM 928 O ASN A 61 17.271 5.126 10.905 1.00 0.00 O ATOM 929 CB ASN A 61 18.220 1.906 11.180 1.00 0.00 C ATOM 930 CG ASN A 61 18.729 1.118 12.372 1.00 0.00 C ATOM 931 OD1 ASN A 61 19.278 1.686 13.316 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.549 -0.197 12.332 1.00 0.00 N ATOM 0 H ASN A 61 15.919 1.056 11.466 1.00 0.00 H new ATOM 0 HA ASN A 61 17.207 3.225 12.543 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.909 1.215 10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.033 2.506 10.771 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.871 -0.780 13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.088 -0.625 11.529 1.00 0.00 H new ATOM 939 N LEU A 62 16.569 3.684 9.328 1.00 0.00 N ATOM 940 CA LEU A 62 16.452 4.704 8.291 1.00 0.00 C ATOM 941 C LEU A 62 15.999 6.034 8.885 1.00 0.00 C ATOM 942 O LEU A 62 16.641 7.064 8.686 1.00 0.00 O ATOM 943 CB LEU A 62 15.467 4.251 7.212 1.00 0.00 C ATOM 944 CG LEU A 62 15.683 2.845 6.653 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.799 2.612 5.437 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.147 2.631 6.298 1.00 0.00 C ATOM 0 H LEU A 62 16.318 2.743 9.024 1.00 0.00 H new ATOM 0 HA LEU A 62 17.435 4.845 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.459 4.306 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.513 4.960 6.385 1.00 0.00 H new ATOM 0 HG LEU A 62 15.407 2.123 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.967 1.606 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.753 2.722 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.044 3.341 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.282 1.625 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.450 3.360 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.760 2.754 7.191 1.00 0.00 H new ATOM 958 N GLY A 63 14.889 6.002 9.616 1.00 0.00 N ATOM 959 CA GLY A 63 14.371 7.211 10.229 1.00 0.00 C ATOM 960 C GLY A 63 12.880 7.379 10.009 1.00 0.00 C ATOM 961 O GLY A 63 12.370 7.099 8.924 1.00 0.00 O ATOM 0 H GLY A 63 14.340 5.161 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.577 7.189 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.895 8.075 9.821 1.00 0.00 H new ATOM 965 N VAL A 64 12.179 7.837 11.041 1.00 0.00 N ATOM 966 CA VAL A 64 10.738 8.042 10.956 1.00 0.00 C ATOM 967 C VAL A 64 10.369 8.839 9.711 1.00 0.00 C ATOM 968 O VAL A 64 9.283 8.673 9.153 1.00 0.00 O ATOM 969 CB VAL A 64 10.201 8.775 12.200 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.480 7.967 13.458 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.810 10.165 12.303 1.00 0.00 C ATOM 0 H VAL A 64 12.586 8.073 11.946 1.00 0.00 H new ATOM 0 HA VAL A 64 10.280 7.054 10.900 1.00 0.00 H new ATOM 0 HB VAL A 64 9.121 8.883 12.099 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.094 8.501 14.326 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.992 6.995 13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.555 7.825 13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.420 10.669 13.187 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.894 10.082 12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.553 10.741 11.414 1.00 0.00 H new ATOM 981 N HIS A 65 11.279 9.706 9.278 1.00 0.00 N ATOM 982 CA HIS A 65 11.050 10.530 8.097 1.00 0.00 C ATOM 983 C HIS A 65 11.091 9.683 6.828 1.00 0.00 C ATOM 984 O HIS A 65 10.372 9.954 5.866 1.00 0.00 O ATOM 985 CB HIS A 65 12.094 11.644 8.015 1.00 0.00 C ATOM 986 CG HIS A 65 13.494 11.140 7.840 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.189 10.487 8.836 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.328 11.196 6.775 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.390 10.165 8.392 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.500 10.583 7.144 1.00 0.00 N ATOM 0 H HIS A 65 12.182 9.856 9.728 1.00 0.00 H new ATOM 0 HA HIS A 65 10.060 10.977 8.183 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.847 12.302 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.044 12.246 8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.112 11.640 5.814 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.153 9.647 8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.322 10.469 6.551 1.00 0.00 H new ATOM 998 N ILE A 66 11.937 8.659 6.833 1.00 0.00 N ATOM 999 CA ILE A 66 12.071 7.774 5.683 1.00 0.00 C ATOM 1000 C ILE A 66 11.013 6.676 5.708 1.00 0.00 C ATOM 1001 O ILE A 66 10.380 6.387 4.693 1.00 0.00 O ATOM 1002 CB ILE A 66 13.467 7.124 5.632 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.532 8.176 5.314 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.494 6.006 4.601 1.00 0.00 C ATOM 1005 CD1 ILE A 66 15.868 7.901 5.967 1.00 0.00 C ATOM 0 H ILE A 66 12.540 8.422 7.621 1.00 0.00 H new ATOM 0 HA ILE A 66 11.933 8.389 4.794 1.00 0.00 H new ATOM 0 HB ILE A 66 13.688 6.695 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.669 8.228 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.173 9.153 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.487 5.557 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.759 5.247 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.256 6.412 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.573 8.687 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.746 7.879 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.249 6.939 5.625 1.00 0.00 H new ATOM 1017 N SER A 67 10.825 6.069 6.875 1.00 0.00 N ATOM 1018 CA SER A 67 9.844 5.001 7.033 1.00 0.00 C ATOM 1019 C SER A 67 9.572 4.726 8.508 1.00 0.00 C ATOM 1020 O SER A 67 10.467 4.837 9.347 1.00 0.00 O ATOM 1021 CB SER A 67 10.334 3.725 6.346 1.00 0.00 C ATOM 1022 OG SER A 67 9.526 2.615 6.696 1.00 0.00 O ATOM 0 H SER A 67 11.339 6.298 7.726 1.00 0.00 H new ATOM 0 HA SER A 67 8.914 5.323 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.320 3.862 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.368 3.530 6.630 1.00 0.00 H new ATOM 0 HG SER A 67 9.981 1.786 6.440 1.00 0.00 H new ATOM 1028 N ARG A 68 8.331 4.368 8.818 1.00 0.00 N ATOM 1029 CA ARG A 68 7.939 4.078 10.192 1.00 0.00 C ATOM 1030 C ARG A 68 7.392 2.659 10.314 1.00 0.00 C ATOM 1031 O ARG A 68 6.197 2.425 10.130 1.00 0.00 O ATOM 1032 CB ARG A 68 6.890 5.084 10.669 1.00 0.00 C ATOM 1033 CG ARG A 68 7.479 6.408 11.126 1.00 0.00 C ATOM 1034 CD ARG A 68 6.636 7.045 12.219 1.00 0.00 C ATOM 1035 NE ARG A 68 6.700 8.504 12.180 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.983 9.293 12.971 1.00 0.00 C ATOM 1037 NH1 ARG A 68 5.151 8.767 13.860 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.096 10.611 12.876 1.00 0.00 N ATOM 0 H ARG A 68 7.579 4.272 8.136 1.00 0.00 H new ATOM 0 HA ARG A 68 8.825 4.162 10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.184 5.270 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.325 4.645 11.491 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.493 6.249 11.493 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.550 7.088 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.600 6.725 12.111 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.978 6.693 13.192 1.00 0.00 H new ATOM 0 HE ARG A 68 7.331 8.941 11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.061 7.754 13.937 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.601 9.376 14.467 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.735 11.020 12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.544 11.215 13.485 1.00 0.00 H new ATOM 1052 N VAL A 69 8.274 1.714 10.624 1.00 0.00 N ATOM 1053 CA VAL A 69 7.879 0.318 10.771 1.00 0.00 C ATOM 1054 C VAL A 69 6.756 0.169 11.790 1.00 0.00 C ATOM 1055 O VAL A 69 6.856 0.655 12.917 1.00 0.00 O ATOM 1056 CB VAL A 69 9.069 -0.559 11.202 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.608 -1.979 11.496 1.00 0.00 C ATOM 1058 CG2 VAL A 69 10.151 -0.553 10.132 1.00 0.00 C ATOM 0 H VAL A 69 9.267 1.890 10.778 1.00 0.00 H new ATOM 0 HA VAL A 69 7.526 -0.016 9.795 1.00 0.00 H new ATOM 0 HB VAL A 69 9.491 -0.143 12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.463 -2.584 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.872 -1.963 12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.159 -2.409 10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.984 -1.178 10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.743 -0.944 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.502 0.467 9.975 1.00 0.00 H new ATOM 1068 N LYS A 70 5.686 -0.508 11.389 1.00 0.00 N ATOM 1069 CA LYS A 70 4.542 -0.725 12.267 1.00 0.00 C ATOM 1070 C LYS A 70 3.805 -2.007 11.895 1.00 0.00 C ATOM 1071 O LYS A 70 3.674 -2.339 10.717 1.00 0.00 O ATOM 1072 CB LYS A 70 3.584 0.467 12.194 1.00 0.00 C ATOM 1073 CG LYS A 70 2.166 0.134 12.625 1.00 0.00 C ATOM 1074 CD LYS A 70 1.169 1.151 12.095 1.00 0.00 C ATOM 1075 CE LYS A 70 0.911 2.257 13.107 1.00 0.00 C ATOM 1076 NZ LYS A 70 2.116 3.106 13.321 1.00 0.00 N ATOM 0 H LYS A 70 5.587 -0.917 10.460 1.00 0.00 H new ATOM 0 HA LYS A 70 4.913 -0.824 13.