USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=33 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+ -164:sc= 0.00598 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0.0076 USER MOD Set 2.1: A 44 SER OG : rot 168:sc= 0.023 USER MOD Set 2.2: A 59 HIS : no HD1:sc= 0.698 K(o=0.97,f=-3) USER MOD Set 2.3: A 67 SER OG : rot 162:sc= 0.251 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.243 USER MOD Single : A 3 SER OG : rot 23:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -56:sc= 0.351 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.8!) USER MOD Single : A 16 HIS : no HE2:sc= -7.25! C(o=-7.3!,f=-10!) USER MOD Single : A 17 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.5) 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= -2.23 K(o=-2.2,f=-6.7!) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.719) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.9 F(o=-3.2!,f=-1.9) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 HIS : no HD1:sc= -5.36! C(o=-5.4!,f=-7.7!) USER MOD Single : A 70 LYS NZ :NH3+ 141:sc= -2.26! (180deg=-2.85!) USER MOD Single : A 71 SER OG : rot -100:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.81! C(o=-2.8!,f=-7.1!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 81 GLN : amide:sc= -2.9 K(o=-2.9,f=-6.3!) USER MOD Single : A 83 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.51) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -131:sc= -3.89! (180deg=-4.68!) USER MOD Single : A 86 GLN : amide:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 88 MET CE :methyl -165:sc= -1.46 (180deg=-1.66) USER MOD Single : A 90 ASN : amide:sc= -0.926 K(o=-0.93,f=-7.4!) 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 :FLIP amide:sc= -1.87 F(o=-6.8!,f=-1.9) USER MOD Single : A 104 ASN :FLIP amide:sc= 0.129! F(o=-1.1,f=0.13!) USER MOD Single : A 109 GLN :FLIP amide:sc= 0.0188 F(o=-0.73,f=0.019) USER MOD Single : A 110 THR OG1 : rot 32:sc= 0.149 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 157:sc= 0.0735 (180deg=-0.0746) USER MOD Single : A 122 TYR OH : rot -121:sc= 0.622 USER MOD Single : A 124 LYS NZ :NH3+ -161:sc= 0.419 (180deg=0.302) USER MOD Single : A 125 LYS NZ :NH3+ -116:sc= 1.26 (180deg=-0.361) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.2!) 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 -2.892 -16.033 -5.866 1.00 0.00 N ATOM 2 CA GLY A 1 -3.618 -17.275 -5.672 1.00 0.00 C ATOM 3 C GLY A 1 -4.958 -17.279 -6.381 1.00 0.00 C ATOM 4 O GLY A 1 -5.021 -17.179 -7.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.983 -16.080 -5.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.718 -15.887 -6.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.454 -15.241 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.015 -18.106 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.774 -17.439 -4.606 1.00 0.00 H new ATOM 8 N SER A 2 -6.033 -17.398 -5.609 1.00 0.00 N ATOM 9 CA SER A 2 -7.379 -17.421 -6.170 1.00 0.00 C ATOM 10 C SER A 2 -8.429 -17.287 -5.071 1.00 0.00 C ATOM 11 O SER A 2 -8.444 -18.061 -4.115 1.00 0.00 O ATOM 12 CB SER A 2 -7.606 -18.716 -6.952 1.00 0.00 C ATOM 13 OG SER A 2 -7.405 -19.851 -6.128 1.00 0.00 O ATOM 0 H SER A 2 -5.998 -17.480 -4.593 1.00 0.00 H new ATOM 0 HA SER A 2 -7.478 -16.573 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.619 -18.729 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.925 -18.755 -7.803 1.00 0.00 H new ATOM 0 HG SER A 2 -7.704 -19.651 -5.216 1.00 0.00 H new ATOM 19 N SER A 3 -9.305 -16.297 -5.216 1.00 0.00 N ATOM 20 CA SER A 3 -10.356 -16.058 -4.234 1.00 0.00 C ATOM 21 C SER A 3 -11.662 -15.671 -4.921 1.00 0.00 C ATOM 22 O SER A 3 -11.668 -15.246 -6.076 1.00 0.00 O ATOM 23 CB SER A 3 -9.933 -14.956 -3.261 1.00 0.00 C ATOM 24 OG SER A 3 -9.178 -15.487 -2.186 1.00 0.00 O ATOM 0 H SER A 3 -9.307 -15.648 -6.003 1.00 0.00 H new ATOM 0 HA SER A 3 -10.517 -16.982 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.343 -14.207 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.817 -14.450 -2.873 1.00 0.00 H new ATOM 0 HG SER A 3 -8.783 -16.343 -2.455 1.00 0.00 H new ATOM 30 N GLY A 4 -12.770 -15.822 -4.201 1.00 0.00 N ATOM 31 CA GLY A 4 -14.068 -15.485 -4.756 1.00 0.00 C ATOM 32 C GLY A 4 -14.980 -14.828 -3.739 1.00 0.00 C ATOM 33 O GLY A 4 -15.363 -15.448 -2.747 1.00 0.00 O ATOM 0 H GLY A 4 -12.792 -16.172 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.934 -14.815 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.544 -16.389 -5.135 1.00 0.00 H new ATOM 37 N SER A 5 -15.329 -13.569 -3.986 1.00 0.00 N ATOM 38 CA SER A 5 -16.198 -12.826 -3.081 1.00 0.00 C ATOM 39 C SER A 5 -17.650 -13.267 -3.238 1.00 0.00 C ATOM 40 O SER A 5 -18.337 -12.857 -4.173 1.00 0.00 O ATOM 41 CB SER A 5 -16.078 -11.324 -3.344 1.00 0.00 C ATOM 42 OG SER A 5 -14.821 -10.830 -2.916 1.00 0.00 O ATOM 0 H SER A 5 -15.023 -13.043 -4.805 1.00 0.00 H new ATOM 0 HA SER A 5 -15.882 -13.035 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.207 -11.127 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.876 -10.796 -2.823 1.00 0.00 H new ATOM 0 HG SER A 5 -14.769 -9.868 -3.097 1.00 0.00 H new ATOM 48 N SER A 6 -18.111 -14.106 -2.315 1.00 0.00 N ATOM 49 CA SER A 6 -19.480 -14.606 -2.352 1.00 0.00 C ATOM 50 C SER A 6 -20.366 -13.837 -1.377 1.00 0.00 C ATOM 51 O SER A 6 -21.197 -14.420 -0.682 1.00 0.00 O ATOM 52 CB SER A 6 -19.509 -16.099 -2.016 1.00 0.00 C ATOM 53 OG SER A 6 -20.785 -16.656 -2.278 1.00 0.00 O ATOM 0 H SER A 6 -17.556 -14.453 -1.533 1.00 0.00 H new ATOM 0 HA SER A 6 -19.867 -14.460 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.753 -16.622 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.254 -16.244 -0.966 1.00 0.00 H new ATOM 0 HG SER A 6 -21.468 -16.157 -1.783 1.00 0.00 H new ATOM 59 N GLY A 7 -20.182 -12.521 -1.333 1.00 0.00 N ATOM 60 CA GLY A 7 -20.971 -11.691 -0.441 1.00 0.00 C ATOM 61 C GLY A 7 -21.938 -10.793 -1.188 1.00 0.00 C ATOM 62 O GLY A 7 -21.814 -10.606 -2.398 1.00 0.00 O ATOM 0 H GLY A 7 -19.501 -12.015 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.528 -12.328 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.304 -11.077 0.164 1.00 0.00 H new ATOM 66 N LYS A 8 -22.905 -10.237 -0.465 1.00 0.00 N ATOM 67 CA LYS A 8 -23.898 -9.354 -1.066 1.00 0.00 C ATOM 68 C LYS A 8 -23.519 -7.891 -0.861 1.00 0.00 C ATOM 69 O LYS A 8 -23.373 -7.138 -1.823 1.00 0.00 O ATOM 70 CB LYS A 8 -25.279 -9.624 -0.465 1.00 0.00 C ATOM 71 CG LYS A 8 -26.062 -10.700 -1.198 1.00 0.00 C ATOM 72 CD LYS A 8 -25.790 -12.078 -0.619 1.00 0.00 C ATOM 73 CE LYS A 8 -24.516 -12.682 -1.191 1.00 0.00 C ATOM 74 NZ LYS A 8 -24.581 -14.168 -1.242 1.00 0.00 N ATOM 0 H LYS A 8 -23.022 -10.382 0.538 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.929 -9.556 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -25.161 -9.919 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -25.856 -8.699 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.128 -10.482 -1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -25.796 -10.689 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.706 -12.008 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -26.633 -12.736 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -24.348 -12.291 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.664 -12.376 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.694 -14.541 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -24.716 -14.543 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -25.378 -14.460 -1.843 1.00 0.00 H new ATOM 88 N ALA A 9 -23.361 -7.496 0.398 1.00 0.00 N ATOM 89 CA ALA A 9 -22.995 -6.124 0.728 1.00 0.00 C ATOM 90 C ALA A 9 -21.680 -6.076 1.498 1.00 0.00 C ATOM 91 O ALA A 9 -21.548 -5.335 2.472 1.00 0.00 O ATOM 92 CB ALA A 9 -24.104 -5.462 1.532 1.00 0.00 C ATOM 0 H ALA A 9 -23.481 -8.107 1.206 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.859 -5.576 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -23.818 -4.438 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -25.023 -5.454 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.267 -6.019 2.455 1.00 0.00 H new ATOM 98 N GLN A 10 -20.711 -6.872 1.056 1.00 0.00 N ATOM 99 CA GLN A 10 -19.407 -6.920 1.706 1.00 0.00 C ATOM 100 C GLN A 10 -18.582 -5.684 1.364 1.00 0.00 C ATOM 101 O GLN A 10 -18.029 -5.029 2.247 1.00 0.00 O ATOM 102 CB GLN A 10 -18.652 -8.183 1.288 1.00 0.00 C ATOM 103 CG GLN A 10 -18.941 -9.385 2.173 1.00 0.00 C ATOM 104 CD GLN A 10 -17.889 -10.469 2.046 1.00 0.00 C ATOM 105 OE1 GLN A 10 -17.228 -10.826 3.021 1.00 0.00 O ATOM 106 NE2 GLN A 10 -17.728 -11.000 0.839 1.00 0.00 N ATOM 0 H GLN A 10 -20.805 -7.492 0.251 1.00 0.00 H new ATOM 0 HA GLN A 10 -19.567 -6.940 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.913 -8.429 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.581 -7.979 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -19.000 -9.061 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.916 -9.797 1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.298 -10.674 0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.035 -11.734 0.693 1.00 0.00 H new ATOM 115 N LYS A 11 -18.504 -5.369 0.075 1.00 0.00 N ATOM 116 CA LYS A 11 -17.747 -4.211 -0.386 1.00 0.00 C ATOM 117 C LYS A 11 -18.236 -2.936 0.295 1.00 0.00 C ATOM 118 O LYS A 11 -17.438 -2.079 0.678 1.00 0.00 O ATOM 119 CB LYS A 11 -17.867 -4.069 -1.905 1.00 0.00 C ATOM 120 CG LYS A 11 -16.804 -4.835 -2.673 1.00 0.00 C ATOM 121 CD LYS A 11 -15.529 -4.023 -2.822 1.00 0.00 C ATOM 122 CE LYS A 11 -14.497 -4.756 -3.665 1.00 0.00 C ATOM 123 NZ LYS A 11 -13.568 -3.813 -4.348 1.00 0.00 N ATOM 0 H LYS A 11 -18.956 -5.900 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.700 -4.364 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -18.851 -4.418 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.804 -3.013 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.583 -5.769 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.186 -5.099 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.760 -3.062 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.113 -3.813 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.925 -5.434 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.005 -5.369 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.880 -4.351 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.110 -3.183 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.064 -3.246 -3.637 1.00 0.00 H new ATOM 137 N LEU A 12 -19.551 -2.817 0.443 1.00 0.00 N ATOM 138 CA LEU A 12 -20.147 -1.647 1.079 1.00 0.00 C ATOM 139 C LEU A 12 -19.374 -1.258 2.336 1.00 0.00 C ATOM 140 O LEU A 12 -18.825 -0.161 2.424 1.00 0.00 O ATOM 141 CB LEU A 12 -21.610 -1.922 1.430 1.00 0.00 C ATOM 142 CG LEU A 12 -22.409 -0.731 1.959 1.00 0.00 C ATOM 143 CD1 LEU A 12 -22.900 0.135 0.810 1.00 0.00 C ATOM 144 CD2 LEU A 12 -23.579 -1.207 2.808 1.00 0.00 C ATOM 0 H LEU A 12 -20.225 -3.516 0.131 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.100 -0.817 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.111 -2.303 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -21.641 -2.715 2.177 1.00 0.00 H new ATOM 0 HG LEU A 12 -21.752 -0.128 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.467 0.978 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.046 0.506 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -23.540 -0.457 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -24.136 -0.345 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -24.236 -1.833 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -23.204 -1.784 3.653 1.00 0.00 H new ATOM 156 N ASN A 13 -19.336 -2.167 3.305 1.00 0.00 N ATOM 157 CA ASN A 13 -18.629 -1.919 4.557 1.00 0.00 C ATOM 158 C ASN A 13 -17.182 -1.515 4.293 1.00 0.00 C ATOM 159 O ASN A 13 -16.666 -1.703 3.192 1.00 0.00 O ATOM 160 CB ASN A 13 -18.669 -3.165 5.444 1.00 0.00 C ATOM 161 CG ASN A 13 -19.942 -3.249 6.265 1.00 0.00 C ATOM 162 OD1 ASN A 13 -19.961 -2.881 7.440 1.00 0.00 O ATOM 163 ND2 ASN A 13 -21.012 -3.736 5.649 1.00 0.00 N ATOM 0 H ASN A 13 -19.786 -3.081 3.248 1.00 0.00 H new ATOM 0 HA ASN A 13 -19.129 -1.098 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.583 -4.055 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.808 -3.160 6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.896 -3.817 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.950 -4.029 4.674 1.00 0.00 H new ATOM 170 N GLU A 14 -16.533 -0.960 5.313 1.00 0.00 N ATOM 171 CA GLU A 14 -15.146 -0.530 5.191 1.00 0.00 C ATOM 172 C GLU A 14 -14.321 -1.007 6.383 1.00 0.00 C ATOM 173 O GLU A 14 -14.036 -0.239 7.300 1.00 0.00 O ATOM 174 CB GLU A 14 -15.069 0.995 5.082 1.00 0.00 C ATOM 175 CG GLU A 14 -13.830 1.491 4.355 1.00 0.00 C ATOM 176 CD GLU A 14 -13.844 1.149 2.878 1.00 0.00 C ATOM 177 OE1 GLU A 14 -14.743 1.640 2.164 1.00 0.00 O ATOM 178 OE2 GLU A 14 -12.955 0.391 2.436 1.00 0.00 O ATOM 0 H GLU A 14 -16.946 -0.798 6.232 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.734 -0.974 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.955 1.359 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.088 1.424 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.752 2.572 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.944 1.055 4.817 1.00 0.00 H new ATOM 185 N GLN A 15 -13.942 -2.281 6.360 1.00 0.00 N ATOM 186 CA GLN A 15 -13.152 -2.861 7.439 1.00 0.00 C ATOM 187 C GLN A 15 -11.668 -2.868 7.085 1.00 0.00 C ATOM 188 O GLN A 15 -11.228 -3.629 6.223 1.00 0.00 O ATOM 189 CB GLN A 15 -13.623 -4.286 7.736 1.00 0.00 C ATOM 190 CG GLN A 15 -12.975 -4.897 8.968 1.00 0.00 C ATOM 191 CD GLN A 15 -13.606 -4.415 10.259 1.00 0.00 C ATOM 192 OE1 GLN A 15 -13.676 -3.214 10.519 1.00 0.00 O ATOM 193 NE2 GLN A 15 -14.070 -5.353 11.077 1.00 0.00 N ATOM 0 H GLN A 15 -14.169 -2.930 5.607 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.292 -2.246 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.705 -4.282 7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.410 -4.917 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.052 -5.983 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.913 -4.653 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.991 -6.337 10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.505 -5.089 11.961 1.00 0.00 H new ATOM 202 N HIS A 16 -10.901 -2.014 7.755 1.00 0.00 N ATOM 203 CA HIS A 16 -9.466 -1.921 7.511 1.00 0.00 C ATOM 204 C HIS A 16 -8.801 -3.287 7.653 1.00 0.00 C ATOM 205 O HIS A 16 -8.257 -3.826 6.690 1.00 0.00 O ATOM 206 CB HIS A 16 -8.826 -0.926 8.479 1.00 0.00 C ATOM 207 CG HIS A 16 -9.621 0.330 8.661 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.747 0.972 9.874 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.333 1.063 7.773 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.503 2.045 9.725 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.871 2.123 8.459 1.00 0.00 N ATOM 0 H HIS A 16 -11.249 -1.376 8.471 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.318 -1.569 6.490 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.696 -1.407 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.831 -0.667 8.116 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -9.323 0.666 10.750 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.455 0.853 6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.774 2.740 10.506 1.00 0.00 H new ATOM 219 N GLN A 17 -8.849 -3.840 8.861 1.00 0.00 N ATOM 220 CA GLN A 17 -8.250 -5.143 9.128 1.00 0.00 C ATOM 221 C GLN A 17 -8.370 -6.057 7.913 1.00 0.00 C ATOM 222 O GLN A 17 -7.365 -6.474 7.336 1.00 0.00 O ATOM 223 CB GLN A 17 -8.918 -5.795 10.340 1.00 0.00 C ATOM 224 CG GLN A 17 -8.354 -5.326 11.672 1.00 0.00 C ATOM 225 CD GLN A 17 -6.840 -5.382 11.717 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.233 -6.380 11.327 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.221 -4.309 12.195 1.00 0.00 N ATOM 0 H GLN A 17 -9.296 -3.407 9.669 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.192 -4.992 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.987 -5.583 10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.806 -6.877 10.268 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.682 -4.304 11.861 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.761 -5.944 12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.764 -3.504 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.203 -4.290 12.250 1.00 0.00 H new ATOM 236 N LEU A 18 -9.604 -6.364 7.530 1.00 0.00 N ATOM 237 CA LEU A 18 -9.856 -7.230 6.383 1.00 0.00 C ATOM 238 C LEU A 18 -9.080 -6.753 5.160 1.00 0.00 C ATOM 239 O LEU A 18 -8.349 -7.523 4.537 1.00 0.00 O ATOM 240 CB LEU A 18 -11.352 -7.270 6.068 1.00 0.00 C ATOM 241 CG LEU A 18 -11.866 -8.553 5.413 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.934 -9.681 6.431 1.00 0.00 C ATOM 243 CD2 LEU A 18 -13.230 -8.319 4.781 1.00 0.00 C ATOM 0 H LEU A 18 -10.446 -6.026 7.996 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.517 -8.235 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.903 -7.114 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.587 -6.432 5.412 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.169 -8.842 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.302 -10.586 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.939 -9.865 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.610 -9.401 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.580 -9.242 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.938 -8.005 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.150 -7.541 4.021 1.00 0.00 H new ATOM 255 N ILE A 19 -9.241 -5.477 4.824 1.00 0.00 N ATOM 256 CA ILE A 19 -8.553 -4.897 3.678 1.00 0.00 C ATOM 257 C ILE A 19 -7.063 -5.219 3.710 1.00 0.00 C ATOM 258 O ILE A 19 -6.530 -5.841 2.790 1.00 0.00 O ATOM 259 CB ILE A 19 -8.735 -3.369 3.626 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.209 -3.016 3.414 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.877 -2.770 2.522 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.586 -1.651 3.945 1.00 0.00 C ATOM 0 H ILE A 19 -9.842 -4.826 5.329 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.999 -5.338 2.787 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.413 -2.947 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.434 -3.057 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.828 -3.770 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.017 -1.689 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.828 -2.996 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.170 -3.195 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.645 -1.468 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.393 -1.611 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.993 -0.888 3.441 1.00 0.00 H new ATOM 274 N LEU A 20 -6.395 -4.793 4.777 1.00 0.00 N ATOM 275 CA LEU A 20 -4.965 -5.038 4.931 1.00 0.00 C ATOM 276 C LEU A 20 -4.619 -6.484 4.589 1.00 0.00 C ATOM 277 O LEU A 20 -3.614 -6.754 3.933 1.00 0.00 O ATOM 278 CB LEU A 20 -4.525 -4.721 6.362 1.00 0.00 C ATOM 279 CG LEU A 20 -4.427 -3.238 6.721 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.471 -3.051 8.230 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.157 -2.632 6.143 1.00 0.00 C ATOM 0 H LEU A 20 -6.820 -4.277 5.547 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.433 -4.384 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.225 -5.195 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.551 -5.180 6.532 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.282 -2.721 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.400 -1.990 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.409 -3.448 8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.636 -3.582 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.104 -1.576 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.289 -3.152 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.167 -2.733 5.058 1.00 0.00 H new ATOM 293 N SER A 21 -5.461 -7.410 5.037 1.00 0.00 N ATOM 294 CA SER A 21 -5.244 -8.829 4.780 1.00 0.00 C ATOM 295 C SER A 21 -5.525 -9.165 3.318 1.00 0.00 C ATOM 296 O SER A 21 -4.840 -9.993 2.717 1.00 0.00 O ATOM 297 CB SER A 21 -6.136 -9.676 5.690 1.00 0.00 C ATOM 298 OG SER A 21 -6.193 -11.018 5.241 1.00 0.00 O ATOM 0 H SER A 21 -6.300 -7.203 5.580 1.00 0.00 H new ATOM 0 HA SER A 21 -4.200 -9.056 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.753 -9.646 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.141 -9.254 5.715 1.00 0.00 H new ATOM 0 HG SER A 21 -6.768 -11.539 5.840 1.00 0.00 H new ATOM 304 N LYS A 22 -6.537 -8.516 2.752 1.00 0.00 N ATOM 305 CA LYS A 22 -6.910 -8.743 1.361 1.00 0.00 C ATOM 306 C LYS A 22 -5.725 -8.496 0.433 1.00 0.00 C ATOM 307 O LYS A 22 -5.499 -9.248 -0.516 1.00 0.00 O ATOM 308 CB LYS A 22 -8.077 -7.834 0.969 1.00 0.00 C ATOM 309 CG LYS A 22 -9.441 -8.455 1.214 1.00 0.00 C ATOM 310 CD LYS A 22 -10.562 -7.474 0.915 1.00 0.00 C ATOM 311 CE LYS A 22 -11.907 -8.178 0.815 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.977 -7.263 0.331 1.00 0.00 N ATOM 0 H LYS A 22 -7.114 -7.828 3.236 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.218 -9.783 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.005 -6.902 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.988 -7.578 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.556 -9.341 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.511 -8.784 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.604 -6.717 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.352 -6.954 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.822 -9.028 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.183 -8.575 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.878 -7.780 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.075 -6.465 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.726 -6.904 -0.612 1.00 0.00 H new ATOM 326 N LEU A 23 -4.970 -7.440 0.713 1.00 0.00 N ATOM 327 CA LEU A 23 -3.806 -7.094 -0.096 1.00 0.00 C ATOM 328 C LEU A 23 -2.747 -8.189 -0.020 1.00 0.00 C ATOM 329 O LEU A 23 -2.259 -8.667 -1.045 1.00 0.00 O ATOM 330 CB LEU A 23 -3.215 -5.762 0.369 1.00 0.00 C ATOM 331 CG LEU A 23 -4.221 -4.655 0.685 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.508 -3.423 1.222 1.00 0.00 C ATOM 333 CD2 LEU A 23 -5.035 -4.305 -0.552 1.00 0.00 C ATOM 0 H LEU A 23 -5.143 -6.808 1.495 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.129 -6.998 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.615 -5.945 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.537 -5.399 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.903 -5.019 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.240 -2.646 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.970 -3.682 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.802 -3.057 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.746 -3.515 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.367 -3.961 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.576 -5.188 -0.893 1.00 0.00 H new ATOM 345 N LEU A 24 -2.396 -8.582 1.199 1.00 0.00 N ATOM 346 CA LEU A 24 -1.395 -9.622 1.409 1.00 0.00 C ATOM 347 C LEU A 24 -1.731 -10.872 0.601 1.00 0.00 C ATOM 348 O LEU A 24 -0.881 -11.411 -0.108 1.00 0.00 O ATOM 349 CB LEU A 24 -1.299 -9.972 2.895 1.00 0.00 C ATOM 350 CG LEU A 24 -0.674 -8.907 3.797 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.987 -9.193 5.257 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.830 -8.836 3.575 1.00 0.00 C ATOM 0 H LEU A 24 -2.790 -8.196 2.057 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.432 -9.240 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.302 -10.187 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.719 -10.890 2.995 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.105 -7.940 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.534 -8.425 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.067 -9.191 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.585 -10.168 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.258 -8.073 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.278 -9.802 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.033 -8.582 2.535 1.00 0.00 H new ATOM 364 N ARG A 25 -2.975 -11.325 0.712 1.00 0.00 N ATOM 365 CA ARG A 25 -3.423 -12.511 -0.008 1.00 0.00 C ATOM 366 C ARG A 25 -2.872 -12.523 -1.431 1.00 0.00 C ATOM 367 O ARG A 25 -2.426 -13.558 -1.925 1.00 0.00 O ATOM 368 CB ARG A 25 -4.952 -12.565 -0.042 1.00 0.00 C ATOM 369 CG ARG A 25 -5.581 -12.850 1.312 1.00 0.00 C ATOM 370 CD ARG A 25 -7.099 -12.887 1.224 1.00 0.00 C ATOM 371 NE ARG A 25 -7.598 -14.229 0.938 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.753 -15.169 1.863 1.00 0.00 C ATOM 373 NH1 ARG A 25 -7.448 -14.914 3.128 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.213 -16.366 1.524 1.00 0.00 N ATOM 0 H ARG A 25 -3.691 -10.889 1.293 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.046 -13.389 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.333 -11.615 -0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.264 -13.335 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.214 -13.804 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.275 -12.084 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.525 -12.534 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.434 -12.202 0.445 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.841 -14.457 -0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.094 -13.995 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.568 -15.637 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.448 -16.565 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.332 -17.087 2.236 1.00 0.00 H new ATOM 388 N GLU A 26 -2.906 -11.365 -2.084 1.00 0.00 N ATOM 389 CA GLU A 26 -2.411 -11.244 -3.450 1.00 0.00 C ATOM 390 C GLU A 26 -0.969 -11.731 -3.551 1.00 0.00 C ATOM 391 O GLU A 26 -0.155 -11.483 -2.661 1.00 0.00 O ATOM 392 CB GLU A 26 -2.505 -9.792 -3.923 1.00 0.00 C ATOM 393 CG GLU A 26 -3.931 -9.304 -4.111 1.00 0.00 C ATOM 394 CD GLU A 26 -4.491 -9.652 -5.477 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.247 -8.885 -6.432 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.174 -10.692 -5.590 1.00 0.00 O ATOM 0 H GLU A 26 -3.271 -10.498 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.033 -11.869 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.003 -9.150 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.968 -9.691 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.565 -9.741 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.962 -8.223 -3.974 1.00 0.00 H new ATOM 403 N GLU A 27 -0.660 -12.427 -4.641 1.00 0.00 N ATOM 404 CA GLU A 27 0.684 -12.951 -4.857 1.00 0.00 C ATOM 405 C GLU A 27 1.720 -11.832 -4.796 1.00 0.00 C ATOM 406 O GLU A 27 2.840 -12.034 -4.328 1.00 0.00 O ATOM 407 CB GLU A 27 0.766 -13.664 -6.208 1.00 0.00 C ATOM 408 CG GLU A 27 2.037 -14.476 -6.392 1.00 0.00 C ATOM 409 CD GLU A 27 2.338 -14.766 -7.849 1.00 0.00 C ATOM 410 OE1 GLU A 27 2.774 -13.837 -8.561 1.00 0.00 O ATOM 411 OE2 GLU A 27 2.139 -15.922 -8.278 1.00 0.00 O ATOM 0 H GLU A 27 -1.321 -12.641 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 27 0.900 -13.666 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.095 -14.324 -6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.700 -12.923 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.875 -13.936 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.944 -15.417 -5.850 1.00 0.00 H new ATOM 418 N ASP A 28 1.337 -10.653 -5.273 1.00 0.00 N ATOM 419 CA ASP A 28 2.231 -9.501 -5.273 1.00 0.00 C ATOM 420 C ASP A 28 2.619 -9.114 -3.849 1.00 0.00 C ATOM 421 O ASP A 28 3.594 -8.396 -3.634 1.00 0.00 O ATOM 422 CB ASP A 28 1.570 -8.314 -5.975 1.00 0.00 C ATOM 423 CG ASP A 28 1.204 -8.623 -7.414 1.00 0.00 C ATOM 424 OD1 ASP A 28 2.060 -8.419 -8.301 1.00 0.00 O ATOM 425 OD2 ASP A 28 0.063 -9.070 -7.653 1.00 0.00 O ATOM 0 H ASP A 28 0.413 -10.470 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 28 3.136 -9.775 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.672 -8.026 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.246 -7.459 -5.950 1.00 0.00 H new ATOM 430 N ASN A 29 1.847 -9.594 -2.880 1.00 0.00 N ATOM 431 CA ASN A 29 2.108 -9.297 -1.476 1.00 0.00 C ATOM 432 C ASN A 29 2.211 -10.581 -0.658 1.00 0.00 C ATOM 433 O ASN A 29 2.042 -10.569 0.561 1.00 0.00 O ATOM 434 CB ASN A 29 1.003 -8.405 -0.908 1.00 0.00 C ATOM 435 CG ASN A 29 0.735 -7.191 -1.777 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.435 -6.952 -2.761 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.282 -6.418 -1.417 1.00 0.00 N ATOM 0 H ASN A 29 1.035 -10.190 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 29 3.060 -8.770 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.086 -8.986 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.283 -8.077 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.510 -5.588 -1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.836 -6.654 -0.594 1.00 0.00 H new ATOM 444 N LYS A 30 2.490 -11.688 -1.338 1.00 0.00 N ATOM 445 CA LYS A 30 2.619 -12.981 -0.676 1.00 0.00 C ATOM 446 C LYS A 30 3.978 -13.112 0.002 1.00 0.00 C ATOM 447 O LYS A 30 4.147 -13.906 0.929 1.00 0.00 O ATOM 448 CB LYS A 30 2.429 -14.115 -1.686 1.00 0.00 C ATOM 449 CG LYS A 30 0.986 -14.568 -1.828 1.00 0.00 C ATOM 450 CD LYS A 30 0.492 -15.259 -0.569 1.00 0.00 C ATOM 451 CE LYS A 30 -0.712 -16.144 -0.855 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.378 -17.249 -1.795 1.00 0.00 N ATOM 0 H LYS A 30 2.631 -11.716 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 30 1.844 -13.049 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.796 -13.789 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.040 -14.966 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.353 -13.707 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.899 -15.248 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.295 -15.861 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.226 -14.511 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.085 -16.563 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.515 -15.539 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.026 -18.047 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.476 -16.913 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.601 -17.560 -1.632 1.00 0.00 H new ATOM 466 N TYR A 31 4.945 -12.329 -0.463 1.00 0.00 N ATOM 467 CA TYR A 31 6.290 -12.359 0.098 1.00 0.00 C ATOM 468 C TYR A 31 6.853 -10.948 0.238 1.00 0.00 C ATOM 469 O TYR A 31 6.398 -10.016 -0.425 1.00 0.00 O ATOM 470 CB TYR A 31 7.214 -13.204 -0.781 1.00 0.00 C ATOM 471 CG TYR A 31 6.598 -14.511 -1.225 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.515 -15.593 -0.357 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.100 -14.665 -2.513 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.954 -16.790 -0.759 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.536 -15.858 -2.923 1.00 0.00 C ATOM 476 CZ TYR A 31 5.465 -16.917 -2.042 1.00 0.00 C ATOM 477 OH TYR A 31 4.905 -18.107 -2.447 1.00 0.00 O ATOM 0 H TYR A 31 4.822 -11.665 -1.228 1.00 0.00 H new ATOM 0 HA TYR A 31 6.233 -12.808 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.493 -12.626 -1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.133 -13.413 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.896 -15.497 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.155 -13.838 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.899 -17.622 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.153 -15.961 -3.928 1.00 0.00 H new ATOM 0 HH TYR A 31 4.609 -18.029 -3.378 1.00 0.00 H new ATOM 487 N CYS A 32 7.848 -10.799 1.106 1.00 0.00 N ATOM 488 CA CYS A 32 8.476 -9.503 1.336 1.00 0.00 C ATOM 489 C CYS A 32 8.745 -8.788 0.015 1.00 0.00 C ATOM 490 O CYS A 32 8.873 -9.422 -1.032 1.00 0.00 O ATOM 491 CB CYS A 32 9.784 -9.677 2.110 1.00 0.00 C ATOM 492 SG CYS A 32 10.460 -8.126 2.786 1.00 0.00 S ATOM 0 H CYS A 32 8.237 -11.560 1.662 1.00 0.00 H new ATOM 0 HA CYS A 32 7.791 -8.894 1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.618 -10.376 2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.526 -10.128 1.451 1.00 0.00 H new ATOM 497 N ALA A 33 8.830 -7.463 0.073 1.00 0.00 N ATOM 498 CA ALA A 33 9.086 -6.661 -1.117 1.00 0.00 C ATOM 499 C ALA A 33 10.583 -6.512 -1.367 1.00 0.00 C ATOM 500 O ALA A 33 11.000 -5.849 -2.317 1.00 0.00 O ATOM 501 CB ALA A 33 8.432 -5.294 -0.983 1.00 0.00 C ATOM 0 H ALA A 33 8.725 -6.922 0.932 1.00 0.00 H new ATOM 0 HA ALA A 33 8.651 -7.177 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.631 -4.706 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.356 -5.416 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.840 -4.779 -0.113 1.00 0.00 H new ATOM 507 N ASP A 34 11.386 -7.131 -0.509 1.00 0.00 N ATOM 508 CA ASP A 34 12.837 -7.067 -0.637 1.00 0.00 C ATOM 509 C ASP A 34 13.442 -8.467 -0.661 1.00 0.00 C ATOM 510 O ASP A 34 13.895 -8.942 -1.703 1.00 0.00 O ATOM 511 CB ASP A 34 13.437 -6.258 0.514 1.00 0.00 C ATOM 512 CG ASP A 34 12.810 -4.884 0.645 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.982 -4.063 -0.280 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.145 -4.631 1.671 1.00 0.00 O ATOM 0 H ASP A 34 11.057 -7.683 0.283 1.00 0.00 H new ATOM 0 HA ASP A 34 13.073 -6.572 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.304 -6.805 1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.510 -6.151 0.358 1.00 0.00 H new ATOM 519 N CYS A 35 13.448 -9.124 0.494 1.00 0.00 N ATOM 520 CA CYS A 35 13.999 -10.469 0.607 1.00 0.00 C ATOM 521 C CYS A 35 12.980 -11.513 0.163 1.00 0.00 C ATOM 522 O CYS A 35 13.269 -12.709 0.148 1.00 0.00 O ATOM 523 CB CYS A 35 14.434 -10.745 2.048 1.00 0.00 C ATOM 524 SG CYS A 35 13.051 -10.955 3.215 1.00 0.00 S ATOM 0 H CYS A 35 13.077 -8.746 1.366 1.00 0.00 H new ATOM 0 HA CYS A 35 14.869 -10.535 -0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.049 -11.645 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.063 -9.923 2.390 1.00 0.00 H new ATOM 529 N GLU A 36 11.787 -11.052 -0.198 1.00 0.00 N ATOM 530 CA GLU A 36 10.724 -11.946 -0.642 1.00 0.00 C ATOM 531 C GLU A 36 10.577 -13.130 0.309 1.00 0.00 C ATOM 532 O GLU A 36 10.418 -14.271 -0.123 1.00 0.00 O ATOM 533 CB GLU A 36 11.010 -12.449 -2.059 1.00 0.00 C ATOM 534 CG GLU A 36 10.763 -11.407 -3.136 1.00 0.00 C ATOM 535 CD GLU A 36 9.329 -11.405 -3.630 1.00 0.00 C ATOM 536 