USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 45 LYS NZ :NH3+ 151:sc= 1.69 (180deg=0.612) USER MOD Set 1.2: A 59 MET CE :methyl 137:sc= -0.147 (180deg=-0.74) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.117 X(o=1.2,f=1.1) USER MOD Set 2.2: A 76 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.1) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.32 (180deg=1.23) USER MOD Single : A 29 GLN : amide:sc= 0.162 X(o=0.16,f=-0.15) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -104:sc= 1.23 USER MOD Single : A 35 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-4.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= 1.22 (180deg=-9.08e-05) USER MOD Single : A 40 MET CE :methyl 158:sc= -0.145 (180deg=-0.668) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -122:sc= -0.0143 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 1.19 (180deg=1.12) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 2.45 (180deg=1.94) USER MOD Single : A 50 SER OG : rot 64:sc= 1.27 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 79:sc= 1.17 USER MOD Single : A 53 GLN : amide:sc= -0.0349 K(o=-0.035,f=-1.7!) USER MOD Single : A 55 GLN : amide:sc= -0.394 K(o=-0.39,f=-4.8!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -79:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 75 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-8.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -174:sc= 1.21 USER MOD Single : A 92 GLN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0029 K(o=-0.0029,f=-0.79) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.183 USER MOD Single : B 357 ASN : amide:sc= -0.402 K(o=-0.4,f=1.1) USER MOD Single : B 358 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.6!) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot -140:sc= -0.822 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 14.398 -5.686 -1.743 1.00 10.00 N ATOM 2 CA TYR A 21 13.498 -4.583 -1.333 1.00 10.00 C ATOM 3 C TYR A 21 12.616 -5.027 -0.171 1.00 10.00 C ATOM 4 O TYR A 21 12.863 -6.070 0.433 1.00 10.00 O ATOM 5 CB TYR A 21 12.631 -4.137 -2.517 1.00 10.00 C ATOM 6 CG TYR A 21 13.395 -3.402 -3.596 1.00 10.00 C ATOM 7 CD1 TYR A 21 13.950 -2.153 -3.350 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.553 -3.954 -4.861 1.00 10.00 C ATOM 9 CE1 TYR A 21 14.648 -1.475 -4.333 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.249 -3.283 -5.849 1.00 10.00 C ATOM 11 CZ TYR A 21 14.792 -2.043 -5.580 1.00 10.00 C ATOM 12 OH TYR A 21 15.483 -1.370 -6.563 1.00 10.00 O ATOM 0 HA TYR A 21 14.106 -3.739 -1.008 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.155 -5.014 -2.956 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.833 -3.493 -2.148 1.00 10.00 H new ATOM 0 HD1 TYR A 21 13.835 -1.704 -2.375 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.125 -4.922 -5.076 1.00 10.00 H new ATOM 0 HE1 TYR A 21 15.078 -0.506 -4.124 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.367 -3.727 -6.826 1.00 10.00 H new ATOM 0 HH