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.967 1.270 12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.565 0.845 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.899 -0.860 12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.113 0.104 13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.547 1.584 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.231 0.651 11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.085 2.879 12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.604 1.817 14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.834 4.005 13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.784 2.609 13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.573 3.298 12.406 1.00 0.00 H new ATOM 1090 N SER A 71 3.325 -2.723 12.907 1.00 0.00 N ATOM 1091 CA SER A 71 2.602 -3.970 12.685 1.00 0.00 C ATOM 1092 C SER A 71 1.439 -3.760 11.721 1.00 0.00 C ATOM 1093 O SER A 71 1.147 -2.635 11.318 1.00 0.00 O ATOM 1094 CB SER A 71 2.085 -4.527 14.013 1.00 0.00 C ATOM 1095 OG SER A 71 3.154 -4.976 14.828 1.00 0.00 O ATOM 0 H SER A 71 3.424 -2.461 13.888 1.00 0.00 H new ATOM 0 HA SER A 71 3.292 -4.688 12.242 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.521 -3.757 14.539 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.398 -5.351 13.822 1.00 0.00 H new ATOM 0 HG SER A 71 4.007 -4.780 14.387 1.00 0.00 H new ATOM 1101 N VAL A 72 0.777 -4.854 11.355 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.355 -4.791 10.439 1.00 0.00 C ATOM 1103 C VAL A 72 -1.666 -5.071 11.166 1.00 0.00 C ATOM 1104 O VAL A 72 -2.639 -4.334 11.018 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.198 -5.796 9.282 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.185 -5.486 8.167 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.231 -5.786 8.759 1.00 0.00 C ATOM 0 H VAL A 72 1.006 -5.794 11.679 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.377 -3.780 10.032 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.416 -6.795 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.059 -6.206 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.202 -5.549 8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.002 -4.480 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.324 -6.502 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.479 -4.788 8.397 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.914 -6.061 9.562 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.683 -6.143 11.952 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.875 -6.521 12.703 1.00 0.00 C ATOM 1119 C ASN A 73 -2.719 -6.175 14.181 1.00 0.00 C ATOM 1120 O ASN A 73 -3.680 -5.776 14.841 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.149 -8.018 12.545 1.00 0.00 C ATOM 1122 CG ASN A 73 -2.500 -8.844 13.638 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -1.295 -9.096 13.608 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -3.297 -9.269 14.611 1.00 0.00 N ATOM 0 H ASN A 73 -0.885 -6.765 12.085 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.719 -5.959 12.303 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.225 -8.190 12.554 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.781 -8.351 11.575 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.916 -9.828 15.374 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.290 -9.036 14.595 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.504 -6.329 14.694 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.221 -6.033 16.094 1.00 0.00 C ATOM 1133 C LEU A 74 -1.344 -4.537 16.370 1.00 0.00 C ATOM 1134 O LEU A 74 -1.710 -4.127 17.471 1.00 0.00 O ATOM 1135 CB LEU A 74 0.181 -6.517 16.466 1.00 0.00 C ATOM 1136 CG LEU A 74 0.485 -7.986 16.167 1.00 0.00 C ATOM 1137 CD1 LEU A 74 1.886 -8.347 16.635 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.549 -8.889 16.825 1.00 0.00 C ATOM 0 H LEU A 74 -0.698 -6.657 14.161 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.954 -6.559 16.705 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.909 -5.901 15.937 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.332 -6.345 17.532 1.00 0.00 H new ATOM 0 HG LEU A 74 0.435 -8.136 15.088 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.084 -9.396 16.414 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.615 -7.723 16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.965 -8.181 17.709 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.317 -9.930 16.602 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.531 -8.737 17.904 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.540 -8.648 16.441 1.00 0.00 H new ATOM 1150 N ASP A 75 -1.038 -3.728 15.361 1.00 0.00 N ATOM 1151 CA ASP A 75 -1.118 -2.278 15.493 1.00 0.00 C ATOM 1152 C ASP A 75 -2.424 -1.750 14.908 1.00 0.00 C ATOM 1153 O ASP A 75 -3.053 -2.407 14.079 1.00 0.00 O ATOM 1154 CB ASP A 75 0.072 -1.616 14.798 1.00 0.00 C ATOM 1155 CG ASP A 75 1.295 -1.539 15.691 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.140 -1.198 16.882 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.408 -1.820 15.198 1.00 0.00 O ATOM 0 H ASP A 75 -0.732 -4.052 14.443 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.092 -2.032 16.555 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.319 -2.175 13.896 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.208 -0.611 14.483 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.824 -0.560 15.345 1.00 0.00 N ATOM 1163 CA GLN A 76 -4.056 0.054 14.865 1.00 0.00 C ATOM 1164 C GLN A 76 -3.786 0.938 13.652 1.00 0.00 C ATOM 1165 O GLN A 76 -2.809 1.686 13.622 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.706 0.879 15.977 1.00 0.00 C ATOM 1167 CG GLN A 76 -3.925 2.130 16.344 1.00 0.00 C ATOM 1168 CD GLN A 76 -4.739 3.107 17.169 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -4.985 2.882 18.354 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -5.163 4.199 16.545 1.00 0.00 N ATOM 0 H GLN A 76 -2.313 -0.003 16.030 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.738 -0.743 14.567 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.710 1.166 15.665 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.814 0.255 16.864 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.032 1.846 16.901 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.588 2.623 15.432 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.936 4.345 15.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.716 4.892 17.049 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.658 0.848 12.655 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.514 1.639 11.438 1.00 0.00 C ATOM 1181 C TRP A 77 -5.730 2.533 11.222 1.00 0.00 C ATOM 1182 O TRP A 77 -6.684 2.500 12.001 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.317 0.724 10.229 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.967 0.072 10.191 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.313 -0.519 11.234 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.108 -0.053 9.053 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.098 -1.003 10.813 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.949 -0.731 9.479 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -2.205 0.340 7.716 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.103 -1.021 8.614 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -1.160 0.051 6.859 1.00 0.00 C ATOM 1192 CH2 TRP A 77 -0.019 -0.625 7.310 1.00 0.00 C ATOM 0 H TRP A 77 -5.473 0.235 12.665 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.635 2.274 11.550 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.086 -0.049 10.238 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.458 1.304 9.317 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.695 -0.595 12.241 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.417 -1.486 11.399 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.081 0.860 7.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.984 -1.540 8.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -1.224 0.352 5.824 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.780 -0.838 6.615 1.00 0.00 H new ATOM 1203 N THR A 78 -5.692 3.331 10.159 1.00 0.00 N ATOM 1204 CA THR A 78 -6.791 4.234 9.842 1.00 0.00 C ATOM 1205 C THR A 78 -6.919 4.436 8.336 1.00 0.00 C ATOM 1206 O THR A 78 -5.977 4.188 7.585 1.00 0.00 O ATOM 1207 CB THR A 78 -6.605 5.605 10.518 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.430 6.246 10.011 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.495 5.453 12.028 1.00 0.00 C ATOM 0 H THR A 78 -4.912 3.370 9.503 1.00 0.00 H new ATOM 0 HA THR A 78 -7.701 3.770 10.223 1.00 0.00 H new ATOM 0 HB THR A 78 -7.478 6.218 10.293 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.778 5.567 9.740 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.364 6.434 12.484 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.404 4.992 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.638 4.824 12.269 1.00 0.00 H new ATOM 1217 N ALA A 79 -8.091 4.887 7.902 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.341 5.125 6.486 1.00 0.00 C ATOM 1219 C ALA A 79 -7.124 5.747 5.811 1.00 0.00 C ATOM 1220 O ALA A 79 -6.748 5.356 4.706 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.560 6.018 6.308 1.00 0.00 C ATOM 0 H ALA A 79 -8.882 5.095 8.511 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.536 4.164 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.735 6.187 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.433 5.534 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.387 6.973 6.804 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.512 6.719 6.482 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.338 7.395 5.944 1.00 0.00 C ATOM 1229 C GLU A 80 -4.277 6.386 5.515 1.00 0.00 C ATOM 1230 O GLU A 80 -3.921 6.307 4.340 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.754 8.355 6.983 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.707 9.468 7.387 1.00 0.00 C ATOM 1233 CD GLU A 80 -5.260 10.192 8.642 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.604 9.730 9.749 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.564 11.222 8.515 1.00 0.00 O ATOM 0 H GLU A 80 -6.810 7.055 7.398 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.648 7.964 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.473 7.789 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.841 8.797 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.791 10.184 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.701 9.050 7.548 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.776 5.618 6.478 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.755 4.614 6.200 1.00 0.00 C ATOM 1244 C GLN A 81 -3.287 3.544 5.253 1.00 0.00 C ATOM 1245 O GLN A 81 -2.612 3.154 4.300 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.278 3.969 7.502 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.208 4.773 8.223 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.792 5.824 9.147 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.836 6.409 8.859 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.118 6.069 10.265 