OE1 GLU A 36 8.850 -12.473 -4.065 1.00 0.00 O ATOM 537 OE2 GLU A 36 8.687 -10.336 -3.580 1.00 0.00 O ATOM 0 H GLU A 36 11.532 -10.064 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 36 9.789 -11.385 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.047 -12.779 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.387 -13.321 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.010 -10.420 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.432 -11.593 -3.976 1.00 0.00 H new ATOM 544 N ALA A 37 10.631 -12.849 1.607 1.00 0.00 N ATOM 545 CA ALA A 37 10.502 -13.889 2.620 1.00 0.00 C ATOM 546 C ALA A 37 9.082 -14.442 2.662 1.00 0.00 C ATOM 547 O ALA A 37 8.199 -13.970 1.945 1.00 0.00 O ATOM 548 CB ALA A 37 10.900 -13.348 3.985 1.00 0.00 C ATOM 0 H ALA A 37 10.763 -11.910 1.982 1.00 0.00 H new ATOM 0 HA ALA A 37 11.174 -14.705 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.799 -14.135 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.935 -13.008 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.252 -12.512 4.248 1.00 0.00 H new ATOM 554 N LYS A 38 8.867 -15.445 3.505 1.00 0.00 N ATOM 555 CA LYS A 38 7.554 -16.063 3.642 1.00 0.00 C ATOM 556 C LYS A 38 6.784 -15.455 4.810 1.00 0.00 C ATOM 557 O LYS A 38 7.081 -15.731 5.972 1.00 0.00 O ATOM 558 CB LYS A 38 7.696 -17.574 3.843 1.00 0.00 C ATOM 559 CG LYS A 38 6.559 -18.378 3.236 1.00 0.00 C ATOM 560 CD LYS A 38 6.885 -19.862 3.197 1.00 0.00 C ATOM 561 CE LYS A 38 5.638 -20.700 2.956 1.00 0.00 C ATOM 562 NZ LYS A 38 4.855 -20.902 4.206 1.00 0.00 N ATOM 0 H LYS A 38 9.587 -15.848 4.105 1.00 0.00 H new ATOM 0 HA LYS A 38 6.996 -15.875 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.638 -17.904 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.751 -17.786 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.650 -18.219 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.359 -18.022 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.613 -20.055 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.348 -20.159 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.011 -20.212 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.925 -21.669 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.014 -21.478 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.445 -21.391 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.559 -19.979 4.583 1.00 0.00 H new ATOM 576 N GLY A 39 5.794 -14.626 4.493 1.00 0.00 N ATOM 577 CA GLY A 39 4.997 -13.993 5.528 1.00 0.00 C ATOM 578 C GLY A 39 5.296 -12.514 5.666 1.00 0.00 C ATOM 579 O GLY A 39 5.774 -12.049 6.702 1.00 0.00 O ATOM 0 H GLY A 39 5.530 -14.382 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.939 -14.127 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.184 -14.489 6.481 1.00 0.00 H new ATOM 583 N PRO A 40 5.014 -11.747 4.603 1.00 0.00 N ATOM 584 CA PRO A 40 5.249 -10.300 4.585 1.00 0.00 C ATOM 585 C PRO A 40 4.294 -9.547 5.504 1.00 0.00 C ATOM 586 O PRO A 40 4.107 -8.338 5.365 1.00 0.00 O ATOM 587 CB PRO A 40 4.998 -9.918 3.124 1.00 0.00 C ATOM 588 CG PRO A 40 4.075 -10.968 2.611 1.00 0.00 C ATOM 589 CD PRO A 40 4.443 -12.234 3.335 1.00 0.00 C ATOM 0 HA PRO A 40 6.247 -10.044 4.941 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.552 -8.926 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.928 -9.896 2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.036 -10.699 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.183 -11.090 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.573 -12.868 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.164 -12.825 2.770 1.00 0.00 H new ATOM 597 N ARG A 41 3.692 -10.268 6.445 1.00 0.00 N ATOM 598 CA ARG A 41 2.756 -9.667 7.387 1.00 0.00 C ATOM 599 C ARG A 41 3.071 -8.189 7.598 1.00 0.00 C ATOM 600 O ARG A 41 2.389 -7.316 7.062 1.00 0.00 O ATOM 601 CB ARG A 41 2.802 -10.406 8.725 1.00 0.00 C ATOM 602 CG ARG A 41 1.816 -11.559 8.818 1.00 0.00 C ATOM 603 CD ARG A 41 0.407 -11.066 9.105 1.00 0.00 C ATOM 604 NE ARG A 41 -0.580 -12.138 9.002 1.00 0.00 N ATOM 605 CZ ARG A 41 -1.806 -12.059 9.506 1.00 0.00 C ATOM 606 NH1 ARG A 41 -2.195 -10.964 10.145 1.00 0.00 N ATOM 607 NH2 ARG A 41 -2.647 -13.076 9.371 1.00 0.00 N ATOM 0 H ARG A 41 3.836 -11.269 6.575 1.00 0.00 H new ATOM 0 HA ARG A 41 1.753 -9.750 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.810 -10.788 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.598 -9.698 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.823 -12.121 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.130 -12.245 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.371 -10.635 10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.152 -10.270 8.405 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.313 -12.994 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.552 -10.179 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.137 -10.906 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.352 -13.920 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.588 -13.014 9.759 1.00 0.00 H new ATOM 621 N TRP A 42 4.107 -7.917 8.383 1.00 0.00 N ATOM 622 CA TRP A 42 4.512 -6.545 8.666 1.00 0.00 C ATOM 623 C TRP A 42 4.542 -5.712 7.389 1.00 0.00 C ATOM 624 O TRP A 42 4.744 -6.241 6.297 1.00 0.00 O ATOM 625 CB TRP A 42 5.887 -6.524 9.335 1.00 0.00 C ATOM 626 CG TRP A 42 5.923 -7.259 10.641 1.00 0.00 C ATOM 627 CD1 TRP A 42 5.977 -8.612 10.819 1.00 0.00 C ATOM 628 CD2 TRP A 42 5.906 -6.680 11.950 1.00 0.00 C ATOM 629 NE1 TRP A 42 5.994 -8.909 12.160 1.00 0.00 N ATOM 630 CE2 TRP A 42 5.952 -7.742 12.876 1.00 0.00 C ATOM 631 CE3 TRP A 42 5.857 -5.369 12.432 1.00 0.00 C ATOM 632 CZ2 TRP A 42 5.950 -7.530 14.252 1.00 0.00 C ATOM 633 CZ3 TRP A 42 5.855 -5.161 13.798 1.00 0.00 C ATOM 634 CH2 TRP A 42 5.902 -6.236 14.695 1.00 0.00 C ATOM 0 H TRP A 42 4.682 -8.628 8.835 1.00 0.00 H new ATOM 0 HA TRP A 42 3.779 -6.110 9.345 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.619 -6.964 8.658 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.187 -5.489 9.500 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.003 -9.341 10.023 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.032 -9.847 12.558 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.821 -4.533 11.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.985 -8.357 14.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.817 -4.152 14.181 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.900 -6.040 15.757 1.00 0.00 H new ATOM 645 N ALA A 43 4.341 -4.406 7.534 1.00 0.00 N ATOM 646 CA ALA A 43 4.347 -3.501 6.392 1.00 0.00 C ATOM 647 C ALA A 43 4.673 -2.075 6.824 1.00 0.00 C ATOM 648 O ALA A 43 4.323 -1.655 7.927 1.00 0.00 O ATOM 649 CB ALA A 43 3.005 -3.544 5.677 1.00 0.00 C ATOM 0 H ALA A 43 4.172 -3.952 8.431 1.00 0.00 H new ATOM 0 HA ALA A 43 5.124 -3.831 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.024 -2.863 4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.812 -4.558 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.216 -3.242 6.366 1.00 0.00 H new ATOM 655 N SER A 44 5.345 -1.335 5.948 1.00 0.00 N ATOM 656 CA SER A 44 5.722 0.043 6.241 1.00 0.00 C ATOM 657 C SER A 44 4.739 1.022 5.606 1.00 0.00 C ATOM 658 O SER A 44 4.947 1.489 4.487 1.00 0.00 O ATOM 659 CB SER A 44 7.138 0.325 5.735 1.00 0.00 C ATOM 660 OG SER A 44 7.797 1.267 6.563 1.00 0.00 O ATOM 0 H SER A 44 5.640 -1.667 5.029 1.00 0.00 H new ATOM 0 HA SER A 44 5.696 0.179 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.709 -0.603 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.094 0.702 4.713 1.00 0.00 H new ATOM 0 HG SER A 44 8.751 1.289 6.339 1.00 0.00 H new ATOM 666 N TRP A 45 3.668 1.326 6.330 1.00 0.00 N ATOM 667 CA TRP A 45 2.651 2.250 5.839 1.00 0.00 C ATOM 668 C TRP A 45 3.292 3.498 5.243 1.00 0.00 C ATOM 669 O TRP A 45 2.851 4.001 4.211 1.00 0.00 O ATOM 670 CB TRP A 45 1.698 2.640 6.969 1.00 0.00 C ATOM 671 CG TRP A 45 2.345 3.483 8.027 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.205 3.059 9.000 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.183 4.892 8.219 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.586 4.120 9.785 1.00 0.00 N ATOM 675 CE2 TRP A 45 2.974 5.256 9.326 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.448 5.882 7.562 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.048 6.567 9.789 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.522 7.183 8.023 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.317 7.516 9.127 1.00 0.00 C ATOM 0 H TRP A 45 3.481 0.947 7.258 1.00 0.00 H new ATOM 0 HA TRP A 45 2.085 1.746 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.851 3.183 6.549 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.301 1.735 7.428 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.537 2.040 9.133 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.222 4.070 10.581 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.833 5.635 6.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.660 6.826 10.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.957 7.956 7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.354 8.542 9.463 1.00 0.00 H new ATOM 690 N ASN A 46 4.335 3.994 5.901 1.00 0.00 N ATOM 691 CA ASN A 46 5.037 5.185 5.436 1.00 0.00 C ATOM 692 C ASN A 46 5.322 5.099 3.939 1.00 0.00 C ATOM 693 O ASN A 46 5.189 6.085 3.214 1.00 0.00 O ATOM 694 CB ASN A 46 6.346 5.365 6.206 1.00 0.00 C ATOM 695 CG ASN A 46 7.153 6.549 5.708 1.00 0.00 C ATOM 696 OD1 ASN A 46 8.250 6.268 5.016 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 6.792 7.702 5.942 1.00 0.00 N flip ATOM 0 H ASN A 46 4.713 3.590 6.758 1.00 0.00 H new ATOM 0 HA ASN A 46 4.396 6.048 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.126 5.499 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.944 4.458 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.941 7.871 6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.344 8.489 5.599 1.00 0.00 H new ATOM 704 N ILE A 47 5.714 3.913 3.485 1.00 0.00 N ATOM 705 CA ILE A 47 6.016 3.698 2.075 1.00 0.00 C ATOM 706 C ILE A 47 4.824 3.088 1.345 1.00 0.00 C ATOM 707 O ILE A 47 4.427 3.561 0.280 1.00 0.00 O ATOM 708 CB ILE A 47 7.239 2.779 1.895 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.482 3.423 2.513 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.466 2.483 0.421 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.645 2.467 2.664 1.00 0.00 C ATOM 0 H ILE A 47 5.830 3.087 4.072 1.00 0.00 H new ATOM 0 HA ILE A 47 6.240 4.675 1.647 1.00 0.00 H new ATOM 0 HB ILE A 47 7.047 1.837 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.792 4.264 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.224 3.826 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.334 1.833 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.586 1.988 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.641 3.416 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.491 2.991 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.353 1.638 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.930 2.083 1.685 1.00 0.00 H new ATOM 723 N GLY A 48 4.256 2.036 1.926 1.00 0.00 N ATOM 724 CA GLY A 48 3.114 1.379 1.317 1.00 0.00 C ATOM 725 C GLY A 48 3.460 0.012 0.760 1.00 0.00 C ATOM 726 O GLY A 48 3.019 -0.352 -0.330 1.00 0.00 O ATOM 0 H GLY A 48 4.566 1.627 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.321 1.276 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.723 2.006 0.516 1.00 0.00 H new ATOM 730 N VAL A 49 4.254 -0.747 1.508 1.00 0.00 N ATOM 731 CA VAL A 49 4.660 -2.081 1.083 1.00 0.00 C ATOM 732 C VAL A 49 4.687 -3.049 2.260 1.00 0.00 C ATOM 733 O VAL A 49 4.841 -2.639 3.411 1.00 0.00 O ATOM 734 CB VAL A 49 6.049 -2.060 0.418 1.00 0.00 C ATOM 735 CG1 VAL A 49 6.053 -1.124 -0.781 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.115 -1.654 1.425 1.00 0.00 C ATOM 0 H VAL A 49 4.629 -0.460 2.412 1.00 0.00 H new ATOM 0 HA VAL A 49 3.922 -2.419 0.356 1.00 0.00 H new ATOM 0 HB VAL A 49 6.279 -3.065 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.043 -1.122 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.317 -1.464 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.802 -0.115 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.090 -1.644 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.892 -0.659 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.128 -2.367 2.249 1.00 0.00 H new ATOM 746 N PHE A 50 4.535 -4.335 1.965 1.00 0.00 N ATOM 747 CA PHE A 50 4.541 -5.363 2.999 1.00 0.00 C ATOM 748 C PHE A 50 5.909 -6.033 3.093 1.00 0.00 C ATOM 749 O PHE A 50 6.383 -6.637 2.130 1.00 0.00 O ATOM 750 CB PHE A 50 3.466 -6.413 2.712 1.00 0.00 C ATOM 751 CG PHE A 50 2.070 -5.859 2.722 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.347 -5.787 3.902 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.480 -5.410 1.551 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.063 -5.277 3.915 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.195 -4.899 1.558 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.514 -4.834 2.742 1.00 0.00 C ATOM 0 H PHE A 50 4.406 -4.691 1.018 1.00 0.00 H new ATOM 0 HA PHE A 50 4.324 -4.883 3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.662 -6.866 1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.538 -7.208 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.793 -6.134 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.030 -5.460 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.489 -5.225 4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.254 -4.551 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.518 -4.437 2.750 1.00 0.00 H new ATOM 766 N ILE A 51 6.538 -5.921 4.258 1.00 0.00 N ATOM 767 CA ILE A 51 7.851 -6.515 4.477 1.00 0.00 C ATOM 768 C ILE A 51 7.818 -7.509 5.634 1.00 0.00 C ATOM 769 O ILE A 51 6.860 -7.547 6.407 1.00 0.00 O ATOM 770 CB ILE A 51 8.914 -5.440 4.769 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.434 -4.506 5.882 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.230 -4.651 3.507 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.509 -3.573 6.393 1.00 0.00 C ATOM 0 H ILE A 51 6.160 -5.424 5.065 1.00 0.00 H new ATOM 0 HA ILE A 51 8.118 -7.038 3.559 1.00 0.00 H new ATOM 0 HB ILE A 51 9.827 -5.934 5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.596 -3.914 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.060 -5.105 6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.983 -3.895 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.610 -5.327 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.324 -4.165 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.098 -2.941 7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.338 -4.157 6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.867 -2.948 5.575 1.00 0.00 H new ATOM 785 N CYS A 52 8.871 -8.311 5.747 1.00 0.00 N ATOM 786 CA CYS A 52 8.965 -9.305 6.810 1.00 0.00 C ATOM 787 C CYS A 52 9.431 -8.664 8.114 1.00 0.00 C ATOM 788 O CYS A 52 9.599 -7.447 8.194 1.00 0.00 O ATOM 789 CB CYS A 52 9.927 -10.424 6.406 1.00 0.00 C ATOM 790 SG CYS A 52 11.652 -9.880 6.190 1.00 0.00 S ATOM 0 H CYS A 52 9.672 -8.292 5.115 1.00 0.00 H new ATOM 0 HA CYS A 52 7.973 -9.727 6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.896 -11.206 7.164 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.578 -10.869 5.474 1.00 0.00 H new ATOM 795 N ILE A 53 9.638 -9.492 9.132 1.00 0.00 N ATOM 796 CA ILE A 53 10.086 -9.007 10.432 1.00 0.00 C ATOM 797 C ILE A 53 11.556 -8.600 10.390 1.00 0.00 C ATOM 798 O ILE A 53 11.942 -7.574 10.950 1.00 0.00 O ATOM 799 CB ILE A 53 9.891 -10.071 11.528 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.333 -9.522 12.886 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.664 -11.335 11.184 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.254 -8.741 13.603 1.00 0.00 C ATOM 0 H ILE A 53 9.503 -10.502 9.082 1.00 0.00 H new ATOM 0 HA ILE A 53 9.476 -8.136 10.671 1.00 0.00 H new ATOM 0 HB ILE A 53 8.832 -10.322 11.586 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.651 -10.351 13.518 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.202 -8.879 12.744 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.516 -12.077 11.969 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.306 -11.734 10.235 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.725 -11.101 11.102 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.638 -8.382 14.558 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.952 -7.891 12.991 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.393 -9.386 13.777 1.00 0.00 H new ATOM 814 N ARG A 54 12.369 -9.411 9.722 1.00 0.00 N ATOM 815 CA ARG A 54 13.796 -9.136 9.606 1.00 0.00 C ATOM 816 C ARG A 54 14.036 -7.746 9.023 1.00 0.00 C ATOM 817 O ARG A 54 14.556 -6.858 9.700 1.00 0.00 O ATOM 818 CB ARG A 54 14.472 -10.192 8.729 1.00 0.00 C ATOM 819 CG ARG A 54 15.980 -10.029 8.633 1.00 0.00 C ATOM 820 CD ARG A 54 16.371 -9.143 7.461 1.00 0.00 C ATOM 821 NE ARG A 54 16.149 -9.804 6.177 1.00 0.00 N ATOM 822 CZ ARG A 54 17.031 -10.619 5.608 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.186 -10.873 6.206 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.756 -11.182 4.439 1.00 0.00 N ATOM 0 H ARG A 54 12.064 -10.264 9.253 1.00 0.00 H new ATOM 0 HA ARG A 54 