TYR A 21 15.494 -1.908 -7.382 1.00 10.00 H new ATOM 22 N ILE A 22 11.598 -4.236 0.144 1.00 10.00 N ATOM 23 CA ILE A 22 10.688 -4.555 1.238 1.00 10.00 C ATOM 24 C ILE A 22 9.318 -4.934 0.689 1.00 10.00 C ATOM 25 O ILE A 22 8.818 -4.297 -0.238 1.00 10.00 O ATOM 26 CB ILE A 22 10.536 -3.360 2.211 1.00 10.00 C ATOM 27 CG1 ILE A 22 11.908 -2.817 2.626 1.00 10.00 C ATOM 28 CG2 ILE A 22 9.732 -3.762 3.439 1.00 10.00 C ATOM 29 CD1 ILE A 22 12.743 -3.791 3.439 1.00 10.00 C ATOM 0 H ILE A 22 11.381 -3.367 -0.344 1.00 10.00 H new ATOM 0 HA ILE A 22 11.112 -5.397 1.785 1.00 10.00 H new ATOM 0 HB ILE A 22 9.997 -2.569 1.690 1.00 10.00 H new ATOM 0 HG12 ILE A 22 12.463 -2.540 1.730 1.00 10.00 H new ATOM 0 HG13 ILE A 22 11.765 -1.906 3.207 1.00 10.00 H new ATOM 0 HG21 ILE A 22 9.638 -2.907 4.108 1.00 10.00 H new ATOM 0 HG22 ILE A 22 8.740 -4.093 3.132 1.00 10.00 H new ATOM 0 HG23 ILE A 22 10.241 -4.574 3.957 1.00 10.00 H new ATOM 0 HD11 ILE A 22 13.698 -3.329 3.692 1.00 10.00 H new ATOM 0 HD12 ILE A 22 12.211 -4.050 4.355 1.00 10.00 H new ATOM 0 HD13 ILE A 22 12.920 -4.694 2.855 1.00 10.00 H new ATOM 41 N LYS A 23 8.721 -5.979 1.242 1.00 10.00 N ATOM 42 CA LYS A 23 7.412 -6.425 0.796 1.00 10.00 C ATOM 43 C LYS A 23 6.375 -6.263 1.902 1.00 10.00 C ATOM 44 O LYS A 23 6.576 -6.702 3.036 1.00 10.00 O ATOM 45 CB LYS A 23 7.474 -7.883 0.340 1.00 10.00 C ATOM 46 CG LYS A 23 8.317 -8.104 -0.909 1.00 10.00 C ATOM 47 CD LYS A 23 9.430 -9.113 -0.663 1.00 10.00 C ATOM 48 CE LYS A 23 8.877 -10.467 -0.246 1.00 10.00 C ATOM 49 NZ LYS A 23 9.513 -10.965 1.000 1.00 10.00 N ATOM 0 H LYS A 23 9.122 -6.532 1.999 1.00 10.00 H new ATOM 0 HA LYS A 23 7.112 -5.804 -0.048 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.877 -8.490 1.151 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.461 -8.237 0.150 1.00 10.00 H new ATOM 0 HG2 LYS A 23 7.680 -8.455 -1.721 1.00 10.00 H new ATOM 0 HG3 LYS A 23 8.749 -7.156 -1.229 1.00 10.00 H new ATOM 0 HD2 LYS A 23 10.026 -9.226 -1.569 1.00 10.00 H new ATOM 0 HD3 LYS A 23 10.097 -8.737 0.113 1.00 10.00 H new ATOM 0 HE2 LYS A 23 7.800 -10.389 -0.098 1.00 10.00 H new ATOM 0 HE3 LYS A 23 9.037 -11.187 -1.048 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 9.379 -11.994 1.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 10.530 -10.749 0.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 9.076 -10.501 1.822 1.00 10.00 H new ATOM 63 N LEU A 24 5.270 -5.620 1.561 1.00 10.00 N ATOM 64 CA LEU A 24 4.194 -5.391 2.510 1.00 10.00 C ATOM 65 C LEU A 24 2.984 -6.236 2.142 1.00 10.00 C ATOM 66 O LEU A 24 2.708 -6.456 0.960 1.00 10.00 O ATOM 67 CB LEU A 24 3.806 -3.909 2.532 1.00 10.00 C ATOM 68 CG LEU A 24 4.956 -2.934 2.800 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.467 -1.496 2.703 1.00 10.00 C ATOM 70 CD2 LEU A 24 5.573 -3.192 4.165 1.00 10.00 C ATOM 0 H LEU A 24 5.095 -5.246 0.628 1.00 10.00 H new ATOM 0 HA LEU A 24 4.541 -5.677 3.503 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.352 -3.655 1.574 1.00 10.00 H new ATOM 0 