1.00 0.00 N ATOM 0 H GLN A 81 -4.060 5.672 7.456 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.913 5.111 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.132 3.838 8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.888 2.975 7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.578 4.097 8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.566 5.257 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.257 5.560 10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.462 6.766 10.925 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.500 3.072 5.522 1.00 0.00 N ATOM 1260 CA ILE A 82 -5.122 2.048 4.693 1.00 0.00 C ATOM 1261 C ILE A 82 -5.077 2.432 3.218 1.00 0.00 C ATOM 1262 O ILE A 82 -4.482 1.729 2.402 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.586 1.803 5.104 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.648 1.152 6.487 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.288 0.934 4.071 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.869 -0.141 6.582 1.00 0.00 C ATOM 0 H ILE A 82 -5.071 3.383 6.308 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.553 1.131 4.845 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.100 2.763 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.263 1.854 7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.690 0.959 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.322 0.770 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.270 1.434 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.776 -0.025 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.958 -0.546 7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.268 -0.859 5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.819 0.049 6.359 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.709 3.552 2.885 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.740 4.030 1.508 1.00 0.00 C ATOM 1280 C GLN A 83 -4.356 3.952 0.873 1.00 0.00 C ATOM 1281 O GLN A 83 -4.209 3.509 -0.267 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.257 5.469 1.456 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.528 5.969 0.046 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.943 5.679 -0.413 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.795 6.568 -0.435 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.201 4.430 -0.784 1.00 0.00 N ATOM 0 H GLN A 83 -6.206 4.145 3.549 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.416 3.388 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.175 5.537 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.528 6.125 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.350 7.044 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.824 5.502 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.464 3.725 -0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.136 4.176 -1.103 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.344 4.384 1.617 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.970 4.364 1.126 1.00 0.00 C ATOM 1297 C CYS A 84 -1.609 2.987 0.578 1.00 0.00 C ATOM 1298 O CYS A 84 -1.251 2.848 -0.591 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.002 4.752 2.244 1.00 0.00 C ATOM 1300 SG CYS A 84 0.518 5.542 1.663 1.00 0.00 S ATOM 0 H CYS A 84 -3.449 4.752 2.562 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.888 5.090 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.510 5.428 2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.741 3.858 2.810 1.00 0.00 H new ATOM 0 HG CYS A 84 1.271 5.835 2.681 1.00 0.00 H new ATOM 1306 N MET A 85 -1.704 1.973 1.431 1.00 0.00 N ATOM 1307 CA MET A 85 -1.387 0.607 1.032 1.00 0.00 C ATOM 1308 C MET A 85 -1.906 0.316 -0.373 1.00 0.00 C ATOM 1309 O MET A 85 -1.168 -0.173 -1.227 1.00 0.00 O ATOM 1310 CB MET A 85 -1.986 -0.390 2.026 1.00 0.00 C ATOM 1311 CG MET A 85 -1.361 -0.319 3.410 1.00 0.00 C ATOM 1312 SD MET A 85 0.432 -0.501 3.372 1.00 0.00 S ATOM 1313 CE MET A 85 0.594 -2.078 2.539 1.00 0.00 C ATOM 0 H MET A 85 -1.998 2.071 2.403 1.00 0.00 H new ATOM 0 HA MET A 85 -0.302 0.499 1.029 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.057 -0.207 2.110 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.865 -1.399 1.633 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.616 0.635 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.788 -1.101 4.038 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.379 -2.663 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.350 -2.620 2.599 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.851 -1.912 1.493 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.179 0.620 -0.603 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.796 0.390 -1.904 1.00 0.00 C ATOM 1325 C GLN A 86 -3.200 1.316 -2.960 1.00 0.00 C ATOM 1326 O GLN A 86 -2.881 0.885 -4.068 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.308 0.600 -1.820 1.00 0.00 C ATOM 1328 CG GLN A 86 -6.011 -0.395 -0.909 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.961 0.013 0.550 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.311 1.139 0.903 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.525 -0.903 1.406 1.00 0.00 N ATOM 0 H GLN A 86 -3.803 1.026 0.094 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.596 -0.641 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.507 1.610 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.733 0.526 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.051 -0.494 -1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.550 -1.376 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.245 -1.824 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.470 -0.686 2.401 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.055 2.589 -2.609 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.497 3.576 -3.526 1.00 0.00 C ATOM 1342 C ASP A 87 -1.114 3.149 -4.009 1.00 0.00 C ATOM 1343 O ASP A 87 -0.900 2.939 -5.202 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.414 4.944 -2.848 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.716 5.715 -2.938 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.782 5.071 -3.029 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.669 6.963 -2.917 1.00 0.00 O ATOM 0 H ASP A 87 -3.316 2.962 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.158 3.647 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.146 4.811 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.617 5.527 -3.310 1.00 0.00 H new ATOM 1352 N MET A 88 -0.179 3.023 -3.073 1.00 0.00 N ATOM 1353 CA MET A 88 1.183 2.621 -3.404 1.00 0.00 C ATOM 1354 C MET A 88 1.286 1.105 -3.535 1.00 0.00 C ATOM 1355 O MET A 88 1.415 0.575 -4.638 1.00 0.00 O ATOM 1356 CB MET A 88 2.158 3.119 -2.335 1.00 0.00 C ATOM 1357 CG MET A 88 3.615 2.825 -2.657 1.00 0.00 C ATOM 1358 SD MET A 88 4.400 4.151 -3.592 1.00 0.00 S ATOM 1359 CE MET A 88 5.680 3.244 -4.456 1.00 0.00 C ATOM 0 H MET A 88 -0.339 3.193 -2.080 1.00 0.00 H new ATOM 0 HA MET A 88 1.445 3.069 -4.362 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.031 4.195 -2.212 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.905 2.657 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.163 2.666 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.677 1.898 -3.227 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.362 3.946 -4.936 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.233 2.629 -3.746 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.225 2.604 -5.212 1.00 0.00 H new ATOM 1369 N GLY A 89 1.228 0.411 -2.402 1.00 0.00 N ATOM 1370 CA GLY A 89 1.316 -1.037 -2.414 1.00 0.00 C ATOM 1371 C GLY A 89 2.614 -1.534 -3.018 1.00 0.00 C ATOM 1372 O GLY A 89 3.391 -0.753 -3.565 1.00 0.00 O ATOM 0 H GLY A 89 1.122 0.826 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.226 -1.412 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.477 -1.444 -2.978 1.00 0.00 H new ATOM 1376 N ASN A 90 2.851 -2.838 -2.919 1.00 0.00 N ATOM 1377 CA ASN A 90 4.065 -3.438 -3.458 1.00 0.00 C ATOM 1378 C ASN A 90 4.125 -3.276 -4.974 1.00 0.00 C ATOM 1379 O ASN A 90 5.179 -2.974 -5.537 1.00 0.00 O ATOM 1380 CB ASN A 90 4.133 -4.922 -3.090 1.00 0.00 C ATOM 1381 CG ASN A 90 4.046 -5.151 -1.594 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.318 -4.452 -0.889 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.791 -6.134 -1.102 1.00 0.00 N ATOM 0 H ASN A 90 2.218 -3.499 -2.470 1.00 0.00 H new ATOM 0 HA ASN A 90 4.920 -2.922 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.320 -5.454 -3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.065 -5.344 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.774 -6.335 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.380 -6.688 -1.724 1.00 0.00 H new ATOM 1390 N THR A 91 2.987 -3.477 -5.631 1.00 0.00 N ATOM 1391 CA THR A 91 2.910 -3.353 -7.081 1.00 0.00 C ATOM 1392 C THR A 91 3.729 -2.167 -7.576 1.00 0.00 C ATOM 1393 O THR A 91 4.778 -2.340 -8.198 1.00 0.00 O ATOM 1394 CB THR A 91 1.453 -3.190 -7.554 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.640 -4.235 -7.008 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.370 -3.217 -9.072 1.00 0.00 C ATOM 0 H THR A 91 2.106 -3.726 -5.182 1.00 0.00 H new ATOM 0 HA THR A 91 3.319 -4.273 -7.499 1.00 0.00 H new ATOM 0 HB THR A 91 1.087 -2.225 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.285 -4.123 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.331 -3.100 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.965 -2.402 -9.483 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.754 -4.168 -9.441 1.00 0.00 H new ATOM 1404 N LYS A 92 3.244 -0.962 -7.297 1.00 0.00 N ATOM 1405 CA LYS A 92 3.933 0.255 -7.712 1.00 0.00 C ATOM 1406 C LYS A 92 5.326 0.330 -7.096 1.00 0.00 C ATOM 1407 O LYS A 92 6.303 0.625 -7.782 1.00 0.00 O ATOM 1408 CB LYS A 92 3.119 1.488 -7.312 1.00 0.00 C ATOM 1409 CG LYS A 92 1.880 1.702 -8.164 1.00 0.00 C ATOM 1410 CD LYS A 92 0.752 0.770 -7.752 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.555 1.142 -8.435 1.00 0.00 C ATOM 1412 NZ LYS A 92 -1.632 0.155 -8.145 1.00 0.00 