14.230 -9.172 10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.247 -11.181 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.046 -10.147 7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.360 -9.598 9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.447 -11.008 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.795 -8.219 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.422 -8.867 7.550 1.00 0.00 H new ATOM 0 HE ARG A 54 15.269 -9.630 5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.400 -10.443 7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.861 -11.499 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.867 -10.989 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.433 -11.808 4.002 1.00 0.00 H new ATOM 838 N CYS A 55 13.655 -7.565 7.763 1.00 0.00 N ATOM 839 CA CYS A 55 13.830 -6.284 7.088 1.00 0.00 C ATOM 840 C CYS A 55 13.234 -5.148 7.914 1.00 0.00 C ATOM 841 O CYS A 55 13.871 -4.115 8.117 1.00 0.00 O ATOM 842 CB CYS A 55 13.176 -6.320 5.705 1.00 0.00 C ATOM 843 SG CYS A 55 13.972 -7.468 4.536 1.00 0.00 S ATOM 0 H CYS A 55 13.223 -8.289 7.189 1.00 0.00 H new ATOM 0 HA CYS A 55 14.899 -6.105 6.974 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.129 -6.601 5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.193 -5.316 5.281 1.00 0.00 H new ATOM 848 N ALA A 56 12.009 -5.348 8.389 1.00 0.00 N ATOM 849 CA ALA A 56 11.329 -4.342 9.195 1.00 0.00 C ATOM 850 C ALA A 56 12.297 -3.665 10.159 1.00 0.00 C ATOM 851 O ALA A 56 12.301 -2.442 10.293 1.00 0.00 O ATOM 852 CB ALA A 56 10.173 -4.971 9.959 1.00 0.00 C ATOM 0 H ALA A 56 11.467 -6.198 8.229 1.00 0.00 H new ATOM 0 HA ALA A 56 10.934 -3.580 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.674 -4.208 10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.462 -5.402 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.554 -5.754 10.615 1.00 0.00 H new ATOM 858 N GLY A 57 13.115 -4.469 10.831 1.00 0.00 N ATOM 859 CA GLY A 57 14.076 -3.929 11.776 1.00 0.00 C ATOM 860 C GLY A 57 14.994 -2.901 11.145 1.00 0.00 C ATOM 861 O GLY A 57 15.344 -1.902 11.775 1.00 0.00 O ATOM 0 H GLY A 57 13.130 -5.485 10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.543 -3.473 12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.674 -4.743 12.186 1.00 0.00 H new ATOM 865 N ILE A 58 15.387 -3.146 9.899 1.00 0.00 N ATOM 866 CA ILE A 58 16.270 -2.234 9.184 1.00 0.00 C ATOM 867 C ILE A 58 15.574 -0.909 8.892 1.00 0.00 C ATOM 868 O ILE A 58 16.173 0.160 9.013 1.00 0.00 O ATOM 869 CB ILE A 58 16.759 -2.848 7.859 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.334 -4.245 8.100 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.799 -1.946 7.209 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.153 -5.183 6.927 1.00 0.00 C ATOM 0 H ILE A 58 15.107 -3.969 9.364 1.00 0.00 H new ATOM 0 HA ILE A 58 17.129 -2.054 9.831 1.00 0.00 H new ATOM 0 HB ILE A 58 15.909 -2.937 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.397 -4.158 8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 58 16.857 -4.679 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.135 -2.393 6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.358 -0.970 7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.649 -1.828 7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.584 -6.155 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.090 -5.300 6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.654 -4.771 6.051 1.00 0.00 H new ATOM 884 N HIS A 59 14.304 -0.987 8.508 1.00 0.00 N ATOM 885 CA HIS A 59 13.524 0.207 8.201 1.00 0.00 C ATOM 886 C HIS A 59 13.521 1.173 9.381 1.00 0.00 C ATOM 887 O HIS A 59 13.735 2.374 9.214 1.00 0.00 O ATOM 888 CB HIS A 59 12.089 -0.176 7.837 1.00 0.00 C ATOM 889 CG HIS A 59 11.909 -0.518 6.390 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.243 0.299 5.500 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.313 -1.597 5.679 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.245 -0.263 4.305 1.00 0.00 C ATOM 893 NE2 HIS A 59 11.888 -1.414 4.386 1.00 0.00 N ATOM 0 H HIS A 59 13.793 -1.864 8.402 1.00 0.00 H new ATOM 0 HA HIS A 59 13.987 0.704 7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.784 -1.029 8.444 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.425 0.650 8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.866 -2.444 6.058 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.797 0.149 3.413 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.044 -2.062 3.614 1.00 0.00 H new ATOM 901 N ARG A 60 13.277 0.641 10.575 1.00 0.00 N ATOM 902 CA ARG A 60 13.245 1.457 11.783 1.00 0.00 C ATOM 903 C ARG A 60 14.523 2.280 11.917 1.00 0.00 C ATOM 904 O ARG A 60 14.476 3.473 12.216 1.00 0.00 O ATOM 905 CB ARG A 60 13.065 0.571 13.017 1.00 0.00 C ATOM 906 CG ARG A 60 12.096 -0.581 12.804 1.00 0.00 C ATOM 907 CD ARG A 60 11.725 -1.247 14.119 1.00 0.00 C ATOM 908 NE ARG A 60 12.749 -2.189 14.564 1.00 0.00 N ATOM 909 CZ ARG A 60 12.508 -3.203 15.387 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.283 -3.406 15.852 1.00 0.00 N ATOM 911 NH2 ARG A 60 13.492 -4.017 15.745 1.00 0.00 N ATOM 0 H ARG A 60 13.099 -0.351 10.731 1.00 0.00 H new ATOM 0 HA ARG A 60 12.399 2.140 11.708 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.035 0.169 13.310 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.711 1.184 13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.194 -0.214 12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.545 -1.316 12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.578 -0.484 14.883 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.776 -1.771 14.005 1.00 0.00 H new ATOM 0 HE ARG A 60 13.702 -2.061 14.224 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.524 -2.783 15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.100 -4.185 16.484 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.435 -3.865 15.388 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.305 -4.795 16.377 1.00 0.00 H new ATOM 925 N ASN A 61 15.663 1.635 11.693 1.00 0.00 N ATOM 926 CA ASN A 61 16.953 2.307 11.790 1.00 0.00 C ATOM 927 C ASN A 61 16.969 3.579 10.948 1.00 0.00 C ATOM 928 O ASN A 61 17.330 4.653 11.431 1.00 0.00 O ATOM 929 CB ASN A 61 18.076 1.370 11.340 1.00 0.00 C ATOM 930 CG ASN A 61 18.277 0.209 12.294 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.874 0.269 13.456 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.905 -0.855 11.807 1.00 0.00 N ATOM 0 H ASN A 61 15.720 0.648 11.443 1.00 0.00 H new ATOM 0 HA ASN A 61 17.114 2.581 12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.848 0.985 10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.005 1.934 11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.071 -1.666 12.403 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.222 -0.861 10.837 1.00 0.00 H new ATOM 939 N LEU A 62 16.574 3.451 9.686 1.00 0.00 N ATOM 940 CA LEU A 62 16.542 4.590 8.775 1.00 0.00 C ATOM 941 C LEU A 62 16.107 5.857 9.503 1.00 0.00 C ATOM 942 O LEU A 62 16.794 6.877 9.460 1.00 0.00 O ATOM 943 CB LEU A 62 15.594 4.307 7.608 1.00 0.00 C ATOM 944 CG LEU A 62 15.765 2.954 6.916 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.915 2.887 5.657 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.230 2.705 6.587 1.00 0.00 C ATOM 0 H LEU A 62 16.271 2.570 9.270 1.00 0.00 H new ATOM 0 HA LEU A 62 17.549 4.744 8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.569 4.379 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.723 5.092 6.863 1.00 0.00 H new ATOM 0 HG LEU A 62 15.429 2.173 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.050 1.917 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.865 3.020 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.220 3.676 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.333 1.738 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.592 3.490 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.815 2.708 7.507 1.00 0.00 H new ATOM 958 N GLY A 63 14.960 5.785 10.173 1.00 0.00 N ATOM 959 CA GLY A 63 14.454 6.932 10.903 1.00 0.00 C ATOM 960 C GLY A 63 12.985 7.191 10.631 1.00 0.00 C ATOM 961 O GLY A 63 12.551 7.197 9.480 1.00 0.00 O ATOM 0 H GLY A 63 14.373 4.952 10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.600 6.772 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.032 7.815 10.631 1.00 0.00 H new ATOM 965 N VAL A 64 12.217 7.403 11.695 1.00 0.00 N ATOM 966 CA VAL A 64 10.788 7.662 11.566 1.00 0.00 C ATOM 967 C VAL A 64 10.501 8.588 10.390 1.00 0.00 C ATOM 968 O VAL A 64 9.475 8.460 9.721 1.00 0.00 O ATOM 969 CB VAL A 64 10.213 8.288 12.851 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.399 7.349 14.033 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.863 9.636 13.123 1.00 0.00 C ATOM 0 H VAL A 64 12.560 7.400 12.655 1.00 0.00 H new ATOM 0 HA VAL A 64 10.306 6.700 11.392 1.00 0.00 H new ATOM 0 HB VAL A 64 9.144 8.447 12.710 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.987 7.809 14.931 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.882 6.410 13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.461 7.155 14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.445 10.064 14.034 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.938 9.504 13.244 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.672 10.308 12.286 1.00 0.00 H new ATOM 981 N HIS A 65 11.415 9.521 10.142 1.00 0.00 N ATOM 982 CA HIS A 65 11.261 10.470 9.045 1.00 0.00 C ATOM 983 C HIS A 65 11.341 9.759 7.697 1.00 0.00 C ATOM 984 O HIS A 65 10.590 10.072 6.774 1.00 0.00 O ATOM 985 CB HIS A 65 12.334 11.556 9.127 1.00 0.00 C ATOM 986 CG HIS A 65 13.725 11.041 8.914 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.353 10.185 9.794 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.608 11.264 7.913 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.563 9.905 9.344 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.743 10.548 8.204 1.00 0.00 N ATOM 0 H HIS A 65 12.270 9.640 10.686 1.00 0.00 H new ATOM 0 HA HIS A 65 10.279 10.934 9.134 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.121 12.323 8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.279 12.037 10.104 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.449 11.889 7.046 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.283 9.260 9.826 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.588 10.518 7.633 1.00 0.00 H new ATOM 998 N ILE A 66 12.257 8.802 7.592 1.00 0.00 N ATOM 999 CA ILE A 66 12.435 8.047 6.358 1.00 0.00 C ATOM 1000 C ILE A 66 11.380 6.955 6.225 1.00 0.00 C ATOM 1001 O ILE A 66 10.653 6.898 5.233 1.00 0.00 O ATOM 1002 CB ILE A 66 13.833 7.406 6.287 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.896 8.475 6.021 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.870 6.335 5.207 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.266 8.108 6.546 1.00 0.00 C ATOM 0 H ILE A 66 12.887 8.531 8.347 1.00 0.00 H new ATOM 0 HA ILE A 66 12.327 8.755 5.536 1.00 0.00 H new ATOM 0 HB ILE A 66 14.050 6.936 7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.962 8.651 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.580 9.412 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.865 5.891 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.136 5.562 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.636 6.784 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.968 8.911 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.215 7.961 7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.604 7.187 6.070 1.00 0.00 H new ATOM 1017 N SER A 67 11.300 6.090 7.231 1.00 0.00 N ATOM 1018 CA SER A 67 10.335 4.998 7.226 1.00 0.00 C ATOM 1019 C SER A 67 9.800 4.739 8.631 1.00 0.00 C ATOM 1020 O SER A 67 10.466 5.032 9.624 1.00 0.00 O ATOM 1021 CB SER A 67 10.976 3.725 6.669 1.00 0.00 C ATOM 1022 OG SER A 67 10.410 2.568 7.261 1.00 0.00 O ATOM 0 H SER A 67 11.893 6.125 8.060 1.00 0.00 H new ATOM 0 HA SER A 67 9.501 5.286 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.839 3.688 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.050 3.744 6.854 1.00 0.00 H new ATOM 0 HG SER A 67 10.604 1.786 6.703 1.00 0.00 H new ATOM 1028 N ARG A 68 8.593 4.187 8.706 1.00 0.00 N ATOM 1029 CA ARG A 68 7.968 3.888 9.988 1.00 0.00 C ATOM 1030 C ARG A 68 7.383 2.479 9.993 1.00 0.00 C ATOM 1031 O ARG A 68 6.278 2.252 9.498 1.00 0.00 O ATOM 1032 CB ARG A 68 6.870 4.909 10.294 1.00 0.00 C ATOM 1033 CG ARG A 68 7.400 6.300 10.603 1.00 0.00 C ATOM 1034 CD ARG A 68 6.497 7.036 11.580 1.00 0.00 C ATOM 1035 NE ARG A 68 6.543 8.482 11.385 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.580 9.308 11.780 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.503 8.832 12.389 1.00 0.00 N ATOM 1038 NH2 ARG A 68 5.694 10.612 11.566 1.00 0.00 N ATOM 0 H ARG A 68 8.029 3.938 7.894 1.00 0.00 H new ATOM 0 HA ARG A 68 8.735 3.946 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.193 4.968 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.284 4.556 11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.404 6.224 11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.482 6.873 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.472 6.686 11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.797 6.798 12.601 1.00 0.00 H new ATOM 0 HE ARG A 68 7.359 8.880 10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.412 7.830 12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.765 9.468 12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.521 10.982 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.954 11.245 11.870 1.00 0.00 H new ATOM 1052 N VAL A 69 8.131 1.535 10.556 1.00 0.00 N ATOM 1053 CA VAL A 69 7.686 0.148 10.626 1.00 0.00 C ATOM 1054 C VAL A 69 6.606 -0.030 11.686 1.00 0.00 C ATOM 1055 O VAL A 69 6.685 0.545 12.772 1.00 0.00 O ATOM 1056 CB VAL A 69 8.858 -0.801 10.938 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.376 -2.243 10.998 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.963 -0.642 9.904 1.00 0.00 C ATOM 0 H VAL A 69 9.047 1.705 10.970 1.00 0.00 H new ATOM 0 HA VAL A 69 7.275 -0.103 9.648 1.00 0.00 H new ATOM 0 HB VAL A 69 9.265 -0.538 11.914 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.218 -2.899 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.623 -2.343 11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.942 -2.522 10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.783 -1.320 10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.572 -0.877 8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.327 0.385 9.916 1.00 0.00 H new ATOM 1068 N LYS A 70 5.595 -0.830 11.364 1.00 0.00 N ATOM 1069 CA LYS A 70 4.497 -1.087 12.289 1.00 0.00 C ATOM 1070 C LYS A 70 3.687 -2.301 11.847 1.00 0.00 C ATOM 1071 O LYS A 70 3.347 -2.439 10.672 1.00 0.00 O ATOM 1072 CB LYS A 70 3.587 0.140 12.385 1.00 0.00 C ATOM 1073 CG LYS A 70 2.654 0.299 11.197 1.00 0.00 C ATOM 1074 CD LYS A 70 1.906 1.621 11.249 1.00 0.00 C ATOM 1075 CE LYS A 70 0.890 1.643 12.380 1.00 0.00 C ATOM 1076 NZ LYS A 70 -0.300 0.802 12.072 1.00 0.00 N ATOM 0 H LYS A 70 5.513 -1.312 10.469 1.00 0.00 H new ATOM 0 HA LYS A 70 4.922 -1.294 13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.993 0.071 13.296 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.204 1.034 12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.228 0.241 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.940 -0.524 11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.616 2.437 11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.398 1.791 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.359 1.287 13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.572 2.669 12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.605 0.303 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.074 1.407 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.054 0.107 11.338 1.00 0.00 H new ATOM 1090 N SER A 71 3.379 -3.179 12.797 1.00 0.00 N ATOM 1091 CA SER A 71 2.610 -4.383 12.505 1.00 0.00 C ATOM 1092 C SER A 71 1.329 -4.040 11.750 1.00 0.00 C ATOM 1093 O SER A 71 0.919 -2.880 11.695 1.00 0.00 O ATOM 1094 CB SER A 71 2.269 -5.122 13.800 1.00 0.00 C ATOM 1095 OG SER A 71 2.178 -6.519 13.581 1.00 0.00 O ATOM 0 H SER A 71 3.650 -3.079 13.775 1.00 0.00 H new ATOM 0 HA SER A 71 3.220 -5.030 11.875 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.032 -4.917 14.551 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.324 -4.751 14.196 1.00 0.00 H new ATOM 0 HG SER A 71 1.236 -6.777 13.503 1.00 0.00 H new ATOM 1101 N VAL A 72 0.701 -5.057 11.169 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.533 -4.865 10.418 1.00 0.00 C ATOM 1103 C VAL A 72 -1.754 -5.016 11.319 1.00 0.00 C ATOM 1104 O VAL A 72 -2.716 -4.258 11.209 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.642 -5.867 9.252 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.641 -5.374 8.217 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.722 -6.099 8.621 1.00 0.00 C ATOM 0 H VAL A 72 1.027 -6.023 11.204 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.505 -3.852 10.016 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.002 -6.818 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.705 -6.094 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.621 -5.264 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.314 -4.411 7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.627 -6.809 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.113 -5.155 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.406 -6.500 9.369 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.707 -6.001 12.210 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.809 -6.251 13.131 1.00 0.00 C ATOM 1119 C ASN A 73 -2.465 -5.767 14.537 1.00 0.00 C ATOM 1120 O ASN A 73 -3.209 -4.991 15.138 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.146 -7.743 13.162 1.00 0.00 C ATOM 1122 CG ASN A 73 -2.443 -8.472 14.291 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -1.245 -8.747 14.216 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -3.186 -8.787 15.345 1.00 0.00 N ATOM 0 H ASN A 73 -0.918 -6.639 12.314 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.678 -5.696 12.778 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.224 -7.867 13.269 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.866 -8.196 12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.768 -9.277 16.136 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.175 -8.539 15.364 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.332 -6.229 15.055 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.888 -5.843 16.389 1.00 0.00 C ATOM 1133 C LEU A 74 -0.948 -4.329 16.566 1.00 0.00 C ATOM 1134 O LEU A 74 -1.226 -3.832 17.658 1.00 0.00 O ATOM 1135 CB LEU A 74 0.537 -6.341 16.638 1.00 0.00 C ATOM 1136 CG LEU A 74 0.799 -7.813 16.316 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.267 -8.150 16.521 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.081 -8.711 17.173 1.00 0.00 C ATOM 0 H LEU A 74 -0.705 -6.871 14.571 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.559 -6.302 17.115 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.222 -5.733 16.