HB3 LEU A 24 3.042 -3.762 3.295 1.00 10.00 H new ATOM 0 HG LEU A 24 5.723 -3.093 2.042 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.297 -0.816 2.896 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.072 -1.313 1.704 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.681 -1.328 3.440 1.00 10.00 H new ATOM 0 HD21 LEU A 24 6.388 -2.488 4.335 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.815 -3.063 4.937 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.959 -4.211 4.203 1.00 10.00 H new ATOM 82 N LYS A 25 2.266 -6.706 3.152 1.00 10.00 N ATOM 83 CA LYS A 25 1.088 -7.530 2.933 1.00 10.00 C ATOM 84 C LYS A 25 -0.172 -6.683 2.951 1.00 10.00 C ATOM 85 O LYS A 25 -0.603 -6.216 4.009 1.00 10.00 O ATOM 86 CB LYS A 25 0.980 -8.616 4.002 1.00 10.00 C ATOM 87 CG LYS A 25 2.241 -9.444 4.172 1.00 10.00 C ATOM 88 CD LYS A 25 2.092 -10.451 5.300 1.00 10.00 C ATOM 89 CE LYS A 25 0.940 -11.408 5.043 1.00 10.00 C ATOM 90 NZ LYS A 25 0.891 -12.503 6.043 1.00 10.00 N ATOM 0 H LYS A 25 2.480 -6.530 4.134 1.00 10.00 H new ATOM 0 HA LYS A 25 1.191 -7.999 1.955 1.00 10.00 H new ATOM 0 HB2 LYS A 25 0.733 -8.149 4.956 1.00 10.00 H new ATOM 0 HB3 LYS A 25 0.153 -9.280 3.749 1.00 10.00 H new ATOM 0 HG2 LYS A 25 2.463 -9.967 3.242 1.00 10.00 H new ATOM 0 HG3 LYS A 25 3.086 -8.786 4.378 1.00 10.00 H new ATOM 0 HD2 LYS A 25 3.018 -11.016 5.410 1.00 10.00 H new ATOM 0 HD3 LYS A 25 1.926 -9.924 6.240 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -0.000 -10.857 5.063 1.00 10.00 H new ATOM 0 HE3 LYS A 25 1.039 -11.834 4.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 0.071 -13.113 5.850 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 1.763 -13.067 5.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 0.805 -12.098 6.997 1.00 10.00 H new ATOM 104 N VAL A 26 -0.756 -6.485 1.782 1.00 10.00 N ATOM 105 CA VAL A 26 -1.975 -5.701 1.669 1.00 10.00 C ATOM 106 C VAL A 26 -3.187 -6.609 1.826 1.00 10.00 C ATOM 107 O VAL A 26 -3.367 -7.555 1.056 1.00 10.00 O ATOM 108 CB VAL A 26 -2.064 -4.953 0.321 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.108 -3.849 0.393 1.00 10.00 C ATOM 110 CG2 VAL A 26 -0.710 -4.387 -0.076 1.00 10.00 C ATOM 0 H VAL A 26 -0.407 -6.856 0.898 1.00 10.00 H new ATOM 0 HA VAL A 26 -1.958 -4.954 2.463 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.368 -5.666 -0.445 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.158 -3.332 -0.565 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.081 -4.283 0.622 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -2.834 -3.140 1.174 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.799 -3.865 -1.029 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.368 -3.690 0.689 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.010 -5.200 -0.174 1.00 10.00 H new ATOM 120 N ILE A 27 -4.000 -6.328 2.830 1.00 10.00 N ATOM 121 CA ILE A 27 -5.187 -7.121 3.103 1.00 10.00 C ATOM 122 C ILE A 27 -6.417 -6.507 2.441 1.00 10.00 C ATOM 123 O ILE A 27 -6.852 -5.412 2.810 1.00 10.00 O