N ATOM 0 H LYS A 92 2.376 -0.802 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 92 4.037 0.232 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.820 1.392 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.755 2.371 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.550 2.737 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.126 1.536 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.016 -0.257 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.623 0.809 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.870 2.131 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.398 1.202 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.507 0.444 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.343 -0.784 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.800 0.116 -7.119 1.00 0.00 H new ATOM 1426 N ALA A 93 5.408 0.058 -5.797 1.00 0.00 N ATOM 1427 CA ALA A 93 6.682 0.091 -5.089 1.00 0.00 C ATOM 1428 C ALA A 93 7.787 -0.555 -5.917 1.00 0.00 C ATOM 1429 O ALA A 93 8.923 -0.080 -5.934 1.00 0.00 O ATOM 1430 CB ALA A 93 6.555 -0.602 -3.741 1.00 0.00 C ATOM 0 H ALA A 93 4.608 -0.187 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 93 6.951 1.134 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.514 -0.570 -3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.801 -0.094 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.259 -1.640 -3.892 1.00 0.00 H new ATOM 1436 N ARG A 94 7.447 -1.642 -6.603 1.00 0.00 N ATOM 1437 CA ARG A 94 8.412 -2.356 -7.431 1.00 0.00 C ATOM 1438 C ARG A 94 8.790 -1.531 -8.658 1.00 0.00 C ATOM 1439 O ARG A 94 9.968 -1.402 -8.995 1.00 0.00 O ATOM 1440 CB ARG A 94 7.842 -3.706 -7.867 1.00 0.00 C ATOM 1441 CG ARG A 94 8.737 -4.461 -8.836 1.00 0.00 C ATOM 1442 CD ARG A 94 8.062 -5.723 -9.351 1.00 0.00 C ATOM 1443 NE ARG A 94 8.981 -6.563 -10.114 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.767 -7.851 -10.359 1.00 0.00 C ATOM 1445 NH1 ARG A 94 7.671 -8.443 -9.905 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.650 -8.549 -11.062 1.00 0.00 N ATOM 0 H ARG A 94 6.511 -2.047 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 94 9.310 -2.524 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.675 -4.323 -6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.869 -3.547 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.992 -3.815 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.672 -4.723 -8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.665 -6.291 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.214 -5.450 -9.979 1.00 0.00 H new ATOM 0 HE ARG A 94 9.833 -6.138 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.989 -7.909 -9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.510 -9.432 -10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.493 -8.097 -11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.485 -9.538 -11.250 1.00 0.00 H new ATOM 1460 N LEU A 95 7.783 -0.974 -9.323 1.00 0.00 N ATOM 1461 CA LEU A 95 8.009 -0.162 -10.513 1.00 0.00 C ATOM 1462 C LEU A 95 8.689 1.155 -10.153 1.00 0.00 C ATOM 1463 O LEU A 95 9.136 1.896 -11.030 1.00 0.00 O ATOM 1464 CB LEU A 95 6.684 0.113 -11.226 1.00 0.00 C ATOM 1465 CG LEU A 95 5.781 -1.099 -11.456 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.391 -0.656 -11.886 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.391 -2.028 -12.496 1.00 0.00 C ATOM 0 H LEU A 95 6.803 -1.070 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 95 8.666 -0.717 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.128 0.850 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.902 0.567 -12.193 1.00 0.00 H new ATOM 0 HG LEU A 95 5.692 -1.645 -10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.763 -1.532 -12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.952 -0.031 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.461 -0.087 -12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.735 -2.885 -12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.510 -1.492 -13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.365 -2.373 -12.149 1.00 0.00 H new ATOM 1479 N LEU A 96 8.765 1.441 -8.858 1.00 0.00 N ATOM 1480 CA LEU A 96 9.393 2.668 -8.380 1.00 0.00 C ATOM 1481 C LEU A 96 10.772 2.382 -7.795 1.00 0.00 C ATOM 1482 O LEU A 96 11.791 2.783 -8.357 1.00 0.00 O ATOM 1483 CB LEU A 96 8.509 3.340 -7.328 1.00 0.00 C ATOM 1484 CG LEU A 96 8.588 4.865 -7.260 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.970 5.309 -6.806 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.247 5.478 -8.611 1.00 0.00 C ATOM 0 H LEU A 96 8.399 0.840 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 96 9.512 3.341 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.474 3.058 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.774 2.938 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 96 7.858 5.214 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.007 6.398 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.177 4.900 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.718 4.948 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.308 6.564 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.952 5.121 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.236 5.189 -8.897 1.00 0.00 H new ATOM 1498 N TYR A 97 10.796 1.685 -6.665 1.00 0.00 N ATOM 1499 CA TYR A 97 12.050 1.345 -6.003 1.00 0.00 C ATOM 1500 C TYR A 97 12.807 0.277 -6.786 1.00 0.00 C ATOM 1501 O TYR A 97 14.012 0.391 -7.007 1.00 0.00 O ATOM 1502 CB TYR A 97 11.783 0.855 -4.579 1.00 0.00 C ATOM 1503 CG TYR A 97 11.223 1.923 -3.666 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.065 2.796 -2.989 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.853 2.059 -3.483 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.557 3.773 -2.153 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.336 3.033 -2.651 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.193 3.887 -1.988 1.00 0.00 C ATOM 1509 OH TYR A 97 9.683 4.860 -1.158 1.00 0.00 O ATOM 0 H TYR A 97 9.961 1.344 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 97 12.665 2.244 -5.962 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.085 0.018 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.712 0.476 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.134 2.710 -3.118 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.180 1.391 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.225 4.443 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.268 3.125 -2.520 1.00 0.00 H new ATOM 0 HH TYR A 97 8.705 4.806 -1.153 1.00 0.00 H new ATOM 1519 N GLU A 98 12.090 -0.761 -7.205 1.00 0.00 N ATOM 1520 CA GLU A 98 12.694 -1.851 -7.963 1.00 0.00 C ATOM 1521 C GLU A 98 12.587 -1.593 -9.464 1.00 0.00 C ATOM 1522 O GLU A 98 12.382 -2.516 -10.250 1.00 0.00 O ATOM 1523 CB GLU A 98 12.021 -3.179 -7.614 1.00 0.00 C ATOM 1524 CG GLU A 98 12.228 -3.606 -6.171 1.00 0.00 C ATOM 1525 CD GLU A 98 11.915 -5.073 -5.945 1.00 0.00 C ATOM 1526 OE1 GLU A 98 12.817 -5.911 -6.149 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.766 -5.381 -5.564 1.00 0.00 O ATOM 0 H GLU A 98 11.091 -0.870 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 98 13.749 -1.906 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.952 -3.097 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.407 -3.957 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.261 -3.410 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.596 -3.000 -5.522 1.00 0.00 H new ATOM 1534 N ALA A 99 12.729 -0.330 -9.852 1.00 0.00 N ATOM 1535 CA ALA A 99 12.650 0.051 -11.257 1.00 0.00 C ATOM 1536 C ALA A 99 14.039 0.289 -11.840 1.00 0.00 C ATOM 1537 O ALA A 99 14.303 -0.042 -12.995 1.00 0.00 O ATOM 1538 CB ALA A 99 11.787 1.293 -11.420 1.00 0.00 C ATOM 0 H ALA A 99 12.899 0.447 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 99 12.190 -0.771 -11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.737 1.566 -12.474 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.782 1.089 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.222 2.116 -10.853 1.00 0.00 H new ATOM 1544 N ASN A 100 14.924 0.865 -11.033 1.00 0.00 N ATOM 1545 CA ASN A 100 16.286 1.148 -11.470 1.00 0.00 C ATOM 1546 C ASN A 100 17.202 -0.042 -11.202 1.00 0.00 C ATOM 1547 O ASN A 100 18.427 0.090 -11.201 1.00 0.00 O ATOM 1548 CB ASN A 100 16.825 2.390 -10.757 1.00 0.00 C ATOM 1549 CG ASN A 100 16.421 3.676 -11.452 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.810 3.926 -12.593 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.637 4.499 -10.765 1.00 0.00 N ATOM 0 H ASN A 100 14.722 1.145 -10.073 1.00 0.00 H new ATOM 0 HA ASN A 100 16.265 1.333 -12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.458 2.404 -9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.912 2.334 -10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.333 5.379 -11.181 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.339 4.251 -9.822 1.00 0.00 H new ATOM 1558 N LEU A 101 16.601 -1.205 -10.976 1.00 0.00 N ATOM 1559 CA LEU A 101 17.362 -2.421 -10.708 1.00 0.00 C ATOM 1560 C LEU A 101 17.954 -2.987 -11.994 1.00 0.00 C ATOM 1561 O LEU A 101 17.401 -2.831 -13.083 1.00 0.00 O ATOM 1562 CB LEU A 101 16.469 -3.468 -10.039 1.00 0.00 C ATOM 1563 CG LEU A 101 16.243 -3.297 -8.537 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.303 -4.371 -8.013 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.569 -3.336 -7.791 1.00 0.00 C ATOM 0 H LEU A 101 15.589 -1.332 -10.973 1.00 0.00 H new ATOM 0 HA LEU A 101 18.181 -2.167 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.499 -3.459 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.906 -4.452 -10.211 1.00 0.00 H new ATOM 0 HG LEU A 101 15.781 -2.325 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.154 -4.233 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.344 -4.297 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.736 -5.354 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.389 -3.213 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.058 -4.294 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.210 -2.529 -8.146 1.00 0.00 H new ATOM 1577 N PRO A 102 19.106 -3.663 -11.868 1.00 0.00 N ATOM 1578 CA PRO A 102 19.797 -4.270 -13.009 1.00 0.00 C ATOM 1579 C PRO A 102 19.042 -5.468 -13.575 1.00 0.00 C ATOM 1580 O PRO A 102 18.231 -6.083 -12.884 1.00 0.00 O ATOM 1581 CB PRO A 102 21.137 -4.713 -12.418 1.00 0.00 C ATOM 1582 CG PRO A 102 20.865 -4.908 -10.966 1.00 0.00 C ATOM 1583 CD PRO A 102 19.821 -3.889 -10.601 1.00 0.00 C ATOM 0 HA PRO A 102 19.892 -3.575 -13.843 1.00 0.00 H new ATOM 0 HB2 PRO A 102 21.489 -5.634 -12.882 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.909 -3.960 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.510 -5.919 -10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 102 21.771 -4.767 -10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.153 -4.259 -9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.271 -2.970 -10.224 1.00 0.00 H new ATOM 1591 N GLU A 103 19.314 -5.793 -14.835 1.00 0.00 N ATOM 1592 CA GLU A 103 18.659 -6.917 -15.492 1.00 0.00 C ATOM 1593 C GLU A 103 18.832 -8.198 -14.680 1.00 0.00 C ATOM 1594 O GLU A 103 17.863 -8.903 -14.401 1.00 0.00 O ATOM 1595 CB GLU A 103 19.225 -7.114 -16.900 1.00 0.00 C ATOM 1596 CG GLU A 103 20.743 -7.105 -16.953 1.00 0.00 C ATOM 1597 CD GLU A 103 21.278 -6.555 -18.261 1.00 0.00 C ATOM 1598 OE1 GLU A 103 20.598 -5.700 -18.866 1.00 0.00 O ATOM 1599 OE2 GLU A 103 22.376 -6.978 -18.679 1.00 0.00 O ATOM 0 H GLU A 103 19.983 -5.294 -15.421 1.00 0.00 H new ATOM 0 HA GLU A 103 17.595 -6.693 -15.563 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.862 -8.061 -17.299 1.00 0.00 H new ATOM 0 HB3 GLU A 103 18.843 -6.327 -17.550 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.128 -6.507 -16.127 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.114 -8.120 -16.811 1.00 0.00 H new ATOM 1606 N ASN A 104 20.073 -8.490 -14.304 1.00 0.00 N ATOM 1607 CA ASN A 104 20.373 -9.686 -13.524 1.00 0.00 C ATOM 1608 C ASN A 104 20.421 -9.366 -12.034 1.00 0.00 C ATOM 1609 O ASN A 104 21.290 -9.853 -11.310 1.00 0.00 O ATOM 1610 CB ASN A 104 21.707 -10.289 -13.971 1.00 0.00 C ATOM 1611 CG ASN A 104 22.807 -9.250 -14.070 1.00 0.00 C ATOM 1612 OD1 ASN A 104 23.332 -8.987 -15.153 1.00 0.00 O ATOM 1613 ND2 ASN A 104 23.161 -8.654 -12.938 1.00 0.00 N ATOM 0 H ASN A 104 20.886 -7.916 -14.526 1.00 0.00 H new ATOM 0 HA ASN A 104 19.577 -10.411 -13.696 1.00 0.00 H new ATOM 0 HB2 ASN A 104 22.006 -11.065 -13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 104 21.578 -10.771 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 104 23.896 -7.946 -12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 104 22.698 -8.904 -12.064 1.00 0.00 H new ATOM 1620 N PHE A 105 19.480 -8.544 -11.580 1.00 0.00 N ATOM 1621 CA PHE A 105 19.415 -8.158 -10.175 1.00 0.00 C ATOM 1622 C PHE A 105 19.232 -9.382 -9.283 1.00 0.00 C ATOM 1623 O PHE A 105 18.613 -10.368 -9.683 1.00 0.00 O ATOM 1624 CB PHE A 105 18.267 -7.171 -9.949 1.00 0.00 C ATOM 1625 CG PHE A 105 17.755 -7.162 -8.537 1.00 0.00 C ATOM 1626 CD1 PHE A 105 18.454 -6.506 -7.536 1.00 0.00 C ATOM 1627 CD2 PHE A 105 16.575 -7.810 -8.210 1.00 0.00 C ATOM 1628 CE1 PHE A 105 17.985 -6.495 -6.236 1.00 0.00 C ATOM 1629 CE2 PHE A 105 16.101 -7.802 -6.911 1.00 0.00 C ATOM 1630 CZ PHE A 105 16.807 -7.145 -5.923 1.00 0.00 C ATOM 0 H PHE A 105 18.752 -8.133 -12.165 1.00 0.00 H new ATOM 0 HA PHE A 105 20.357 -7.676 -9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 105 18.603 -6.168 -10.212 1.00 0.00 H new ATOM 0 HB3 PHE A 105 17.447 -7.419 -10.623 1.00 0.00 H new ATOM 0 HD1 PHE A 105 19.376 -5.997 -7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.019 -8.327 -8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.539 -5.979 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.179 -8.310 -6.669 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.439 -7.139 -4.908 1.00 0.00 H new ATOM 1640 N ARG A 106 19.776 -9.311 -8.073 1.00 0.00 N ATOM 1641 CA ARG A 106 19.675 -10.413 -7.124 1.00 0.00 C ATOM 1642 C ARG A 106 19.451 -9.892 -5.707 1.00 0.00 C ATOM 1643 O ARG A 106 20.070 -8.913 -5.290 1.00 0.00 O ATOM 1644 CB ARG A 106 20.941 -11.270 -7.169 1.00 0.00 C ATOM 1645 CG ARG A 106 20.994 -12.216 -8.357 1.00 0.00 C ATOM 1646 CD ARG A 106 22.426 -12.478 -8.798 1.00 0.00 C ATOM 1647 NE ARG A 106 22.504 -13.526 -9.812 1.00 0.00 N ATOM 1648 CZ ARG A 106 22.525 -14.823 -9.528 1.00 0.00 C ATOM 1649 NH1 ARG A 106 22.474 -15.230 -8.267 1.00 0.00 N ATOM 1650 NH2 ARG A 106 22.597 -15.717 -10.506 1.00 0.00 N ATOM 0 H ARG A 106 20.291 -8.502 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 106 18.819 -11.026 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.812 -10.615 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 106 21.009 -11.851 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.515 -13.159 -8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.429 -11.792 -9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 106 22.857 -11.558 -9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 106 23.025 -12.765 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 106 22.545 -13.246 -10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 106 22.418 -14.546 -7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 106 22.490 -16.227 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 106 22.636 -15.408 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 106 22.613 -16.713 -10.286 1.00 0.00 H new ATOM 1664 N ARG A 107 18.561 -10.553 -4.973 1.00 0.00 N ATOM 1665 CA ARG A 107 18.254 -10.155 -3.605 1.00 0.00 C ATOM 1666 C ARG A 107 19.267 -10.744 -2.627 1.00 0.00 C ATOM 1667 O ARG A 107 19.669 -11.903 -2.735 1.00 0.00 O ATOM 1668 CB ARG A 107 16.842 -10.605 -3.225 1.00 0.00 C ATOM 1669 CG ARG A 107 15.745 -9.866 -3.974 1.00 0.00 C ATOM 1670 CD ARG A 107 14.460 -10.677 -4.024 1.00 0.00 C ATOM 1671 NE ARG A 107 13.683 -10.398 -5.229 1.00 0.00 N ATOM 1672 CZ ARG A 107 12.854 -9.367 -5.346 1.00 0.00 C ATOM 1673 NH1 ARG A 107 12.695 -8.522 -4.336 1.00 0.00 N ATOM 1674 NH2 ARG A 107 12.182 -9.179 -6.474 1.00 0.00 N ATOM 0 H ARG A 107 18.041 -11.366 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 107 18.309 -9.068 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.746 -11.673 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.700 -10.461 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.554 -8.909 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.079 -9.648 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.700 -11.740 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.857 -10.455 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 107 13.783 -11.029 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.210 -8.663 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.058 -7.731 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.302 -9.827 -7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.546 -8.387 -6.563 1.00 0.00 H new ATOM 1688 N PRO A 108 19.690 -9.928 -1.650 1.00 0.00 N ATOM 1689 CA PRO A 108 20.661 -10.347 -0.634 1.00 0.00 C ATOM 1690 C PRO A 108 20.080 -11.369 0.336 1.00 0.00 C ATOM 1691 O PRO A 108 18.998 -11.169 0.888 1.00 0.00 O ATOM 1692 CB PRO A 108 20.993 -9.044 0.097 1.00 0.00 C ATOM 1693 CG PRO A 108 19.796 -8.181 -0.104 1.00 0.00 C ATOM 1694 CD PRO A 108 19.253 -8.535 -1.461 1.00 0.00 C ATOM 0 HA PRO A 108 21.529 -10.837 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.180 -9.221 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.890 -8.578 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.052 -8.359 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.063 -7.125 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.167 -8.446 -1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.651 -7.880 -2.236 1.00 0.00 H new ATOM 1702 N GLN A 109 20.807 -12.463 0.541 1.00 0.00 N ATOM 1703 CA GLN A 109 20.362 -13.517 1.446 1.00 0.00 C ATOM 1704 C GLN A 109 20.893 -13.282 2.856 1.00 0.00 C ATOM 1705 O GLN A 109 20.187 -13.502 3.842 1.00 0.00 O ATOM 1706 CB GLN A 109 20.822 -14.884 0.936 1.00 0.00 C ATOM 1707 CG GLN A 109 19.923 -15.463 -0.144 1.00 0.00 C ATOM 1708 CD GLN A 109 18.581 -15.919 0.396 1.00 0.00 C ATOM 1709 OE1 GLN A 109 18.416 -17.075 0.785 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.613 -15.010 0.421 1.00 0.00 N ATOM 0 H GLN A 109 21.706 -12.643 0.093 1.00 0.00 H new ATOM 0 HA GLN A 109 19.273 -13.498 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.835 -14.795 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.864 -15.580 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.763 -14.713 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.426 -16.307 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.794 -14.063 0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.689 -15.259 0.773 1.00 0.00 H new ATOM 1719 N THR A 110 22.142 -12.836 2.947 1.00 0.00 N ATOM 1720 CA THR A 110 22.768 -12.573 4.237 1.00 0.00 C ATOM 1721 C THR A 110 22.374 -11.200 4.770 1.00 0.00 C ATOM 1722 O THR A 110 22.436 -10.203 4.051 1.00 0.00 O ATOM 1723 CB THR A 110 24.303 -12.653 4.142 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.783 -11.724 3.165 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.750 -14.060 3.774 1.00 0.00 C ATOM 0 H THR A 110 22.740 -12.649 2.142 1.00 0.00 H new ATOM 0 HA THR A 110 22.413 -13.341 4.924 1.00 0.00 H new ATOM 0 HB THR A 110 24.718 -12.400 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.198 -10.938 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.838 -14.092 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.409 -14.761 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.324 -14.336 2.810 1.00 0.00 H new ATOM 1733 N ASP A 111 21.969 -11.156 6.034 1.00 0.00 N ATOM 1734 CA ASP A 111 21.567 -9.904 6.665 1.00 0.00 C ATOM 1735 C ASP A 111 22.571 -8.796 6.363 1.00 0.00 C ATOM 1736 O ASP A 111 22.192 -7.693 5.971 1.00 0.00 O ATOM 1737 CB ASP A 111 21.433 -10.090 8.177 1.00 0.00 C ATOM 1738 CG ASP A 111 20.269 -10.987 