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.783 -6.170 17.686 1.00 0.00 H new ATOM 0 HG LEU A 74 0.550 -7.987 15.269 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.435 -9.201 16.287 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.878 -7.530 15.865 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.542 -7.960 17.558 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.119 -9.755 16.930 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.136 -8.535 18.227 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.130 -8.487 16.977 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.686 -3.601 15.486 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.713 -2.144 15.521 1.00 0.00 C ATOM 1152 C ASP A 75 -2.074 -1.615 15.077 1.00 0.00 C ATOM 1153 O ASP A 75 -2.807 -2.290 14.355 1.00 0.00 O ATOM 1154 CB ASP A 75 0.387 -1.570 14.626 1.00 0.00 C ATOM 1155 CG ASP A 75 0.889 -0.227 15.115 1.00 0.00 C ATOM 1156 OD1 ASP A 75 0.114 0.751 15.065 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.059 -0.152 15.548 1.00 0.00 O ATOM 0 H ASP A 75 -0.452 -3.997 14.575 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.537 -1.827 16.549 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.220 -2.272 14.583 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.006 -1.464 13.610 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.404 -0.405 15.516 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.678 0.213 15.166 1.00 0.00 C ATOM 1164 C GLN A 76 -3.553 1.027 13.882 1.00 0.00 C ATOM 1165 O GLN A 76 -2.642 1.843 13.740 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.165 1.109 16.306 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.579 1.630 16.108 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.174 2.202 17.380 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -6.653 1.464 18.241 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -6.146 3.524 17.505 1.00 0.00 N ATOM 0 H GLN A 76 -1.808 0.167 16.114 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.406 -0.582 15.002 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.120 0.550 17.241 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.486 1.955 16.408 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.574 2.399 15.336 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.213 0.820 15.747 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.739 4.098 16.766 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.531 3.966 18.340 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.473 0.800 12.952 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.465 1.512 11.679 1.00 0.00 C ATOM 1181 C TRP A 77 -5.725 2.356 11.520 1.00 0.00 C ATOM 1182 O TRP A 77 -6.679 2.216 12.286 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.348 0.523 10.518 1.00 0.00 C ATOM 1184 CG TRP A 77 -3.024 -0.176 10.465 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.435 -0.894 11.467 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.123 -0.223 9.353 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.223 -1.384 11.044 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -1.009 -0.987 9.751 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -2.151 0.304 8.059 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.066 -1.234 8.901 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -1.083 0.059 7.217 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.013 -0.705 7.640 1.00 0.00 C ATOM 0 H TRP A 77 -5.234 0.129 13.055 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.601 2.177 11.668 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.140 -0.221 10.602 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.508 1.054 9.580 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.860 -1.053 12.447 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.586 -1.952 11.603 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.992 0.892 7.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.912 -1.822 9.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -1.093 0.463 6.216 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.832 -0.880 6.958 1.00 0.00 H new ATOM 1203 N THR A 78 -5.723 3.233 10.521 1.00 0.00 N ATOM 1204 CA THR A 78 -6.865 4.099 10.262 1.00 0.00 C ATOM 1205 C THR A 78 -7.221 4.113 8.779 1.00 0.00 C ATOM 1206 O THR A 78 -6.340 4.166 7.921 1.00 0.00 O ATOM 1207 CB THR A 78 -6.592 5.542 10.726 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.554 6.125 9.929 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.190 5.572 12.192 1.00 0.00 C ATOM 0 H THR A 78 -4.942 3.362 9.878 1.00 0.00 H new ATOM 0 HA THR A 78 -7.703 3.694 10.830 1.00 0.00 H new ATOM 0 HB THR A 78 -7.509 6.119 10.606 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.388 7.043 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.002 6.602 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.994 5.155 12.798 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.285 4.981 12.333 1.00 0.00 H new ATOM 1217 N ALA A 79 -8.516 4.065 8.486 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.987 4.075 7.106 1.00 0.00 C ATOM 1219 C ALA A 79 -8.118 4.975 6.235 1.00 0.00 C ATOM 1220 O ALA A 79 -7.752 4.607 5.119 1.00 0.00 O ATOM 1221 CB ALA A 79 -10.440 4.524 7.048 1.00 0.00 C ATOM 0 H ALA A 79 -9.258 4.019 9.185 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.916 3.059 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.779 4.527 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.056 3.838 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.527 5.529 7.461 1.00 0.00 H new ATOM 1227 N GLU A 80 -7.792 6.155 6.753 1.00 0.00 N ATOM 1228 CA GLU A 80 -6.967 7.108 6.020 1.00 0.00 C ATOM 1229 C GLU A 80 -5.664 6.459 5.560 1.00 0.00 C ATOM 1230 O GLU A 80 -5.339 6.471 4.373 1.00 0.00 O ATOM 1231 CB GLU A 80 -6.661 8.328 6.891 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.729 9.330 6.231 1.00 0.00 C ATOM 1233 CD GLU A 80 -5.110 10.294 7.224 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.824 11.209 7.687 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.913 10.134 7.539 1.00 0.00 O ATOM 0 H GLU A 80 -8.086 6.474 7.676 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.524 7.429 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.597 8.827 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.215 7.993 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.937 8.794 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.281 9.894 5.479 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.924 5.895 6.508 1.00 0.00 N ATOM 1243 CA GLN A 81 -3.657 5.242 6.201 1.00 0.00 C ATOM 1244 C GLN A 81 -3.871 4.043 5.283 1.00 0.00 C ATOM 1245 O GLN A 81 -3.057 3.774 4.399 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.963 4.795 7.489 1.00 0.00 C ATOM 1247 CG GLN A 81 -2.854 5.894 8.534 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.574 6.697 8.405 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -1.132 7.008 7.299 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.972 7.037 9.539 1.00 0.00 N ATOM 0 H GLN A 81 -5.180 5.877 7.495 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.022 5.963 5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.511 3.954 7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.963 4.435 7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.709 6.563 8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.902 5.451 9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.374 6.758 10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.107 7.578 9.515 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.969 3.328 5.499 1.00 0.00 N ATOM 1260 CA ILE A 82 -5.290 2.158 4.690 1.00 0.00 C ATOM 1261 C ILE A 82 -5.197 2.477 3.201 1.00 0.00 C ATOM 1262 O ILE A 82 -4.456 1.828 2.463 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.701 1.627 5.002 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.776 1.134 6.449 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.073 0.511 4.037 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.729 0.097 6.789 1.00 0.00 C ATOM 0 H ILE A 82 -5.652 3.538 6.227 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.558 1.390 4.942 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.415 2.441 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.664 1.985 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.765 0.713 6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.073 0.146 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.055 0.892 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.358 -0.306 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.842 -0.206 7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.854 -0.771 6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.736 0.521 6.640 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.952 3.481 2.769 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.953 3.887 1.368 1.00 0.00 C ATOM 1280 C GLN A 83 -4.542 3.858 0.791 1.00 0.00 C ATOM 1281 O GLN A 83 -4.310 3.295 -0.279 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.548 5.289 1.222 1.00 0.00 C ATOM 1283 CG GLN A 83 -7.202 5.535 -0.128 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.245 4.489 -0.470 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -7.986 3.566 -1.242 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -9.434 4.629 0.104 1.00 0.00 N ATOM 0 H GLN A 83 -6.570 4.028 3.368 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.567 3.179 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.287 5.445 2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.760 6.027 1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.668 6.521 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.435 5.545 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.606 5.409 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.176 3.956 -0.089 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.603 4.467 1.507 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.213 4.512 1.066 1.00 0.00 C ATOM 1297 C CYS A 84 -1.722 3.122 0.675 1.00 0.00 C ATOM 1298 O CYS A 84 -1.299 2.898 -0.458 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.325 5.089 2.168 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.671 6.819 2.565 1.00 0.00 S ATOM 0 H CYS A 84 -3.779 4.936 2.395 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.156 5.157 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.447 4.489 3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.282 4.999 1.864 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.871 7.216 3.509 1.00 0.00 H new ATOM 1306 N MET A 85 -1.779 2.192 1.623 1.00 0.00 N ATOM 1307 CA MET A 85 -1.339 0.823 1.378 1.00 0.00 C ATOM 1308 C MET A 85 -1.640 0.404 -0.058 1.00 0.00 C ATOM 1309 O MET A 85 -0.734 0.057 -0.814 1.00 0.00 O ATOM 1310 CB MET A 85 -2.020 -0.137 2.355 1.00 0.00 C ATOM 1311 CG MET A 85 -1.445 -0.083 3.761 1.00 0.00 C ATOM 1312 SD MET A 85 0.338 -0.349 3.792 1.00 0.00 S ATOM 1313 CE MET A 85 0.450 -1.980 3.061 1.00 0.00 C ATOM 0 H MET A 85 -2.125 2.361 2.567 1.00 0.00 H new ATOM 0 HA MET A 85 -0.261 0.782 1.532 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.084 0.095 2.397 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.931 -1.154 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.672 0.886 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.932 -0.838 4.378 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.084 -2.614 3.681 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.546 -2.418 2.993 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.881 -1.903 2.063 1.00 0.00 H new ATOM 1323 N GLN A 86 -2.917 0.440 -0.425 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.335 0.063 -1.769 1.00 0.00 C ATOM 1325 C GLN A 86 -2.734 1.002 -2.810 1.00 0.00 C ATOM 1326 O GLN A 86 -2.176 0.557 -3.813 1.00 0.00 O ATOM 1327 CB GLN A 86 -4.861 0.076 -1.874 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.549 -0.810 -0.848 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.682 -0.142 0.506 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.846 1.075 0.597 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.611 -0.936 1.568 1.00 0.00 N ATOM 0 H GLN A 86 -3.679 0.726 0.189 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.973 -0.946 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.216 1.099 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.151 -0.247 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.539 -1.081 -1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.985 -1.736 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.474 -1.939 1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.693 -0.542 2.505 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.853 2.302 -2.565 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.320 3.304 -3.481 1.00 0.00 C ATOM 1342 C ASP A 87 -0.933 2.907 -3.974 1.00 0.00 C ATOM 1343 O ASP A 87 -0.683 2.855 -5.178 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.260 4.671 -2.796 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.571 5.425 -2.893 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -3.992 5.741 -4.025 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.176 5.700 -1.835 1.00 0.00 O ATOM 0 H ASP A 87 -3.314 2.687 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.987 3.366 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.998 4.537 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.467 5.267 -3.249 1.00 0.00 H new ATOM 1352 N MET A 88 -0.034 2.629 -3.036 1.00 0.00 N ATOM 1353 CA MET A 88 1.329 2.236 -3.376 1.00 0.00 C ATOM 1354 C MET A 88 1.419 0.731 -3.607 1.00 0.00 C ATOM 1355 O MET A 88 1.537 0.274 -4.743 1.00 0.00 O ATOM 1356 CB MET A 88 2.295 2.652 -2.265 1.00 0.00 C ATOM 1357 CG MET A 88 3.752 2.362 -2.586 1.00 0.00 C ATOM 1358 SD MET A 88 4.531 3.684 -3.532 1.00 0.00 S ATOM 1359 CE MET A 88 5.712 2.754 -4.506 1.00 0.00 C ATOM 0 H MET A 88 -0.224 2.668 -2.035 1.00 0.00 H new ATOM 0 HA MET A 88 1.608 2.745 -4.299 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.179 3.719 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.024 2.133 -1.346 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.302 2.213 -1.657 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.818 1.431 -3.148 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.444 3.436 -4.938 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.221 2.032 -3.868 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.190 2.228 -5.305 1.00 0.00 H new ATOM 1369 N GLY A 89 1.364 -0.035 -2.522 1.00 0.00 N ATOM 1370 CA GLY A 89 1.442 -1.480 -2.628 1.00 0.00 C ATOM 1371 C GLY A 89 2.764 -1.949 -3.201 1.00 0.00 C ATOM 1372 O GLY A 89 3.535 -1.152 -3.734 1.00 0.00 O ATOM 0 H GLY A 89 1.267 0.320 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.300 -1.922 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.629 -1.839 -3.258 1.00 0.00 H new ATOM 1376 N ASN A 90 3.029 -3.247 -3.088 1.00 0.00 N ATOM 1377 CA ASN A 90 4.270 -3.820 -3.597 1.00 0.00 C ATOM 1378 C ASN A 90 4.372 -3.642 -5.109 1.00 0.00 C ATOM 1379 O ASN A 90 5.423 -3.270 -5.632 1.00 0.00 O ATOM 1380 CB ASN A 90 4.353 -5.306 -3.241 1.00 0.00 C ATOM 1381 CG ASN A 90 4.238 -5.550 -1.749 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.402 -4.950 -1.073 1.00 0.00 O ATOM 1383 ND2 ASN A 90 5.080 -6.435 -1.227 1.00 0.00 N ATOM 0 