ATOM 124 CB ILE A 27 -5.436 -7.251 4.623 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.161 -7.708 5.344 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.583 -8.214 4.897 1.00 10.00 C ATOM 127 CD1 ILE A 27 -3.695 -9.100 4.962 1.00 10.00 C ATOM 0 H ILE A 27 -3.858 -5.550 3.474 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.014 -8.114 2.687 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.713 -6.270 5.010 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -3.362 -6.998 5.130 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.335 -7.678 6.420 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.743 -8.292 5.972 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -7.491 -7.843 4.421 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.337 -9.197 4.494 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -2.789 -9.345 5.516 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -4.474 -9.823 5.202 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -3.486 -9.133 3.893 1.00 10.00 H new ATOM 139 N GLY A 28 -6.954 -7.204 1.448 1.00 10.00 N ATOM 140 CA GLY A 28 -8.134 -6.726 0.756 1.00 10.00 C ATOM 141 C GLY A 28 -9.406 -7.262 1.382 1.00 10.00 C ATOM 142 O GLY A 28 -9.351 -8.098 2.286 1.00 10.00 O ATOM 0 H GLY A 28 -6.591 -8.095 1.109 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.150 -5.636 0.774 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -8.089 -7.026 -0.291 1.00 10.00 H new ATOM 146 N GLN A 29 -10.554 -6.803 0.893 1.00 10.00 N ATOM 147 CA GLN A 29 -11.846 -7.238 1.422 1.00 10.00 C ATOM 148 C GLN A 29 -12.090 -8.715 1.122 1.00 10.00 C ATOM 149 O GLN A 29 -12.835 -9.391 1.832 1.00 10.00 O ATOM 150 CB GLN A 29 -12.977 -6.382 0.843 1.00 10.00 C ATOM 151 CG GLN A 29 -14.342 -6.664 1.457 1.00 10.00 C ATOM 152 CD GLN A 29 -14.368 -6.446 2.959 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.610 -5.338 3.433 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.131 -7.504 3.718 1.00 10.00 N ATOM 0 H GLN A 29 -10.618 -6.129 0.130 1.00 10.00 H new ATOM 0 HA GLN A 29 -11.829 -7.109 2.504 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.734 -5.330 0.990 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.032 -6.550 -0.233 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.086 -6.020 0.988 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -14.628 -7.693 1.239 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.934 -8.407 3.287 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.145 -7.416 4.734 1.00 10.00 H new ATOM 163 N ASP A 30 -11.440 -9.217 0.077 1.00 10.00 N ATOM 164 CA ASP A 30 -11.578 -10.617 -0.313 1.00 10.00 C ATOM 165 C ASP A 30 -10.682 -11.511 0.544 1.00 10.00 C ATOM 166 O ASP A 30 -10.528 -12.699 0.259 1.00 10.00 O ATOM 167 CB ASP A 30 -11.241 -10.806 -1.801 1.00 10.00 C ATOM 168 CG ASP A 30 -9.765 -10.614 -2.110 1.00 10.00 C ATOM 169 OD1 ASP A 30 -9.230 -9.521 -1.828 1.00 10.00 O ATOM 170 OD2 ASP A 30 -9.136 -11.550 -2.652 1.00 10.00 O ATOM 0 H ASP A 30 -10.812 -8.675 -0.516 1.00 10.00 