8.549 1.00 0.00 C ATOM 1739 OD1 ASP A 111 20.193 -12.113 8.015 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.432 -10.563 9.374 1.00 0.00 O ATOM 0 H ASP A 111 21.910 -11.973 6.642 1.00 0.00 H new ATOM 0 HA ASP A 111 20.599 -9.614 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 111 22.356 -10.515 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 111 21.303 -9.116 8.650 1.00 0.00 H new ATOM 1745 N GLN A 112 23.852 -9.098 6.550 1.00 0.00 N ATOM 1746 CA GLN A 112 24.910 -8.127 6.299 1.00 0.00 C ATOM 1747 C GLN A 112 24.584 -7.270 5.080 1.00 0.00 C ATOM 1748 O GLN A 112 24.745 -6.051 5.105 1.00 0.00 O ATOM 1749 CB GLN A 112 26.248 -8.839 6.095 1.00 0.00 C ATOM 1750 CG GLN A 112 27.455 -7.948 6.335 1.00 0.00 C ATOM 1751 CD GLN A 112 27.927 -7.981 7.775 1.00 0.00 C ATOM 1752 OE1 GLN A 112 27.620 -7.086 8.563 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.680 -9.017 8.128 1.00 0.00 N ATOM 0 H GLN A 112 24.182 -10.007 6.874 1.00 0.00 H new ATOM 0 HA GLN A 112 24.984 -7.475 7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.300 -9.696 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.291 -9.229 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 112 28.269 -8.262 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.205 -6.923 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 112 28.911 -9.737 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.027 -9.093 9.084 1.00 0.00 H new ATOM 1762 N ALA A 113 24.127 -7.918 4.013 1.00 0.00 N ATOM 1763 CA ALA A 113 23.777 -7.216 2.785 1.00 0.00 C ATOM 1764 C ALA A 113 22.395 -6.580 2.889 1.00 0.00 C ATOM 1765 O ALA A 113 22.251 -5.362 2.790 1.00 0.00 O ATOM 1766 CB ALA A 113 23.835 -8.167 1.598 1.00 0.00 C ATOM 0 H ALA A 113 23.991 -8.928 3.975 1.00 0.00 H new ATOM 0 HA ALA A 113 24.504 -6.418 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.571 -7.629 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.844 -8.569 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.132 -8.985 1.753 1.00 0.00 H new ATOM 1772 N VAL A 114 21.379 -7.414 3.090 1.00 0.00 N ATOM 1773 CA VAL A 114 20.008 -6.934 3.209 1.00 0.00 C ATOM 1774 C VAL A 114 19.960 -5.569 3.886 1.00 0.00 C ATOM 1775 O VAL A 114 19.507 -4.589 3.297 1.00 0.00 O ATOM 1776 CB VAL A 114 19.134 -7.921 4.006 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.697 -7.427 4.075 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.201 -9.309 3.387 1.00 0.00 C ATOM 0 H VAL A 114 21.480 -8.425 3.174 1.00 0.00 H new ATOM 0 HA VAL A 114 19.614 -6.848 2.196 1.00 0.00 H new ATOM 0 HB VAL A 114 19.520 -7.982 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.095 -8.137 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.670 -6.455 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.295 -7.335 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.578 -9.994 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.841 -9.267 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.232 -9.662 3.396 1.00 0.00 H new ATOM 1788 N GLU A 115 20.432 -5.514 5.128 1.00 0.00 N ATOM 1789 CA GLU A 115 20.442 -4.268 5.886 1.00 0.00 C ATOM 1790 C GLU A 115 20.851 -3.095 4.999 1.00 0.00 C ATOM 1791 O GLU A 115 20.146 -2.089 4.919 1.00 0.00 O ATOM 1792 CB GLU A 115 21.397 -4.378 7.077 1.00 0.00 C ATOM 1793 CG GLU A 115 21.596 -3.067 7.820 1.00 0.00 C ATOM 1794 CD GLU A 115 20.625 -2.896 8.972 1.00 0.00 C ATOM 1795 OE1 GLU A 115 20.512 -3.829 9.795 1.00 0.00 O ATOM 1796 OE2 GLU A 115 19.979 -1.831 9.051 1.00 0.00 O ATOM 0 H GLU A 115 20.812 -6.317 5.630 1.00 0.00 H new ATOM 0 HA GLU A 115 19.432 -4.088 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.014 -5.125 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.364 -4.737 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.617 -3.020 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.477 -2.237 7.123 1.00 0.00 H new ATOM 1803 N PHE A 116 21.993 -3.233 4.335 1.00 0.00 N ATOM 1804 CA PHE A 116 22.498 -2.185 3.455 1.00 0.00 C ATOM 1805 C PHE A 116 21.613 -2.040 2.220 1.00 0.00 C ATOM 1806 O PHE A 116 21.064 -0.969 1.959 1.00 0.00 O ATOM 1807 CB PHE A 116 23.936 -2.493 3.033 1.00 0.00 C ATOM 1808 CG PHE A 116 24.957 -2.120 4.069 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.113 -0.802 4.465 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.762 -3.089 4.647 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.053 -0.456 5.418 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.703 -2.749 5.601 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.848 -1.431 5.987 1.00 0.00 C ATOM 0 H PHE A 116 22.587 -4.060 4.389 1.00 0.00 H new ATOM 0 HA PHE A 116 22.482 -1.244 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 116 24.022 -3.558 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.157 -1.960 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.493 -0.035 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.653 -4.121 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.165 0.576 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.324 -3.513 6.044 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.582 -1.163 6.733 1.00 0.00 H new ATOM 1823 N PHE A 117 21.480 -3.125 1.464 1.00 0.00 N ATOM 1824 CA PHE A 117 20.664 -3.119 0.256 1.00 0.00 C ATOM 1825 C PHE A 117 19.419 -2.256 0.444 1.00 0.00 C ATOM 1826 O PHE A 117 19.104 -1.411 -0.394 1.00 0.00 O ATOM 1827 CB PHE A 117 20.257 -4.546 -0.117 1.00 0.00 C ATOM 1828 CG PHE A 117 19.141 -4.608 -1.120 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.343 -4.201 -2.429 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.888 -5.075 -0.754 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.317 -4.256 -3.353 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.858 -5.133 -1.674 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.074 -4.724 -2.975 1.00 0.00 C ATOM 0 H PHE A 117 21.927 -4.019 1.667 1.00 0.00 H new ATOM 0 HA PHE A 117 21.260 -2.695 -0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 117 21.125 -5.070 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.954 -5.076 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.314 -3.836 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.715 -5.397 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.487 -3.933 -4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.886 -5.498 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.272 -4.770 -3.696 1.00 0.00 H new ATOM 1843 N ILE A 118 18.716 -2.477 1.550 1.00 0.00 N ATOM 1844 CA ILE A 118 17.506 -1.720 1.849 1.00 0.00 C ATOM 1845 C ILE A 118 17.829 -0.257 2.131 1.00 0.00 C ATOM 1846 O ILE A 118 17.110 0.643 1.697 1.00 0.00 O ATOM 1847 CB ILE A 118 16.757 -2.312 3.057 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.305 -3.742 2.755 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.564 -1.439 3.419 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.885 -4.516 3.985 1.00 0.00 C ATOM 0 H ILE A 118 18.963 -3.173 2.253 1.00 0.00 H new ATOM 0 HA ILE A 118 16.867 -1.785 0.969 1.00 0.00 H new ATOM 0 HB ILE A 118 17.436 -2.339 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.471 -3.710 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 118 17.118 -4.274 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.044 -1.870 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.910 -0.437 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.882 -1.384 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.577 -5.521 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.723 -4.579 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.051 -4.006 4.468 1.00 0.00 H new ATOM 1862 N ARG A 119 18.916 -0.027 2.861 1.00 0.00 N ATOM 1863 CA ARG A 119 19.335 1.327 3.201 1.00 0.00 C ATOM 1864 C ARG A 119 19.687 2.119 1.946 1.00 0.00 C ATOM 1865 O ARG A 119 19.116 3.179 1.688 1.00 0.00 O ATOM 1866 CB ARG A 119 20.537 1.290 4.147 1.00 0.00 C ATOM 1867 CG ARG A 119 20.154 1.251 5.617 1.00 0.00 C ATOM 1868 CD ARG A 119 21.371 1.412 6.514 1.00 0.00 C ATOM 1869 NE ARG A 119 21.099 0.995 7.887 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.040 0.855 8.814 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.309 1.098 8.515 1.00 0.00 N ATOM 1872 NH2 ARG A 119 21.713 0.472 10.041 1.00 0.00 N ATOM 0 H ARG A 119 19.522 -0.761 3.228 1.00 0.00 H new ATOM 0 HA ARG A 119 18.503 1.822 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.144 0.415 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.159 2.167 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.437 2.044 5.829 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.659 0.306 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 119 22.197 0.824 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.690 2.454 6.508 1.00 0.00 H new ATOM 0 HE ARG A 119 20.133 0.800 8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 119 23.563 1.393 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 119 24.031 0.990 9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.738 0.284 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 119 22.437 0.365 10.752 1.00 0.00 H new ATOM 1886 N ASP A 120 20.630 1.598 1.169 1.00 0.00 N ATOM 1887 CA ASP A 120 21.057 2.256 -0.061 1.00 0.00 C ATOM 1888 C ASP A 120 19.942 2.243 -1.101 1.00 0.00 C ATOM 1889 O ASP A 120 19.926 3.060 -2.021 1.00 0.00 O ATOM 1890 CB ASP A 120 22.304 1.571 -0.623 1.00 0.00 C ATOM 1891 CG ASP A 120 23.455 1.563 0.363 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.224 1.221 1.542 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.587 1.897 -0.044 1.00 0.00 O ATOM 0 H ASP A 120 21.113 0.722 1.369 1.00 0.00 H new ATOM 0 HA ASP A 120 21.296 3.293 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 120 22.058 0.545 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.615 2.080 -1.535 1.00 0.00 H new ATOM 1898 N LYS A 121 19.009 1.309 -0.948 1.00 0.00 N ATOM 1899 CA LYS A 121 17.888 1.189 -1.873 1.00 0.00 C ATOM 1900 C LYS A 121 16.844 2.268 -1.606 1.00 0.00 C ATOM 1901 O LYS A 121 16.384 2.942 -2.528 1.00 0.00 O ATOM 1902 CB LYS A 121 