H ASN A 90 2.402 -3.921 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 90 5.102 -3.294 -3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.559 -5.845 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.299 -5.711 -3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.050 -6.640 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.757 -6.909 -1.825 1.00 0.00 H new ATOM 1390 N THR A 91 3.272 -3.909 -5.807 1.00 0.00 N ATOM 1391 CA THR A 91 3.237 -3.779 -7.258 1.00 0.00 C ATOM 1392 C THR A 91 4.052 -2.577 -7.722 1.00 0.00 C ATOM 1393 O THR A 91 5.076 -2.728 -8.389 1.00 0.00 O ATOM 1394 CB THR A 91 1.793 -3.635 -7.774 1.00 0.00 C ATOM 1395 OG1 THR A 91 1.001 -4.742 -7.328 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.766 -3.565 -9.294 1.00 0.00 C ATOM 0 H THR A 91 2.393 -4.217 -5.390 1.00 0.00 H new ATOM 0 HA THR A 91 3.673 -4.690 -7.668 1.00 0.00 H new ATOM 0 HB THR A 91 1.379 -2.709 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.084 -4.642 -7.659 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.736 -3.463 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.346 -2.705 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.197 -4.477 -9.708 1.00 0.00 H new ATOM 1404 N LYS A 92 3.593 -1.383 -7.364 1.00 0.00 N ATOM 1405 CA LYS A 92 4.280 -0.153 -7.742 1.00 0.00 C ATOM 1406 C LYS A 92 5.672 -0.096 -7.122 1.00 0.00 C ATOM 1407 O LYS A 92 6.661 0.146 -7.813 1.00 0.00 O ATOM 1408 CB LYS A 92 3.465 1.066 -7.305 1.00 0.00 C ATOM 1409 CG LYS A 92 2.249 1.329 -8.178 1.00 0.00 C ATOM 1410 CD LYS A 92 1.320 2.351 -7.545 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.076 2.282 -8.145 1.00 0.00 C ATOM 1412 NZ LYS A 92 -0.136 2.928 -9.485 1.00 0.00 N ATOM 0 H LYS A 92 2.747 -1.240 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 92 4.384 -0.143 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.139 0.924 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.108 1.946 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.572 1.686 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.709 0.397 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.264 2.177 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.728 3.352 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.384 1.240 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.784 2.770 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.104 2.860 -9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.133 3.929 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.521 2.447 -10.132 1.00 0.00 H new ATOM 1426 N ALA A 93 5.742 -0.321 -5.814 1.00 0.00 N ATOM 1427 CA ALA A 93 7.014 -0.298 -5.101 1.00 0.00 C ATOM 1428 C ALA A 93 8.122 -0.930 -5.936 1.00 0.00 C ATOM 1429 O ALA A 93 9.229 -0.397 -6.021 1.00 0.00 O ATOM 1430 CB ALA A 93 6.883 -1.014 -3.765 1.00 0.00 C ATOM 0 H ALA A 93 4.933 -0.521 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 93 7.281 0.743 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.840 -0.989 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.126 -0.517 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.589 -2.050 -3.935 1.00 0.00 H new ATOM 1436 N ARG A 94 7.818 -2.068 -6.552 1.00 0.00 N ATOM 1437 CA ARG A 94 8.790 -2.773 -7.379 1.00 0.00 C ATOM 1438 C ARG A 94 9.079 -1.996 -8.660 1.00 0.00 C ATOM 1439 O ARG A 94 10.233 -1.861 -9.070 1.00 0.00 O ATOM 1440 CB ARG A 94 8.278 -4.173 -7.723 1.00 0.00 C ATOM 1441 CG ARG A 94 9.125 -4.893 -8.759 1.00 0.00 C ATOM 1442 CD ARG A 94 8.338 -5.993 -9.455 1.00 0.00 C ATOM 1443 NE ARG A 94 9.168 -6.756 -10.383 1.00 0.00 N ATOM 1444 CZ ARG A 94 9.464 -6.347 -11.611 1.00 0.00 C ATOM 1445 NH1 ARG A 94 9.001 -5.188 -12.057 1.00 0.00 N ATOM 1446 NH2 ARG A 94 10.226 -7.098 -12.397 1.00 0.00 N ATOM 0 H ARG A 94 6.906 -2.521 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 94 9.716 -2.862 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.245 -4.772 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.255 -4.096 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.484 -4.177 -9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.004 -5.322 -8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.917 -6.666 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.500 -5.553 -9.996 1.00 0.00 H new ATOM 0 HE ARG A 94 9.541 -7.653 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.416 -4.608 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.230 -4.876 -13.001 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.585 -7.990 -12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.453 -6.783 -13.340 1.00 0.00 H new ATOM 1460 N LEU A 95 8.024 -1.487 -9.287 1.00 0.00 N ATOM 1461 CA LEU A 95 8.164 -0.723 -10.523 1.00 0.00 C ATOM 1462 C LEU A 95 8.763 0.652 -10.248 1.00 0.00 C ATOM 1463 O LEU A 95 9.045 1.415 -11.173 1.00 0.00 O ATOM 1464 CB LEU A 95 6.806 -0.573 -11.209 1.00 0.00 C ATOM 1465 CG LEU A 95 6.000 -1.860 -11.393 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.555 -1.539 -11.739 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.628 -2.733 -12.469 1.00 0.00 C ATOM 0 H LEU A 95 7.063 -1.589 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 95 8.839 -1.267 -11.183 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.205 0.129 -10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.965 -0.124 -12.190 1.00 0.00 H new ATOM 0 HG LEU A 95 6.013 -2.412 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.997 -2.466 -11.866 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.109 -0.955 -10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.521 -0.965 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.041 -3.644 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.647 -2.189 -13.414 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.646 -2.992 -12.179 1.00 0.00 H new ATOM 1479 N LEU A 96 8.957 0.963 -8.971 1.00 0.00 N ATOM 1480 CA LEU A 96 9.525 2.246 -8.573 1.00 0.00 C ATOM 1481 C LEU A 96 10.932 2.068 -8.011 1.00 0.00 C ATOM 1482 O LEU A 96 11.913 2.490 -8.623 1.00 0.00 O ATOM 1483 CB LEU A 96 8.629 2.922 -7.533 1.00 0.00 C ATOM 1484 CG LEU A 96 8.742 4.444 -7.438 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.180 4.856 -7.159 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.236 5.097 -8.716 1.00 0.00 C ATOM 0 H LEU A 96 8.729 0.344 -8.193 1.00 0.00 H new ATOM 0 HA LEU A 96 9.585 2.879 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.593 2.668 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.858 2.499 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 96 8.121 4.785 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.241 5.942 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.508 4.418 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.823 4.504 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.324 6.180 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.830 4.750 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.191 4.829 -8.872 1.00 0.00 H new ATOM 1498 N TYR A 97 11.022 1.440 -6.844 1.00 0.00 N ATOM 1499 CA TYR A 97 12.308 1.207 -6.199 1.00 0.00 C ATOM 1500 C TYR A 97 13.052 0.056 -6.869 1.00 0.00 C ATOM 1501 O TYR A 97 14.250 0.148 -7.134 1.00 0.00 O ATOM 1502 CB TYR A 97 12.110 0.904 -4.713 1.00 0.00 C ATOM 1503 CG TYR A 97 11.377 1.994 -3.965 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.063 3.074 -3.422 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.998 1.946 -3.801 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.397 4.072 -2.738 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.324 2.940 -3.119 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.028 4.001 -2.589 1.00 0.00 C ATOM 1509 OH TYR A 97 9.361 4.994 -1.909 1.00 0.00 O ATOM 0 H TYR A 97 10.219 1.083 -6.326 1.00 0.00 H new ATOM 0 HA TYR A 97 12.906 2.112 -6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.557 -0.030 -4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.084 0.749 -4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.135 3.134 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.443 1.117 -4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.946 4.904 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.252 2.887 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 97 8.402 4.793 -1.895 1.00 0.00 H new ATOM 1519 N GLU A 98 12.332 -1.028 -7.141 1.00 0.00 N ATOM 1520 CA GLU A 98 12.924 -2.197 -7.780 1.00 0.00 C ATOM 1521 C GLU A 98 12.833 -2.091 -9.300 1.00 0.00 C ATOM 1522 O GLU A 98 12.630 -3.088 -9.991 1.00 0.00 O ATOM 1523 CB GLU A 98 12.226 -3.473 -7.305 1.00 0.00 C ATOM 1524 CG GLU A 98 13.058 -4.730 -7.499 1.00 0.00 C ATOM 1525 CD GLU A 98 12.447 -5.944 -6.827 1.00 0.00 C ATOM 1526 OE1 GLU A 98 12.188 -5.878 -5.607 1.00 0.00 O ATOM 1527 OE2 GLU A 98 12.228 -6.959 -7.520 1.00 0.00 O ATOM 0 H GLU A 98 11.339 -1.121 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 98 13.976 -2.240 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.979 -3.370 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.285 -3.584 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.169 -4.927 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.059 -4.564 -7.100 1.00 0.00 H new ATOM 1534 N ALA A 99 12.984 -0.874 -9.812 1.00 0.00 N ATOM 1535 CA ALA A 99 12.921 -0.636 -11.249 1.00 0.00 C ATOM 1536 C ALA A 99 14.265 -0.157 -11.786 1.00 0.00 C ATOM 1537 O ALA A 99 14.642 -0.474 -12.913 1.00 0.00 O ATOM 1538 CB ALA A 99 11.831 0.377 -11.569 1.00 0.00 C ATOM 0 H ALA A 99 13.151 -0.037 -9.253 1.00 0.00 H new ATOM 0 HA ALA A 99 12.680 -1.580 -11.738 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.795 0.545 -12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.868 -0.005 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.048 1.317 -11.062 1.00 0.00 H new ATOM 1544 N ASN A 100 14.984 0.609 -10.971 1.00 0.00 N ATOM 1545 CA ASN A 100 16.286 1.133 -11.365 1.00 0.00 C ATOM 1546 C ASN A 100 17.403 0.177 -10.956 1.00 0.00 C ATOM 1547 O ASN A 100 18.569 0.567 -10.874 1.00 0.00 O ATOM 1548 CB ASN A 100 16.519 2.507 -10.734 1.00 0.00 C ATOM 1549 CG ASN A 100 15.989 3.636 -11.597 1.00 0.00 C ATOM 1550 OD1 ASN A 100 14.987 4.346 -11.093 1.00 0.00 O flip ATOM 1551 ND2 ASN A 100 16.476 3.867 -12.704 1.00 0.00 N flip ATOM 0 H ASN A 100 14.686 0.880 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 100 16.296 1.233 -12.450 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.036 2.542 -9.757 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.586 2.651 -10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.246 3.295 -13.052 1.00 0.00 H new ATOM 0 HD22 ASN A 100 16.110 4.630 -13.273 1.00 0.00 H new ATOM 1558 N LEU A 101 17.040 -1.074 -10.701 1.00 0.00 N ATOM 1559 CA LEU A 101 18.011 -2.087 -10.301 1.00 0.00 C ATOM 1560 C LEU A 101 19.021 -2.343 -11.415 1.00 0.00 C ATOM 1561 O LEU A 101 18.747 -2.127 -12.596 1.00 0.00 O ATOM 1562 CB LEU A 101 17.298 -3.389 -9.934 1.00 0.00 C ATOM 1563 CG LEU A 101 16.681 -3.446 -8.536 1.00 0.00 C ATOM 1564 CD1 LEU A 101 16.087 -4.820 -8.270 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.720 -3.099 -7.480 1.00 0.00 C ATOM 0 H LEU A 101 16.080 -1.412 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 101 18.547 -1.716 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.509 -3.566 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 101 18.010 -4.209 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 101 15.879 -2.710 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.653 -4.841 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.312 -5.030 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.870 -5.575 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.263 -3.145 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.544 -3.811 -7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.098 -2.093 -7.659 1.00 0.00 H new ATOM 1577 N PRO A 102 20.216 -2.817 -11.033 1.00 0.00 N ATOM 1578 CA PRO A 102 21.290 -3.116 -11.985 1.00 0.00 C ATOM 1579 C PRO A 102 20.975 -4.331 -12.852 1.00 0.00 C ATOM 1580 O PRO A 102 20.216 -5.212 -12.448 1.00 0.00 O ATOM 1581 CB PRO A 102 22.494 -3.400 -11.084 1.00 0.00 C ATOM 1582 CG PRO A 102 21.903 -3.853 -9.794 1.00 0.00 C ATOM 1583 CD PRO A 102 20.611 -3.099 -9.643 1.00 0.00 C ATOM 0 HA PRO A 102 21.450 -2.299 -12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 102 23.139 -4.166 -11.515 1.00 0.00 H new ATOM 0 HB3 PRO A 102 23.106 -2.508 -10.948 1.00 0.00 H new ATOM 0 HG2 PRO A 102 21.728 -4.929 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 102 22.576 -3.645 -8.962 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.858 -3.692 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.746 -2.182 -9.070 1.00 0.00 H new ATOM 1591 N GLU A 103 21.563 -4.371 -14.043 1.00 0.00 N ATOM 1592 CA GLU A 103 21.344 -5.479 -14.966 1.00 0.00 C ATOM 1593 C GLU A 103 21.765 -6.803 -14.336 1.00 0.00 C ATOM 1594 O GLU A 103 21.261 -7.864 -14.701 1.00 0.00 O ATOM 1595 CB GLU A 103 22.118 -5.250 -16.265 1.00 0.00 C ATOM 1596 CG GLU A 103 22.182 -6.477 -17.160 1.00 0.00 C ATOM 1597 CD GLU A 103 20.908 -6.687 -17.954 1.00 0.00 C ATOM 1598 OE1 GLU A 103 20.416 -5.709 -18.555 1.00 0.00 O ATOM 1599 OE2 GLU A 103 20.402 -7.828 -17.974 1.00 0.00 O ATOM 0 H GLU A 103 22.194 -3.650 -14.392 1.00 0.00 H new ATOM 0 HA GLU A 103 20.278 -5.526 -15.190 1.00 0.00 H new ATOM 0 HB2 GLU A 103 21.653 -4.433 -16.816 1.00 0.00 H new ATOM 0 HB3 GLU A 103 23.133 -4.934 -16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 103 23.022 -6.377 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 103 22.374 -7.359 -16.548 1.00 0.00 H new ATOM 1606 N ASN A 104 22.694 -6.732 -13.387 1.00 0.00 N ATOM 1607 CA ASN A 104 23.185 -7.924 -12.707 1.00 0.00 C ATOM 1608 C ASN A 104 22.878 -7.864 -11.213 1.00 0.00 C ATOM 1609 O ASN A 104 23.727 -8.181 -10.381 1.00 0.00 O ATOM 1610 CB ASN A 104 24.691 -8.077 -12.923 1.00 0.00 C ATOM 1611 CG ASN A 104 25.482 -6.940 -12.306 1.00 0.00 C ATOM 1612 OD1 ASN A 104 25.893 -5.986 -13.134 1.00 0.00 O flip ATOM 1613 ND2 ASN A 104 25.721 -6.919 -11.098 1.00 0.00 N flip ATOM 0 H ASN A 104 23.121 -5.861 -13.072 1.00 0.00 H new ATOM 0 HA ASN A 104 22.675 -8.789 -13.131 1.00 0.00 H new ATOM 0 HB2 ASN A 104 25.023 -9.022 -12.493 1.00 0.00 H new ATOM 0 HB3 ASN A 104 24.899 -8.123 -13.992 1.00 0.00 H new ATOM 0 HD21 ASN A 104 25.386 -7.673 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 104 26.254 -6.147 -10.697 1.00 0.00 H new ATOM 1620 N PHE A 105 21.658 -7.455 -10.882 1.00 0.00 N ATOM 1621 CA PHE A 105 21.238 -7.352 -9.489 1.00 0.00 C ATOM 1622 C PHE A 105 21.250 -8.721 -8.815 1.00 0.00 C ATOM 1623 O PHE A 105 20.938 -9.735 -9.439 1.00 0.00 O ATOM 1624 CB PHE A 105 19.838 -6.739 -9.400 1.00 0.00 C ATOM 1625 CG PHE A 105 19.127 -7.055 -8.116 1.00 0.00 C ATOM 1626 CD1 PHE A 105 19.529 -6.474 -6.924 1.00 0.00 C ATOM 1627 CD2 PHE A 105 18.055 -7.934 -8.100 1.00 0.00 C ATOM 1628 CE1 PHE A 105 18.876 -6.763 -5.740 1.00 0.00 C ATOM 1629 CE2 PHE A 105 17.398 -8.226 -6.920 1.00 0.00 C ATOM 1630 CZ PHE A 105 17.809 -7.641 -5.739 1.00 0.00 C ATOM 0 H PHE A 105 20.943 -7.189 -11.559 1.00 0.00 H new ATOM 0 HA PHE A 105 21.944 -6.704 -8.969 1.00 0.00 H new ATOM 0 HB2 PHE A 105 19.916 -5.657 -9.506 1.00 0.00 H new ATOM 0 HB3 PHE A 105 19.239 -7.099 -10.236 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.362 -5.787 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 105 17.730 -8.396 -9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 105 19.199 -6.303 -4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.563 -8.911 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.297 -7.869 -4.816 1.00 0.00 H new ATOM 1640 N ARG A 106 21.614 -8.741 -7.537 1.00 0.00 N ATOM 1641 CA ARG A 106 21.669 -9.984 -6.778 1.00 0.00 C ATOM 1642 C ARG A 106 21.026 -9.812 -5.404 1.00 0.00 C ATOM 1643 O ARG A 106 21.620 -9.223 -4.500 1.00 0.00 O ATOM 1644 CB ARG A 106 23.119 -10.446 -6.620 1.00 0.00 C ATOM 1645 CG ARG A 106 24.034 -9.387 -6.028 1.00 0.00 C ATOM 1646 CD ARG A 106 25.453 -9.518 -6.559 1.00 0.00 C ATOM 1647 NE ARG A 106 26.203 -8.271 -6.429 1.00 0.00 N ATOM 1648 CZ ARG A 106 26.852 -7.916 -5.326 1.00 0.00 C ATOM 1649 NH1 ARG A 106 26.844 -8.709 -4.263 1.00 0.00 N ATOM 1650 NH2 ARG A 106 27.512 -6.765 -5.284 1.00 0.00 N ATOM 0 H ARG A 106 21.875 -7.910 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 106 21.111 -10.741 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 106 23.142 -11.331 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 106 23.505 -10.744 -7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 106 23.646 -8.396 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 106 24.041 -9.476 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 106 25.971 -10.310 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 106 25.422 -9.815 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 106 26.230 -7.639 -7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 106 26.338 -9.594 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 106 27.343 -8.433 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 106 27.521 -6.152 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 106 28.010 -6.493 -4.436 1.00 0.00 H new ATOM 1664 N ARG A 107 19.811 -10.328 -5.257 1.00 0.00 N ATOM 1665 CA ARG A 107 19.087 -10.229 -3.995 1.00 0.00 C ATOM 1666 C ARG A 107 