H new ATOM 0 HA ASP A 30 -12.616 -10.907 -0.151 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -11.543 -11.806 -2.111 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -11.824 -10.099 -2.392 1.00 10.00 H new ATOM 175 N SER A 31 -10.100 -10.923 1.592 1.00 10.00 N ATOM 176 CA SER A 31 -9.219 -11.637 2.510 1.00 10.00 C ATOM 177 C SER A 31 -7.986 -12.155 1.780 1.00 10.00 C ATOM 178 O SER A 31 -7.629 -13.331 1.875 1.00 10.00 O ATOM 179 CB SER A 31 -9.971 -12.784 3.191 1.00 10.00 C ATOM 180 OG SER A 31 -11.096 -12.296 3.911 1.00 10.00 O ATOM 0 H SER A 31 -10.228 -9.938 1.825 1.00 10.00 H new ATOM 0 HA SER A 31 -8.887 -10.941 3.280 1.00 10.00 H new ATOM 0 HB2 SER A 31 -10.298 -13.505 2.442 1.00 10.00 H new ATOM 0 HB3 SER A 31 -9.301 -13.311 3.870 1.00 10.00 H new ATOM 0 HG SER A 31 -11.562 -13.046 4.336 1.00 10.00 H new ATOM 186 N SER A 32 -7.343 -11.265 1.049 1.00 10.00 N ATOM 187 CA SER A 32 -6.151 -11.609 0.298 1.00 10.00 C ATOM 188 C SER A 32 -4.890 -11.227 1.071 1.00 10.00 C ATOM 189 O SER A 32 -4.957 -10.503 2.069 1.00 10.00 O ATOM 190 CB SER A 32 -6.182 -10.892 -1.046 1.00 10.00 C ATOM 191 OG SER A 32 -6.784 -9.613 -0.915 1.00 10.00 O ATOM 0 H SER A 32 -7.629 -10.290 0.959 1.00 10.00 H new ATOM 0 HA SER A 32 -6.132 -12.687 0.138 1.00 10.00 H new ATOM 0 HB2 SER A 32 -5.168 -10.785 -1.431 1.00 10.00 H new ATOM 0 HB3 SER A 32 -6.737 -11.489 -1.770 1.00 10.00 H new ATOM 0 HG SER A 32 -7.695 -9.642 -1.274 1.00 10.00 H new ATOM 197 N GLU A 33 -3.750 -11.727 0.614 1.00 10.00 N ATOM 198 CA GLU A 33 -2.467 -11.429 1.236 1.00 10.00 C ATOM 199 C GLU A 33 -1.494 -10.960 0.161 1.00 10.00 C ATOM 200 O GLU A 33 -0.448 -11.572 -0.068 1.00 10.00 O ATOM 201 CB GLU A 33 -1.912 -12.662 1.954 1.00 10.00 C ATOM 202 CG GLU A 33 -2.564 -12.949 3.296 1.00 10.00 C ATOM 203 CD GLU A 33 -1.797 -13.977 4.101 1.00 10.00 C ATOM 204 OE1 GLU A 33 -1.357 -13.652 5.223 1.00 10.00 O ATOM 205 OE2 GLU A 33 -1.617 -15.109 3.613 1.00 10.00 O ATOM 0 H GLU A 33 -3.688 -12.347 -0.194 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.602 -10.643 1.979 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.038 -13.531 1.309 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -0.841 -12.529 2.105 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -2.636 -12.024 3.867 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.582 -13.304 3.134 1.00 10.00 H new ATOM 212 N ILE A 34 -1.866 -9.870 -0.498 1.00 10.00 N ATOM 213 CA ILE A 34 -1.077 -9.297 -1.584 1.00 10.00 C ATOM 214 C ILE A 34 0.360 -8.997 -1.146 1.00 10.00 C ATOM 215 O ILE A 34 0.593 -8.490 -0.048 1.00 10.00 O ATOM 216 CB ILE A 34 -1.732 -8.004 -2.113 1.00 10.00 C ATOM 217 CG1 ILE A 34 -3.226 -8.225 -2.395 1.00 10.00 C ATOM 218 CG2 ILE A 34 -1.025 -7.521 -3.368 1.00 10.00 C ATOM 219 CD1 ILE A 34 -3.509 -9.303 -3.424 1.00 10.00 C ATOM 0 H ILE A 34 -2.724 -9.357 -0.295 1.00 10.00 H new ATOM 0 HA ILE A 34 -1.046 -10.040 -2.381 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.637 -7.238 -1.344 