17.248 -0.196 -1.753 1.00 0.00 C ATOM 1903 CG LYS A 121 15.911 -0.312 -2.465 1.00 0.00 C ATOM 1904 CD LYS A 121 15.474 -1.761 -2.599 1.00 0.00 C ATOM 1905 CE LYS A 121 14.506 -1.947 -3.757 1.00 0.00 C ATOM 1906 NZ LYS A 121 15.208 -1.954 -5.071 1.00 0.00 N ATOM 0 H LYS A 121 19.007 0.624 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 121 18.269 1.320 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.933 -0.940 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.110 -0.433 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.155 0.247 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.984 0.140 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.349 -2.393 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.001 -2.087 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.964 -2.884 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.767 -1.146 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.586 -1.548 -5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.077 -1.387 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.452 -2.932 -5.329 1.00 0.00 H new ATOM 1920 N TYR A 122 16.474 2.427 -0.340 1.00 0.00 N ATOM 1921 CA TYR A 122 15.483 3.424 0.047 1.00 0.00 C ATOM 1922 C TYR A 122 16.158 4.678 0.595 1.00 0.00 C ATOM 1923 O TYR A 122 16.110 5.741 -0.023 1.00 0.00 O ATOM 1924 CB TYR A 122 14.530 2.845 1.094 1.00 0.00 C ATOM 1925 CG TYR A 122 13.472 1.934 0.512 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.746 0.597 0.253 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.200 2.411 0.221 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.783 -0.239 -0.279 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.231 1.582 -0.310 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.527 0.258 -0.558 1.00 0.00 C ATOM 1931 OH TYR A 122 10.565 -0.571 -1.088 1.00 0.00 O ATOM 0 H TYR A 122 16.845 1.878 0.435 1.00 0.00 H new ATOM 0 HA TYR A 122 14.914 3.698 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.109 2.290 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 122 14.042 3.664 1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.728 0.204 0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.965 3.447 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.013 -1.276 -0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.247 1.969 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 122 9.737 -0.065 -1.225 1.00 0.00 H new ATOM 1941 N GLU A 123 16.785 4.544 1.759 1.00 0.00 N ATOM 1942 CA GLU A 123 17.470 5.666 2.391 1.00 0.00 C ATOM 1943 C GLU A 123 18.205 6.509 1.353 1.00 0.00 C ATOM 1944 O GLU A 123 17.942 7.703 1.207 1.00 0.00 O ATOM 1945 CB GLU A 123 18.456 5.161 3.446 1.00 0.00 C ATOM 1946 CG GLU A 123 18.711 6.156 4.566 1.00 0.00 C ATOM 1947 CD GLU A 123 19.841 5.727 5.482 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.015 5.883 5.088 1.00 0.00 O ATOM 1949 OE2 GLU A 123 19.551 5.235 6.593 1.00 0.00 O ATOM 0 H GLU A 123 16.833 3.671 2.284 1.00 0.00 H new ATOM 0 HA GLU A 123 16.720 6.291 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.074 4.234 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.403 4.922 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.947 7.129 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.800 6.279 5.152 1.00 0.00 H new ATOM 1956 N LYS A 124 19.129 5.879 0.635 1.00 0.00 N ATOM 1957 CA LYS A 124 19.903 6.568 -0.390 1.00 0.00 C ATOM 1958 C LYS A 124 19.078 6.760 -1.658 1.00 0.00 C ATOM 1959 O LYS A 124 19.386 7.614 -2.489 1.00 0.00 O ATOM 1960 CB LYS A 124 21.177 5.783 -0.711 1.00 0.00 C ATOM 1961 CG LYS A 124 22.111 5.628 0.477 1.00 0.00 C ATOM 1962 CD LYS A 124 23.389 4.902 0.090 1.00 0.00 C ATOM 1963 CE LYS A 124 24.284 5.773 -0.778 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.592 5.119 -1.057 1.00 0.00 N ATOM 0 H LYS A 124 19.360 4.892 0.745 1.00 0.00 H new ATOM 0 HA LYS A 124 20.177 7.550 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.902 4.794 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.710 6.285 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.357 6.611 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.605 5.078 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.928 4.608 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.140 3.986 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.778 5.989 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.454 6.728 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.173 5.744 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 26.087 4.935 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.431 4.220 -1.554 1.00 0.00 H new ATOM 1978 N LYS A 125 18.027 5.959 -1.801 1.00 0.00 N ATOM 1979 CA LYS A 125 17.155 6.042 -2.967 1.00 0.00 C ATOM 1980 C LYS A 125 17.921 5.709 -4.244 1.00 0.00 C ATOM 1981 O LYS A 125 17.549 6.145 -5.334 1.00 0.00 O ATOM 1982 CB LYS A 125 16.544 7.441 -3.075 1.00 0.00 C ATOM 1983 CG LYS A 125 15.556 7.760 -1.967 1.00 0.00 C ATOM 1984 CD LYS A 125 14.367 6.814 -1.990 1.00 0.00 C ATOM 1985 CE LYS A 125 13.269 7.275 -1.044 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.607 6.988 0.378 1.00 0.00 N ATOM 0 H LYS A 125 17.759 5.245 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 125 16.355 5.312 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.345 8.180 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.041 7.535 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.057 7.693 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.207 8.787 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.972 6.749 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.693 5.812 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.107 8.345 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.334 6.778 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.966 6.256 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.589 6.651 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.502 7.856 0.942 1.00 0.00 H new ATOM 2000 N LYS A 126 18.991 4.935 -4.102 1.00 0.00 N ATOM 2001 CA LYS A 126 19.808 4.541 -5.244 1.00 0.00 C ATOM 2002 C LYS A 126 18.933 4.119 -6.419 1.00 0.00 C ATOM 2003 O LYS A 126 18.875 4.805 -7.440 1.00 0.00 O ATOM 2004 CB LYS A 126 20.746 3.396 -4.855 1.00 0.00 C ATOM 2005 CG LYS A 126 22.045 3.862 -4.222 1.00 0.00 C ATOM 2006 CD LYS A 126 23.004 2.704 -4.000 1.00 0.00 C ATOM 2007 CE LYS A 126 23.699 2.300 -5.291 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.589 1.122 -5.096 1.00 0.00 N ATOM 0 H LYS A 126 19.313 4.568 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 126 20.403 5.402 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.229 2.735 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.975 2.808 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.516 4.608 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.833 4.348 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.750 2.985 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.459 1.851 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 126 22.951 2.069 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.284 3.139 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.044 0.878 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.319 1.351 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.027 0.313 -4.762 1.00 0.00 H new ATOM 2022 N TYR A 127 18.252 2.989 -6.268 1.00 0.00 N ATOM 2023 CA TYR A 127 17.380 2.475 -7.318 1.00 0.00 C ATOM 2024 C TYR A 127 16.006 3.135 -7.257 1.00 0.00 C ATOM 2025 O TYR A 127 14.989 2.507 -7.552 1.00 0.00 O ATOM 2026 CB TYR A 127 17.235 0.958 -7.193 1.00 0.00 C ATOM 2027 CG TYR A 127 18.533 0.250 -6.876 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.010 0.182 -5.573 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.283 -0.351 -7.880 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.196 -0.463 -5.278 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.469 -1.000 -7.595 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.921 -1.053 -6.293 1.00 0.00 C ATOM 2033 OH TYR A 127 22.103 -1.697 -6.005 1.00 0.00 O ATOM 0 H TYR A 127 18.287 2.411 -5.428 1.00 0.00 H new ATOM 0 HA TYR A 127 17.834 2.712 -8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.508 0.734 -6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.833 0.562 -8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.444 0.641 -4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 127 18.933 -0.310 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.553 -0.505 -4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.039 -1.463 -8.387 1.00 0.00 H new ATOM 0 HH TYR A 127 22.488 -2.059 -6.830 1.00 0.00 H new ATOM 2043 N TYR A 128 15.984 4.406 -6.871 1.00 0.00 N ATOM 2044 CA TYR A 128 14.736 5.153 -6.768 1.00 0.00 C ATOM 2045 C TYR A 128 14.402 5.839 -8.089 1.00 0.00 C ATOM 2046 O TYR A 128 15.186 6.637 -8.603 1.00 0.00 O ATOM 2047 CB TYR A 128 14.830 6.192 -5.650 1.00 0.00 C ATOM 2048 CG TYR A 128 13.520 6.890 -5.361 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.466 6.211 -4.762 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.336 8.228 -5.685 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.267 6.844 -4.496 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.142 8.870 -5.422 1.00 0.00 C ATOM 2053 CZ TYR A 128 11.110 8.173 -4.828 1.00 0.00 C ATOM 2054 OH TYR A 128 9.918 8.808 -4.564 1.00 0.00 O ATOM 0 H TYR A 128 16.817 4.941 -6.624 1.00 0.00 H new ATOM 0 HA TYR A 128 13.938 4.448 -6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.181 5.704 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.578 6.938 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.586 5.170 -4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.141 8.776 -6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.458 6.301 -4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 128 12.017 9.911 -5.680 1.00 0.00 H new ATOM 0 HH TYR A 128 10.042 9.778 -4.630 1.00 0.00 H new ATOM 2064 N ASP A 129 13.231 5.523 -8.633 1.00 0.00 N ATOM 2065 CA ASP A 129 12.790 6.110 -9.893 1.00 