19.937 -10.748 -2.839 1.00 0.00 C ATOM 1667 O ARG A 107 20.313 -11.920 -2.789 1.00 0.00 O ATOM 1668 CB ARG A 107 17.777 -11.015 -4.071 1.00 0.00 C ATOM 1669 CG ARG A 107 16.731 -10.554 -3.069 1.00 0.00 C ATOM 1670 CD ARG A 107 15.544 -11.503 -3.026 1.00 0.00 C ATOM 1671 NE ARG A 107 15.901 -12.801 -2.460 1.00 0.00 N ATOM 1672 CZ ARG A 107 15.209 -13.914 -2.677 1.00 0.00 C ATOM 1673 NH1 ARG A 107 14.128 -13.887 -3.445 1.00 0.00 N ATOM 1674 NH2 ARG A 107 15.598 -15.057 -2.127 1.00 0.00 N ATOM 0 H ARG A 107 19.307 -10.819 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 107 18.862 -9.178 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.368 -10.926 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.987 -12.072 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.180 -10.486 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.389 -9.553 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.745 -11.057 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 107 15.154 -11.642 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 107 16.728 -12.856 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.826 -13.010 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.598 -14.743 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.429 -15.082 -1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 107 15.066 -15.911 -2.295 1.00 0.00 H new ATOM 1688 N PRO A 108 20.249 -9.857 -1.886 1.00 0.00 N ATOM 1689 CA PRO A 108 21.057 -10.201 -0.713 1.00 0.00 C ATOM 1690 C PRO A 108 20.317 -11.121 0.252 1.00 0.00 C ATOM 1691 O PRO A 108 19.123 -10.947 0.495 1.00 0.00 O ATOM 1692 CB PRO A 108 21.328 -8.845 -0.058 1.00 0.00 C ATOM 1693 CG PRO A 108 20.198 -7.980 -0.497 1.00 0.00 C ATOM 1694 CD PRO A 108 19.835 -8.444 -1.881 1.00 0.00 C ATOM 0 HA PRO A 108 21.961 -10.745 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.363 -8.930 1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.287 -8.436 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.349 -8.073 0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.489 -6.930 -0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.767 -8.337 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 108 20.356 -7.870 -2.647 1.00 0.00 H new ATOM 1702 N GLN A 109 21.033 -12.098 0.799 1.00 0.00 N ATOM 1703 CA GLN A 109 20.442 -13.044 1.738 1.00 0.00 C ATOM 1704 C GLN A 109 20.888 -12.745 3.165 1.00 0.00 C ATOM 1705 O GLN A 109 20.109 -12.870 4.110 1.00 0.00 O ATOM 1706 CB GLN A 109 20.825 -14.476 1.360 1.00 0.00 C ATOM 1707 CG GLN A 109 20.246 -14.930 0.030 1.00 0.00 C ATOM 1708 CD GLN A 109 18.788 -15.333 0.135 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.898 -14.347 0.117 1.00 0.00 O flip ATOM 1710 NE2 GLN A 109 18.465 -16.517 0.232 1.00 0.00 N flip ATOM 0 H GLN A 109 22.023 -12.255 0.608 1.00 0.00 H new ATOM 0 HA GLN A 109 19.358 -12.940 1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.911 -14.554 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.486 -15.153 2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.345 -14.125 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.826 -15.773 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 109 19.182 -17.242 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.480 -16.773 0.303 1.00 0.00 H new ATOM 1719 N THR A 110 22.149 -12.351 3.316 1.00 0.00 N ATOM 1720 CA THR A 110 22.700 -12.036 4.628 1.00 0.00 C ATOM 1721 C THR A 110 22.397 -10.594 5.020 1.00 0.00 C ATOM 1722 O THR A 110 22.656 -9.665 4.255 1.00 0.00 O ATOM 1723 CB THR A 110 24.224 -12.256 4.665 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.866 -11.405 3.709 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.568 -13.708 4.369 1.00 0.00 C ATOM 0 H THR A 110 22.808 -12.243 2.545 1.00 0.00 H new ATOM 0 HA THR A 110 22.225 -12.711 5.340 1.00 0.00 H new ATOM 0 HB THR A 110 24.580 -12.011 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.359 -10.571 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.650 -13.839 4.401 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.102 -14.352 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.199 -13.975 3.379 1.00 0.00 H new ATOM 1733 N ASP A 111 21.847 -10.414 6.216 1.00 0.00 N ATOM 1734 CA ASP A 111 21.511 -9.084 6.710 1.00 0.00 C ATOM 1735 C ASP A 111 22.613 -8.085 6.375 1.00 0.00 C ATOM 1736 O ASP A 111 22.342 -6.989 5.886 1.00 0.00 O ATOM 1737 CB ASP A 111 21.281 -9.122 8.222 1.00 0.00 C ATOM 1738 CG ASP A 111 20.290 -10.193 8.631 1.00 0.00 C ATOM 1739 OD1 ASP A 111 20.601 -11.389 8.451 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.202 -9.836 9.129 1.00 0.00 O ATOM 0 H ASP A 111 21.625 -11.172 6.861 1.00 0.00 H new ATOM 0 HA ASP A 111 20.593 -8.762 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 111 22.231 -9.299 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.919 -8.150 8.556 1.00 0.00 H new ATOM 1745 N GLN A 112 23.856 -8.471 6.644 1.00 0.00 N ATOM 1746 CA GLN A 112 24.999 -7.607 6.372 1.00 0.00 C ATOM 1747 C GLN A 112 24.769 -6.778 5.113 1.00 0.00 C ATOM 1748 O GLN A 112 25.053 -5.582 5.085 1.00 0.00 O ATOM 1749 CB GLN A 112 26.272 -8.442 6.221 1.00 0.00 C ATOM 1750 CG GLN A 112 27.547 -7.614 6.227 1.00 0.00 C ATOM 1751 CD GLN A 112 28.729 -8.360 5.640 1.00 0.00 C ATOM 1752 OE1 GLN A 112 29.356 -9.180 6.311 1.00 0.00 O ATOM 1753 NE2 GLN A 112 29.041 -8.079 4.380 1.00 0.00 N ATOM 0 H GLN A 112 24.097 -9.375 7.050 1.00 0.00 H new ATOM 0 HA GLN A 112 25.116 -6.927 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.317 -9.170 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.219 -9.005 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.383 -6.697 5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.780 -7.319 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 112 28.494 -7.392 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.827 -8.550 3.932 1.00 0.00 H new ATOM 1762 N ALA A 113 24.251 -7.424 4.073 1.00 0.00 N ATOM 1763 CA ALA A 113 23.980 -6.746 2.811 1.00 0.00 C ATOM 1764 C ALA A 113 22.567 -6.174 2.787 1.00 0.00 C ATOM 1765 O ALA A 113 22.369 -4.993 2.501 1.00 0.00 O ATOM 1766 CB ALA A 113 24.185 -7.701 1.644 1.00 0.00 C ATOM 0 H ALA A 113 24.011 -8.415 4.080 1.00 0.00 H new ATOM 0 HA ALA A 113 24.681 -5.917 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.979 -7.181 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.215 -8.057 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.508 -8.549 1.745 1.00 0.00 H new ATOM 1772 N VAL A 114 21.586 -7.019 3.090 1.00 0.00 N ATOM 1773 CA VAL A 114 20.191 -6.597 3.103 1.00 0.00 C ATOM 1774 C VAL A 114 20.036 -5.231 3.764 1.00 0.00 C ATOM 1775 O VAL A 114 19.479 -4.306 3.174 1.00 0.00 O ATOM 1776 CB VAL A 114 19.304 -7.616 3.842 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.847 -7.179 3.809 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.467 -9.002 3.237 1.00 0.00 C ATOM 0 H VAL A 114 21.732 -8.000 3.330 1.00 0.00 H new ATOM 0 HA VAL A 114 19.870 -6.533 2.063 1.00 0.00 H new ATOM 0 HB VAL A 114 19.622 -7.660 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.235 -7.911 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.747 -6.207 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.513 -7.105 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.833 -9.709 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 114 19.177 -8.977 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.508 -9.315 3.319 1.00 0.00 H new ATOM 1788 N GLU A 115 20.533 -5.114 4.991 1.00 0.00 N ATOM 1789 CA GLU A 115 20.449 -3.860 5.732 1.00 0.00 C ATOM 1790 C GLU A 115 20.775 -2.673 4.830 1.00 0.00 C ATOM 1791 O GLU A 115 20.105 -1.642 4.876 1.00 0.00 O ATOM 1792 CB GLU A 115 21.403 -3.884 6.928 1.00 0.00 C ATOM 1793 CG GLU A 115 21.096 -2.824 7.972 1.00 0.00 C ATOM 1794 CD GLU A 115 22.250 -2.597 8.929 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.232 -1.938 8.527 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.172 -3.077 10.079 1.00 0.00 O ATOM 0 H GLU A 115 20.997 -5.871 5.493 1.00 0.00 H new ATOM 0 HA GLU A 115 19.427 -3.749 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.360 -4.867 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.424 -3.746 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.854 -1.886 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.213 -3.121 8.538 1.00 0.00 H new ATOM 1803 N PHE A 116 21.811 -2.826 4.011 1.00 0.00 N ATOM 1804 CA PHE A 116 22.228 -1.767 3.100 1.00 0.00 C ATOM 1805 C PHE A 116 21.288 -1.680 1.901 1.00 0.00 C ATOM 1806 O PHE A 116 20.682 -0.639 1.648 1.00 0.00 O ATOM 1807 CB PHE A 116 23.661 -2.011 2.622 1.00 0.00 C ATOM 1808 CG PHE A 116 24.702 -1.654 3.644 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.876 -0.339 4.045 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.507 -2.633 4.204 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.834 -0.008 4.985 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.467 -2.308 5.144 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.630 -0.994 5.536 1.00 0.00 C ATOM 0 H PHE A 116 22.377 -3.673 3.960 1.00 0.00 H new ATOM 0 HA PHE A 116 22.189 -0.821 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.772 -3.062 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 116 23.838 -1.430 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.256 0.436 3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.383 -3.663 3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 116 25.960 1.021 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.089 -3.081 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.378 -0.738 6.272 1.00 0.00 H new ATOM 1823 N PHE A 117 21.173 -2.780 1.165 1.00 0.00 N ATOM 1824 CA PHE A 117 20.309 -2.829 -0.008 1.00 0.00 C ATOM 1825 C PHE A 117 19.067 -1.967 0.195 1.00 0.00 C ATOM 1826 O PHE A 117 18.743 -1.120 -0.638 1.00 0.00 O ATOM 1827 CB PHE A 117 19.899 -4.272 -0.307 1.00 0.00 C ATOM 1828 CG PHE A 117 18.883 -4.392 -1.406 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.105 -3.802 -2.640 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.705 -5.094 -1.206 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.171 -3.910 -3.653 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.768 -5.205 -2.215 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.001 -4.613 -3.441 1.00 0.00 C ATOM 0 H PHE A 117 21.668 -3.650 1.360 1.00 0.00 H new ATOM 0 HA PHE A 117 20.869 -2.435 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.786 -4.844 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.496 -4.722 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.018 -3.252 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.517 -5.560 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.356 -3.445 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.854 -5.754 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.270 -4.700 -4.232 1.00 0.00 H new ATOM 1843 N ILE A 118 18.376 -2.189 1.308 1.00 0.00 N ATOM 1844 CA ILE A 118 17.169 -1.433 1.621 1.00 0.00 C ATOM 1845 C ILE A 118 17.492 0.034 1.882 1.00 0.00 C ATOM 1846 O ILE A 118 16.757 0.927 1.460 1.00 0.00 O ATOM 1847 CB ILE A 118 16.444 -2.014 2.850 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.001 -3.452 2.575 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.250 -1.147 3.218 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.788 -4.269 3.831 1.00 0.00 C ATOM 0 H ILE A 118 18.631 -2.886 2.008 1.00 0.00 H new ATOM 0 HA ILE A 118 16.514 -1.510 0.753 1.00 0.00 H new ATOM 0 HB ILE A 118 17.136 -2.022 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.075 -3.435 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.751 -3.943 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.748 -1.570 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.591 -0.138 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.555 -1.111 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.475 -5.277 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.719 -4.317 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.016 -3.802 4.443 1.00 0.00 H new ATOM 1862 N ARG A 119 18.598 0.276 2.578 1.00 0.00 N ATOM 1863 CA ARG A 119 19.020 1.635 2.895 1.00 0.00 C ATOM 1864 C ARG A 119 19.359 2.409 1.624 1.00 0.00 C ATOM 1865 O ARG A 119 18.748 3.437 1.330 1.00 0.00 O ATOM 1866 CB ARG A 119 20.231 1.612 3.829 1.00 0.00 C ATOM 1867 CG ARG A 119 19.862 1.614 5.304 1.00 0.00 C ATOM 1868 CD ARG A 119 21.090 1.445 6.185 1.00 0.00 C ATOM 1869 NE ARG A 119 21.830 2.694 6.338 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.754 3.111 5.480 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.050 2.382 4.413 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.385 4.260 5.687 1.00 0.00 N ATOM 0 H ARG A 119 19.218 -0.452 2.933 1.00 0.00 H new ATOM 0 HA ARG A 119 18.193 2.137 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.829 0.726 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.858 2.478 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.360 2.549 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.155 0.809 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 119 20.785 1.082 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.744 0.687 5.754 1.00 0.00 H new ATOM 0 HE ARG A 119 21.626 3.279 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.568 1.498 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.760 2.705 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 119 23.161 4.825 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 119 24.094 4.578 5.027 1.00 0.00 H new ATOM 1886 N ASP A 120 20.337 1.909 0.877 1.00 0.00 N ATOM 1887 CA ASP A 120 20.757 2.553 -0.362 1.00 0.00 C ATOM 1888 C ASP A 120 19.639 2.519 -1.399 1.00 0.00 C ATOM 1889 O ASP A 120 19.713 3.187 -2.431 1.00 0.00 O ATOM 1890 CB ASP A 120 22.006 1.868 -0.919 1.00 0.00 C ATOM 1891 CG ASP A 120 23.121 1.776 0.104 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.018 0.932 1.020 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.096 2.547 -0.010 1.00 0.00 O ATOM 0 H ASP A 120 20.854 1.060 1.108 1.00 0.00 H new ATOM 0 HA ASP A 120 20.990 3.594 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.746 0.866 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.361 2.419 -1.790 1.00 0.00 H new ATOM 1898 N LYS A 121 18.603 1.736 -1.119 1.00 0.00 N ATOM 1899 CA LYS A 121 17.467 1.613 -2.026 1.00 0.00 C ATOM 1900 C LYS A 121 16.408 2.666 -1.716 1.00 0.00 C ATOM 1901 O LYS A 121 15.849 3.283 -2.623 1.00 0.00 O ATOM 1902 CB LYS A 121 16.856 0.214 -1.925 1.00 0.00 C ATOM 1903 CG LYS A 121 15.450 0.122 -2.493 1.00 0.00 C ATOM 1904 CD LYS A 121 14.978 -1.319 -2.582 1.00 0.00 C ATOM 1905 CE LYS A 121 15.356 -1.948 -3.915 1.00 0.00 C ATOM 1906 NZ LYS A 121 14.377 -2.989 -4.334 1.00 0.00 N ATOM 0 H LYS A 121 18.526 1.176 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 121 17.826 1.772 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.498 -0.493 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.837 -0.090 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.765 0.692 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.427 0.575 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.416 -1.897 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.896 -1.357 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.412 -1.173 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.348 -2.392 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.423 -3.114 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.605 -3.889 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.418 -2.692 -4.064 1.00 0.00 H new ATOM 1920 N TYR A 122 16.138 2.867 -0.431 1.00 0.00 N ATOM 1921 CA TYR A 122 15.145 3.845 -0.003 1.00 0.00 C ATOM 1922 C TYR A 122 15.816 5.074 0.602 1.00 0.00 C ATOM 1923 O TYR A 122 15.493 6.208 0.249 1.00 0.00 O ATOM 1924 CB TYR A 122 14.189 3.220 1.015 1.00 0.00 C ATOM 1925 CG TYR A 122 13.139 2.329 0.391 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.417 1.003 0.085 1.00 0.00 C ATOM 1927 CD2 TYR A 122 11.868 2.814 0.107 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.461 0.185 -0.486 1.00 0.00 C ATOM 1929 CE2 TYR A 122 10.905 2.003 -0.463 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.207 0.690 -0.757 1.00 0.00 C ATOM 1931 OH TYR A 122 10.251 -0.120 -1.325 1.00 0.00 O ATOM 0 H TYR A 122 16.593 2.366 0.332 1.00 0.00 H new ATOM 0 HA TYR A 122 14.579 4.157 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.766 2.639 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.694 4.015 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.398 0.604 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.629 3.842 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 122 12.695 -0.843 -0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.922 2.395 -0.677 1.00 0.00 H new ATOM 0 HH TYR A 122 9.959 0.266 -2.177 1.00 0.00 H new ATOM 1941 N GLU A 123 16.754 4.840 1.515 1.00 0.00 N ATOM 1942 CA GLU A 123 17.472 5.928 2.169 1.00 0.00 C ATOM 1943 C GLU A 123 18.214 6.783 1.146 1.00 0.00 C ATOM 1944 O GLU A 123 17.996 7.991 1.055 1.00 0.00 O ATOM 1945 CB GLU A 123 18.459 5.371 3.197 1.00 0.00 C ATOM 1946 CG GLU A 123 18.789 6.347 4.314 1.00 0.00 C ATOM 1947 CD GLU A 123 20.001 5.923 5.121 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.842 5.175 4.578 