0.00 C ATOM 2066 C ASP A 129 11.947 7.357 -9.646 1.00 0.00 C ATOM 2067 O ASP A 129 10.756 7.385 -9.957 1.00 0.00 O ATOM 2068 CB ASP A 129 11.989 5.089 -10.702 1.00 0.00 C ATOM 2069 CG ASP A 129 12.112 5.311 -12.197 1.00 0.00 C ATOM 2070 OD1 ASP A 129 12.167 6.484 -12.620 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.151 4.311 -12.945 1.00 0.00 O ATOM 0 H ASP A 129 12.571 4.864 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 129 13.674 6.399 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.334 4.084 -10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.939 5.145 -10.414 1.00 0.00 H new ATOM 2076 N LYS A 130 12.571 8.386 -9.084 1.00 0.00 N ATOM 2077 CA LYS A 130 11.879 9.636 -8.795 1.00 0.00 C ATOM 2078 C LYS A 130 11.170 10.165 -10.037 1.00 0.00 C ATOM 2079 O LYS A 130 10.119 10.797 -9.941 1.00 0.00 O ATOM 2080 CB LYS A 130 12.869 10.682 -8.276 1.00 0.00 C ATOM 2081 CG LYS A 130 13.946 11.052 -9.280 1.00 0.00 C ATOM 2082 CD LYS A 130 13.517 12.219 -10.154 1.00 0.00 C ATOM 2083 CE LYS A 130 14.714 12.913 -10.784 1.00 0.00 C ATOM 2084 NZ LYS A 130 15.392 13.831 -9.827 1.00 0.00 N ATOM 0 H LYS A 130 13.556 8.379 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 130 11.131 9.439 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.321 11.582 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.343 10.303 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.864 11.310 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.171 10.190 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.848 11.862 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.953 12.935 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.425 12.164 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.388 13.476 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 16.202 14.284 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.722 14.561 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 15.726 13.290 -9.004 1.00 0.00 H new ATOM 2098 N ASN A 131 11.751 9.902 -11.203 1.00 0.00 N ATOM 2099 CA ASN A 131 11.173 10.351 -12.464 1.00 0.00 C ATOM 2100 C ASN A 131 9.714 9.921 -12.578 1.00 0.00 C ATOM 2101 O ASN A 131 8.867 10.682 -13.045 1.00 0.00 O ATOM 2102 CB ASN A 131 11.974 9.793 -13.643 1.00 0.00 C ATOM 2103 CG ASN A 131 13.392 10.327 -13.684 1.00 0.00 C ATOM 2104 OD1 ASN A 131 13.666 11.430 -13.210 1.00 0.00 O ATOM 2105 ND2 ASN A 131 14.303 9.546 -14.252 1.00 0.00 N ATOM 0 H ASN A 131 12.622 9.380 -11.301 1.00 0.00 H new ATOM 0 HA ASN A 131 11.215 11.440 -12.487 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.000 8.705 -13.578 1.00 0.00 H new ATOM 0 HB3 ASN A 131 11.467 10.045 -14.575 1.00 0.00 H new ATOM 0 HD21 ASN A 131 15.274 9.853 -14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 131 14.032 8.639 -14.632 1.00 0.00 H new ATOM 2112 N ALA A 132 9.428 8.697 -12.145 1.00 0.00 N ATOM 2113 CA ALA A 132 8.071 8.168 -12.195 1.00 0.00 C ATOM 2114 C ALA A 132 7.163 8.887 -11.203 1.00 0.00 C ATOM 2115 O ALA A 132 5.938 8.830 -11.314 1.00 0.00 O ATOM 2116 CB ALA A 132 8.078 6.672 -11.918 1.00 0.00 C ATOM 0 H ALA A 132 10.118 8.054 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 132 7.678 8.340 -13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 132 7.058 6.290 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.685 6.166 -12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 132 8.496 6.487 -10.928 1.00 0.00 H new ATOM 2122 N ILE A 133 7.772 9.564 -10.235 1.00 0.00 N ATOM 2123 CA ILE A 133 7.018 10.294 -9.224 1.00 0.00 C ATOM 2124 C ILE A 133 6.593 11.665 -9.740 1.00 0.00 C ATOM 2125 O ILE A 133 6.959 12.694 -9.172 1.00 0.00 O ATOM 2126 CB ILE A 133 7.837 10.476 -7.933 1.00 0.00 C ATOM 2127 CG1 ILE A 133 8.285 9.116 -7.391 1.00 0.00 C ATOM 2128 CG2 ILE A 133 7.022 11.225 -6.889 1.00 0.00 C ATOM 2129 CD1 ILE A 133 7.144 8.265 -6.879 1.00 0.00 C ATOM 0 H ILE A 133 8.785 9.622 -10.130 1.00 0.00 H new ATOM 0 HA ILE A 133 6.131 9.700 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 133 8.725 11.065 -8.164 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.807 8.574 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 133 9.001 9.273 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 133 7.615 11.346 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.748 12.206 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 133 6.118 10.660 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 133 7.534 7.316 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.636 8.787 -6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.439 8.077 -7.688 1.00 0.00 H new ATOM 2141 N ALA A 134 5.816 11.670 -10.818 1.00 0.00 N ATOM 2142 CA ALA A 134 5.337 12.914 -11.408 1.00 0.00 C ATOM 2143 C ALA A 134 3.919 13.231 -10.945 1.00 0.00 C ATOM 2144 O ALA A 134 3.081 12.337 -10.825 1.00 0.00 O ATOM 2145 CB ALA A 134 5.393 12.834 -12.926 1.00 0.00 C ATOM 0 H ALA A 134 5.505 10.827 -11.300 1.00 0.00 H new ATOM 0 HA ALA A 134 5.989 13.721 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.032 13.770 -13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.422 12.663 -13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.765 12.012 -13.270 1.00 0.00 H new ATOM 2151 N ILE A 135 3.658 14.508 -10.685 1.00 0.00 N ATOM 2152 CA ILE A 135 2.341 14.941 -10.236 1.00 0.00 C ATOM 2153 C ILE A 135 1.796 14.014 -9.154 1.00 0.00 C ATOM 2154 O ILE A 135 0.670 13.527 -9.249 1.00 0.00 O ATOM 2155 CB ILE A 135 1.337 14.996 -11.403 1.00 0.00 C ATOM 2156 CG1 ILE A 135 2.000 15.590 -12.647 1.00 0.00 C ATOM 2157 CG2 ILE A 135 0.111 15.807 -11.010 1.00 0.00 C ATOM 2158 CD1 ILE A 135 2.770 16.863 -12.372 1.00 0.00 C ATOM 0 H ILE A 135 4.341 15.260 -10.778 1.00 0.00 H new ATOM 0 HA ILE A 135 2.462 15.943 -9.825 1.00 0.00 H new ATOM 0 HB ILE A 135 1.017 13.980 -11.635 1.00 0.00 H new ATOM 0 HG12 ILE A 135 2.677 14.851 -13.076 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.234 15.793 -13.395 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.589 15.836 -11.845 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -0.371 15.344 -10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.413 16.822 -10.754 1.00 0.00 H new ATOM 0 HD11 ILE A 135 3.213 17.228 -13.299 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.094 17.618 -11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.559 16.662 -11.647 1.00 0.00 H new ATOM 2170 N SER A 136 2.603 13.777 -8.125 1.00 0.00 N ATOM 2171 CA SER A 136 2.203 12.907 -7.025 1.00 0.00 C ATOM 2172 C SER A 136 2.322 13.632 -5.688 1.00 0.00 C ATOM 2173 O SER A 136 3.395 14.105 -5.319 1.00 0.00 O ATOM 2174 CB SER A 136 3.062 11.641 -7.010 1.00 0.00 C ATOM 2175 OG SER A 136 2.761 10.833 -5.886 1.00 0.00 O ATOM 0 H SER A 136 3.537 14.175 -8.030 1.00 0.00 H new ATOM 0 HA SER A 136 1.160 12.628 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 136 2.894 11.073 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 136 4.117 11.914 -6.993 1.00 0.00 H new ATOM 0 HG SER A 136 3.322 10.030 -5.901 1.00 0.00 H new ATOM 2181 N GLY A 137 1.208 13.714 -4.966 1.00 0.00 N ATOM 2182 CA GLY A 137 1.208 14.382 -3.678 1.00 0.00 C ATOM 2183 C GLY A 137 0.881 15.858 -3.790 1.00 0.00 C ATOM 2184 O GLY A 137 1.225 16.519 -4.771 1.00 0.00 O ATOM 0 H GLY A 137 0.307 13.330 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 137 0.482 13.901 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 137 2.186 14.264 -3.211 1.00 0.00 H new ATOM 2188 N PRO A 138 0.199 16.397 -2.769 1.00 0.00 N ATOM 2189 CA PRO A 138 -0.190 17.810 -2.735 1.00 0.00 C ATOM 2190 C PRO A 138 1.007 18.737 -2.553 1.00 0.00 C ATOM 2191 O PRO A 138 1.078 19.803 -3.165 1.00 0.00 O ATOM 2192 CB PRO A 138 -1.119 17.893 -1.521 1.00 0.00 C ATOM 2193 CG PRO A 138 -0.698 16.765 -0.644 1.00 0.00 C ATOM 2194 CD PRO A 138 -0.244 15.669 -1.568 1.00 0.00 C ATOM 0 HA PRO A 138 -0.656 18.127 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -1.018 18.851 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -2.164 17.797 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 138 0.107 17.070 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -1.524 16.429 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 138 0.566 15.085 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -1.052 14.974 -1.795 1.00 0.00 H new ATOM 2202 N SER A 139 1.946 18.324 -1.708 1.00 0.00 N ATOM 2203 CA SER A 139 3.140 19.120 -1.443 1.00 0.00 C ATOM 2204 C SER A 139 3.697 19.710 -2.735 1.00 0.00 C ATOM 2205 O SER A 139 3.991 18.985 -3.685 1.00 0.00 O ATOM 2206 CB SER A 139 4.207 18.264 -0.757 1.00 0.00 C ATOM 2207 OG SER A 139 5.090 19.067 0.007 1.00 0.00 O ATOM 0 H SER A 139 1.904 17.443 -1.195 1.00 0.00 H new ATOM 0 HA SER A 139 2.861 19.940 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 139 3.728 17.529 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 139 4.771 17.710 -1.507 1.00 0.00 H new ATOM 0 HG SER A 139 5.761 18.497 0.437 1.00 0.00 H new ATOM 2213 N SER A 140 3.840 21.031 -2.761 1.00 0.00 N ATOM 2214 CA SER A 140 4.358 21.720 -3.937 1.00 0.00 C ATOM 2215 C SER A 140 5.854 21.466 -4.101 1.00 0.00 C ATOM 2216 O SER A 140 6.644 21.742 -3.199 1.00 0.00 O ATOM 2217 CB SER A 140 4.094 23.223 -3.831 1.00 0.00 C ATOM 2218 OG SER A 140 2.709 23.489 -3.684 1.00 0.00 O ATOM 0 H SER A 140 3.605 21.645 -1.982 1.00 0.00 H new ATOM 0 HA SER A 140 3.842 21.328 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 140 4.638 23.632 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 140 4.471 23.725 -4.722 1.00 0.00 H new ATOM 0 HG SER A 140 2.567 24.456 -3.617 1.00 0.00 H new ATOM 2224 N GLY A 141 6.234 20.937 -5.260 1.00 0.00 N ATOM 2225 CA GLY A 141 7.633 20.653 -5.522 1.00 0.00 C ATOM 2226 C GLY A 141 7.832 19.334 -6.242 1.00 0.00 C ATOM 2227 O GLY A 141 8.908 19.110 -6.794 1.00 0.00 O ATOM 0 H GLY A 141 5.598 20.700 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 141 8.058 21.458 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 141 8.180 20.635 -4.579 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.211 -8.761 4.154 1.00 0.00 ZN