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.108 6.337 6.294 1.00 0.00 O ATOM 0 H GLU A 123 17.034 3.907 1.818 1.00 0.00 H new ATOM 0 HA GLU A 123 16.742 6.556 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.044 4.462 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.381 5.089 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.968 7.334 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.929 6.438 4.978 1.00 0.00 H new ATOM 1956 N LYS A 124 19.092 6.147 0.378 1.00 0.00 N ATOM 1957 CA LYS A 124 19.867 6.847 -0.640 1.00 0.00 C ATOM 1958 C LYS A 124 19.039 7.059 -1.904 1.00 0.00 C ATOM 1959 O LYS A 124 19.316 7.961 -2.695 1.00 0.00 O ATOM 1960 CB LYS A 124 21.136 6.060 -0.975 1.00 0.00 C ATOM 1961 CG LYS A 124 21.990 5.737 0.239 1.00 0.00 C ATOM 1962 CD LYS A 124 22.842 6.925 0.652 1.00 0.00 C ATOM 1963 CE LYS A 124 23.637 6.629 1.915 1.00 0.00 C ATOM 1964 NZ LYS A 124 22.797 6.749 3.139 1.00 0.00 N ATOM 0 H LYS A 124 19.285 5.147 0.441 1.00 0.00 H new ATOM 0 HA LYS A 124 20.146 7.822 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.857 5.130 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.732 6.633 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.348 5.442 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.634 4.886 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.525 7.183 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.203 7.792 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.051 5.623 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.480 7.317 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 23.410 6.862 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 22.175 7.578 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 22.219 5.892 3.249 1.00 0.00 H new ATOM 1978 N LYS A 125 18.022 6.224 -2.087 1.00 0.00 N ATOM 1979 CA LYS A 125 17.152 6.322 -3.252 1.00 0.00 C ATOM 1980 C LYS A 125 17.934 6.072 -4.538 1.00 0.00 C ATOM 1981 O LYS A 125 17.611 6.623 -5.591 1.00 0.00 O ATOM 1982 CB LYS A 125 16.489 7.701 -3.306 1.00 0.00 C ATOM 1983 CG LYS A 125 15.542 7.965 -2.149 1.00 0.00 C ATOM 1984 CD LYS A 125 14.289 7.110 -2.247 1.00 0.00 C ATOM 1985 CE LYS A 125 13.103 7.779 -1.569 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.119 7.573 -0.094 1.00 0.00 N ATOM 0 H LYS A 125 17.780 5.471 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 125 16.380 5.558 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.264 8.468 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.940 7.795 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.051 7.760 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.264 9.019 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.054 6.926 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.473 6.139 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.115 8.847 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.176 7.380 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.288 7.015 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.985 7.065 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.095 8.495 0.386 1.00 0.00 H new ATOM 2000 N LYS A 126 18.963 5.237 -4.446 1.00 0.00 N ATOM 2001 CA LYS A 126 19.790 4.911 -5.601 1.00 0.00 C ATOM 2002 C LYS A 126 18.936 4.387 -6.751 1.00 0.00 C ATOM 2003 O LYS A 126 18.815 5.034 -7.792 1.00 0.00 O ATOM 2004 CB LYS A 126 20.846 3.870 -5.221 1.00 0.00 C ATOM 2005 CG LYS A 126 22.097 4.471 -4.602 1.00 0.00 C ATOM 2006 CD LYS A 126 23.130 3.403 -4.284 1.00 0.00 C ATOM 2007 CE LYS A 126 23.806 2.889 -5.546 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.465 1.572 -5.324 1.00 0.00 N ATOM 0 H LYS A 126 19.244 4.773 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 126 20.289 5.823 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.408 3.160 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.126 3.307 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.527 5.202 -5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.832 5.005 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.881 3.812 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.650 2.574 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.067 2.796 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.547 3.614 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.131 1.382 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.981 1.590 -4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 23.744 0.823 -5.296 1.00 0.00 H new ATOM 2022 N TYR A 127 18.345 3.213 -6.556 1.00 0.00 N ATOM 2023 CA TYR A 127 17.503 2.602 -7.578 1.00 0.00 C ATOM 2024 C TYR A 127 16.081 3.151 -7.511 1.00 0.00 C ATOM 2025 O TYR A 127 15.113 2.428 -7.745 1.00 0.00 O ATOM 2026 CB TYR A 127 17.483 1.082 -7.410 1.00 0.00 C ATOM 2027 CG TYR A 127 18.767 0.518 -6.844 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.976 0.455 -5.472 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.771 0.049 -7.682 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.147 -0.059 -4.951 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.945 -0.468 -7.169 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.129 -0.519 -5.803 1.00 0.00 C ATOM 2033 OH TYR A 127 22.298 -1.032 -5.289 1.00 0.00 O ATOM 0 H TYR A 127 18.433 2.666 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 127 17.923 2.848 -8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.656 0.808 -6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.289 0.620 -8.378 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.209 0.814 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.631 0.089 -8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.293 -0.101 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.715 -0.830 -7.834 1.00 0.00 H new ATOM 0 HH TYR A 127 22.883 -1.312 -6.024 1.00 0.00 H new ATOM 2043 N TYR A 128 15.965 4.436 -7.192 1.00 0.00 N ATOM 2044 CA TYR A 128 14.662 5.083 -7.093 1.00 0.00 C ATOM 2045 C TYR A 128 14.260 5.705 -8.427 1.00 0.00 C ATOM 2046 O TYR A 128 14.951 6.578 -8.951 1.00 0.00 O ATOM 2047 CB TYR A 128 14.685 6.157 -6.004 1.00 0.00 C ATOM 2048 CG TYR A 128 13.330 6.771 -5.731 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.296 6.012 -5.197 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.085 8.111 -6.006 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.057 6.569 -4.947 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.850 8.677 -5.758 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.839 7.902 -5.229 1.00 0.00 C ATOM 2054 OH TYR A 128 9.606 8.461 -4.980 1.00 0.00 O ATOM 0 H TYR A 128 16.757 5.049 -6.998 1.00 0.00 H new ATOM 0 HA TYR A 128 13.926 4.323 -6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.069 5.720 -5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.379 6.945 -6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.464 4.969 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.874 8.720 -6.421 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.263 5.965 -4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.677 9.720 -5.977 1.00 0.00 H new ATOM 0 HH TYR A 128 9.619 9.408 -5.233 1.00 0.00 H new ATOM 2064 N ASP A 129 13.137 5.248 -8.970 1.00 0.00 N ATOM 2065 CA ASP A 129 12.639 5.759 -10.242 1.00 0.00 C ATOM 2066 C ASP A 129 11.493 6.741 -10.022 1.00 0.00 C ATOM 2067 O ASP A 129 10.406 6.357 -9.590 1.00 0.00 O ATOM 2068 CB ASP A 129 12.175 4.606 -11.133 1.00 0.00 C ATOM 2069 CG ASP A 129 12.212 4.961 -12.606 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.511 5.916 -13.003 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.940 4.285 -13.362 1.00 0.00 O ATOM 0 H ASP A 129 12.554 4.524 -8.549 1.00 0.00 H new ATOM 0 HA ASP A 129 13.455 6.285 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.808 3.737 -10.956 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.160 4.323 -10.856 1.00 0.00 H new ATOM 2076 N LYS A 130 11.744 8.012 -10.321 1.00 0.00 N ATOM 2077 CA LYS A 130 10.734 9.050 -10.156 1.00 0.00 C ATOM 2078 C LYS A 130 9.883 9.185 -11.415 1.00 0.00 C ATOM 2079 O LYS A 130 8.709 9.549 -11.346 1.00 0.00 O ATOM 2080 CB LYS A 130 11.398 10.390 -9.831 1.00 0.00 C ATOM 2081 CG LYS A 130 12.171 10.984 -10.996 1.00 0.00 C ATOM 2082 CD LYS A 130 13.199 11.999 -10.524 1.00 0.00 C ATOM 2083 CE LYS A 130 14.095 12.456 -11.664 1.00 0.00 C ATOM 2084 NZ LYS A 130 15.265 11.554 -11.847 1.00 0.00 N ATOM 0 H LYS A 130 12.638 8.347 -10.679 1.00 0.00 H new ATOM 0 HA LYS A 130 10.085 8.763 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.632 11.098 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 130 12.075 10.255 -8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.671 10.187 -11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.478 11.462 -11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.690 12.861 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.809 11.561 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 130 13.517 12.493 -12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.445 13.469 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.851 11.900 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 15.831 11.538 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.932 10.592 -12.061 1.00 0.00 H new ATOM 2098 N ASN A 131 10.481 8.888 -12.564 1.00 0.00 N ATOM 2099 CA ASN A 131 9.777 8.976 -13.838 1.00 0.00 C ATOM 2100 C ASN A 131 8.437 8.251 -13.769 1.00 0.00 C ATOM 2101 O ASN A 131 7.426 8.746 -14.266 1.00 0.00 O ATOM 2102 CB ASN A 131 10.634 8.384 -14.959 1.00 0.00 C ATOM 2103 CG ASN A 131 11.655 9.372 -15.489 1.00 0.00 C ATOM 2104 OD1 ASN A 131 11.401 10.576 -15.544 1.00 0.00 O ATOM 2105 ND2 ASN A 131 12.818 8.866 -15.884 1.00 0.00 N ATOM 0 H ASN A 131 11.452 8.584 -12.639 1.00 0.00 H new ATOM 0 HA ASN A 131 9.590 10.029 -14.051 1.00 0.00 H new ATOM 0 HB2 ASN A 131 11.149 7.497 -14.590 1.00 0.00 H new ATOM 0 HB3 ASN A 131 9.988 8.061 -15.775 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.544 9.482 -16.251 1.00 0.00 H new ATOM 0 HD22 ASN A 131 12.985 7.862 -15.820 1.00 0.00 H new ATOM 2112 N ALA A 132 8.437 7.075 -13.150 1.00 0.00 N ATOM 2113 CA ALA A 132 7.222 6.283 -13.014 1.00 0.00 C ATOM 2114 C ALA A 132 6.070 7.131 -12.487 1.00 0.00 C ATOM 2115 O ALA A 132 5.118 7.422 -13.212 1.00 0.00 O ATOM 2116 CB ALA A 132 7.467 5.093 -12.098 1.00 0.00 C ATOM 0 H ALA A 132 9.266 6.650 -12.735 1.00 0.00 H new ATOM 0 HA ALA A 132 6.945 5.915 -14.002 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.551 4.510 -12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.254 4.467 -12.518 1.00 0.00 H new ATOM 0 HB3 ALA A 132 7.772 5.448 -11.114 1.00 0.00 H new ATOM 2122 N ILE A 133 6.162 7.524 -11.221 1.00 0.00 N ATOM 2123 CA ILE A 133 5.127 8.339 -10.597 1.00 0.00 C ATOM 2124 C ILE A 133 4.620 9.411 -11.555 1.00 0.00 C ATOM 2125 O ILE A 133 3.426 9.483 -11.847 1.00 0.00 O ATOM 2126 CB ILE A 133 5.641 9.016 -9.313 1.00 0.00 C ATOM 2127 CG1 ILE A 133 6.024 7.961 -8.273 1.00 0.00 C ATOM 2128 CG2 ILE A 133 4.588 9.961 -8.754 1.00 0.00 C ATOM 2129 CD1 ILE A 133 6.686 8.539 -7.041 1.00 0.00 C ATOM 0 H ILE A 133 6.943 7.291 -10.607 1.00 0.00 H new ATOM 0 HA ILE A 133 4.308 7.667 -10.341 1.00 0.00 H new ATOM 0 HB ILE A 133 6.530 9.598 -9.557 1.00 0.00 H new ATOM 0 HG12 ILE A 133 5.129 7.417 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 133 6.698 7.238 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 133 4.966 10.432 -7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 133 4.359 10.729 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 133 3.683 9.400 -8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.930 7.734 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 133 7.600 9.059 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.006 9.241 -6.558 1.00 0.00 H new ATOM 2141 N ALA A 134 5.535 10.242 -12.043 1.00 0.00 N ATOM 2142 CA ALA A 134 5.182 11.308 -12.972 1.00 0.00 C ATOM 2143 C ALA A 134 4.214 10.808 -14.040 1.00 0.00 C ATOM 2144 O ALA A 134 4.458 9.786 -14.682 1.00 0.00 O ATOM 2145 CB ALA A 134 6.434 11.881 -13.619 1.00 0.00 C ATOM 0 H ALA A 134 6.527 10.197 -11.810 1.00 0.00 H new ATOM 0 HA ALA A 134 4.684 12.097 -12.408 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.155 12.676 -14.310 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.090 12.284 -12.848 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.955 11.093 -14.163 1.00 0.00 H new ATOM 2151 N ILE A 135 3.116 11.534 -14.223 1.00 0.00 N ATOM 2152 CA ILE A 135 2.113 11.163 -15.213 1.00 0.00 C ATOM 2153 C ILE A 135 2.323 11.921 -16.519 1.00 0.00 C ATOM 2154 O ILE A 135 2.659 13.105 -16.514 1.00 0.00 O ATOM 2155 CB ILE A 135 0.687 11.434 -14.698 1.00 0.00 C ATOM 2156 CG1 ILE A 135 0.436 10.668 -13.398 1.00 0.00 C ATOM 2157 CG2 ILE A 135 -0.339 11.049 -15.753 1.00 0.00 C ATOM 2158 CD1 ILE A 135 0.792 11.453 -12.155 1.00 0.00 C ATOM 0 H ILE A 135 2.899 12.382 -13.699 1.00 0.00 H new ATOM 0 HA ILE A 135 2.228 10.094 -15.394 1.00 0.00 H new ATOM 0 HB ILE A 135 0.587 12.500 -14.494 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.615 10.385 -13.350 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.015 9.744 -13.413 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -1.342 11.246 -15.374 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -0.170 11.636 -16.656 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -0.241 9.989 -15.986 1.00 0.00 H new ATOM 0 HD11 ILE A 135 0.588 10.848 -11.272 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.850 11.714 -12.180 1.00 0.00 H new ATOM 0 HD13 ILE A 135 0.195 12.364 -12.116 1.00 0.00 H new ATOM 2170 N SER A 136 2.120 11.231 -17.637 1.00 0.00 N ATOM 2171 CA SER A 136 2.289 11.839 -18.952 1.00 0.00 C ATOM 2172 C SER A 136 1.107 12.744 -19.288 1.00 0.00 C ATOM 2173 O SER A 136 0.488 12.609 -20.342 1.00 0.00 O ATOM 2174 CB SER A 136 2.437 10.756 -20.022 1.00 0.00 C ATOM 2175 OG SER A 136 3.166 11.238 -21.138 1.00 0.00 O ATOM 0 H SER A 136 1.838 10.251 -17.659 1.00 0.00 H new ATOM 0 HA SER A 136 3.194 12.446 -18.931 1.00 0.00 H new ATOM 0 HB2 SER A 136 2.945 9.889 -19.599 1.00 0.00 H new ATOM 0 HB3 SER A 136 1.451 10.422 -20.345 1.00 0.00 H new ATOM 0 HG SER A 136 3.248 10.527 -21.807 1.00 0.00 H new ATOM 2181 N GLY A 137 0.801 13.668 -18.382 1.00 0.00 N ATOM 2182 CA GLY A 137 -0.305 14.582 -18.599 1.00 0.00 C ATOM 2183 C GLY A 137 -0.375 15.668 -17.545 1.00 0.00 C ATOM 2184 O GLY A 137 0.559 15.871 -16.768 1.00 0.00 O ATOM 0 H GLY A 137 1.299 13.800 -17.502 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -0.205 15.041 -19.583 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.240 14.022 -18.602 1.00 0.00 H new ATOM 2188 N PRO A 138 -1.504 16.391 -17.509 1.00 0.00 N ATOM 2189 CA PRO A 138 -1.719 17.476 -16.546 1.00 0.00 C ATOM 2190 C PRO A 138 -1.887 16.962 -15.121 1.00 0.00 C ATOM 2191 O PRO A 138 -1.637 17.685 -14.156 1.00 0.00 O ATOM 2192 CB PRO A 138 -3.013 18.132 -17.034 1.00 0.00 C ATOM 2193 CG PRO A 138 -3.728 17.054 -17.775 1.00 0.00 C ATOM 2194 CD PRO A 138 -2.658 16.205 -18.404 1.00 0.00 C ATOM 0 HA PRO A 138 -0.869 18.157 -16.503 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -3.609 18.501 -16.199 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -2.805 18.985 -17.679 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -4.349 16.463 -17.102 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -4.389 17.474 -18.533 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -2.957 15.158 -18.461 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -2.434 16.529 -19.421 1.00 0.00 H new ATOM 2202 N SER A 139 -2.310 15.708 -14.995 1.00 0.00 N ATOM 2203 CA SER A 139 -2.514 15.098 -13.686 1.00 0.00 C ATOM 2204 C SER A 139 -1.467 15.587 -12.690 1.00 0.00 C ATOM 2205 O SER A 139 -0.303 15.779 -13.040 1.00 0.00 O ATOM 2206 CB SER A 139 -2.457 13.573 -13.796 1.00 0.00 C ATOM 2207 OG SER A 139 -3.388 13.096 -14.752 1.00 0.00 O ATOM 0 H SER A 139 -2.518 15.095 -15.783 1.00 0.00 H new ATOM 0 HA SER A 139 -3.499 15.392 -13.325 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.451 13.263 -14.077 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.668 13.127 -12.824 1.00 0.00 H new ATOM 0 HG SER A 139 -3.331 12.119 -14.805 1.00 0.00 H new ATOM 2213 N SER A 140 -1.892 15.787 -11.446 1.00 0.00 N ATOM 2214 CA SER A 140 -0.993 16.257 -10.398 1.00 0.00 C ATOM 2215 C SER A 140 -1.205 15.471 -9.108 1.00 0.00 C ATOM 2216 O SER A 140 -2.337 15.229 -8.694 1.00 0.00 O ATOM 2217 CB SER A 140 -1.211 17.749 -10.141 1.00 0.00 C ATOM 2218 OG SER A 140 -2.559 18.015 -9.792 1.00 0.00 O ATOM 0 H SER A 140 -2.852 15.631 -11.140 1.00 0.00 H new ATOM 0 HA SER A 140 0.032 16.100 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 140 -0.552 18.083 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 140 -0.944 18.318 -11.032 1.00 0.00 H new ATOM 0 HG SER A 140 -2.672 18.975 -9.631 1.00 0.00 H new ATOM 2224 N GLY A 141 -0.104 15.075 -8.476 1.00 0.00 N ATOM 2225 CA GLY A 141 -0.189 14.320 -7.239 1.00 0.00 C ATOM 2226 C GLY A 141 1.133 14.270 -6.499 1.00 0.00 C ATOM 2227 O GLY A 141 2.116 13.789 -7.060 1.00 0.00 O ATOM 0 H GLY A 141 0.845 15.264 -8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -0.946 14.768 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.518 13.304 -7.459 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.215 -8.991 4.134 1.00 0.00 ZN