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.726 -8.488 -1.463 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -3.663 -7.287 -2.738 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -1.502 -6.608 -3.726 1.00 10.00 H new ATOM 0 HG22 ILE A 34 0.022 -7.319 -3.141 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -1.087 -8.289 -4.139 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -4.586 -9.397 -3.566 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -3.040 -9.034 -4.371 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -3.105 -10.253 -3.076 1.00 10.00 H new ATOM 231 N HIS A 35 1.312 -9.317 -2.014 1.00 10.00 N ATOM 232 CA HIS A 35 2.721 -9.092 -1.732 1.00 10.00 C ATOM 233 C HIS A 35 3.228 -7.881 -2.508 1.00 10.00 C ATOM 234 O HIS A 35 3.776 -8.014 -3.602 1.00 10.00 O ATOM 235 CB HIS A 35 3.536 -10.331 -2.106 1.00 10.00 C ATOM 236 CG HIS A 35 4.419 -10.827 -1.003 1.00 10.00 C ATOM 237 ND1 HIS A 35 5.007 -12.066 -1.063 1.00 10.00 N ATOM 238 CD2 HIS A 35 4.768 -10.226 0.159 1.00 10.00 C ATOM 239 CE1 HIS A 35 5.694 -12.191 0.059 1.00 10.00 C ATOM 240 NE2 HIS A 35 5.580 -11.103 0.833 1.00 10.00 N ATOM 0 H HIS A 35 1.130 -9.736 -2.926 1.00 10.00 H new ATOM 0 HA HIS A 35 2.837 -8.900 -0.665 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.854 -11.129 -2.400 1.00 10.00 H new ATOM 0 HB3 HIS A 35 4.151 -10.101 -2.976 1.00 10.00 H new ATOM 0 HD2 HIS A 35 4.465 -9.244 0.492 1.00 10.00 H new ATOM 0 HE1 HIS A 35 6.276 -13.063 0.320 1.00 10.00 H new ATOM 0 HE2 HIS A 35 6.012 -10.956 1.745 1.00 10.00 H new ATOM 248 N PHE A 36 3.035 -6.700 -1.947 1.00 10.00 N ATOM 249 CA PHE A 36 3.467 -5.472 -2.601 1.00 10.00 C ATOM 250 C PHE A 36 4.945 -5.206 -2.331 1.00 10.00 C ATOM 251 O PHE A 36 5.346 -5.001 -1.185 1.00 10.00 O ATOM 252 CB PHE A 36 2.626 -4.288 -2.110 1.00 10.00 C ATOM 253 CG PHE A 36 2.484 -3.174 -3.112 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.455 -2.950 -4.075 1.00 10.00 C ATOM 255 CD2 PHE A 36 1.373 -2.347 -3.086 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.321 -1.926 -4.992 1.00 10.00 C ATOM 257 CE2 PHE A 36 1.234 -1.321 -4.000 1.00 10.00 C ATOM 258 CZ PHE A 36 2.209 -1.110 -4.954 1.00 10.00 C ATOM 0 H PHE A 36 2.584 -6.563 -1.043 1.00 10.00 H new ATOM 0 HA PHE A 36 3.327 -5.590 -3.675 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.633 -4.649 -1.842 1.00 10.00 H new ATOM 0 HB3 PHE A 36 3.077 -3.889 -1.201 1.00 10.00 H new ATOM 0 HD1 PHE A 36 4.328 -3.585 -4.109 1.00 10.00 H new ATOM 0 HD2 PHE A 36 0.606 -2.506 -2.342 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.085 -1.764 -5.738 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.363 -0.684 -3.968 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.102 -0.308 -5.669 1.00 10.00 H new ATOM 268 N LYS A 37 5.751 -5.217 -3.387 1.00 10.00 N ATOM 269 CA LYS A 37 7.174 -4.956 -3.253 1.00 10.00 C ATOM 270 C LYS A 37 7.419 -3.458 -3.384 1.00 10.00 C ATOM 271 O LYS A 37 7.331 -2.896 -4.476 1.00 10.00 O ATOM 272 CB LYS A 37 7.970 -5.729 -4.310 1.00 10.00 C ATOM 273 CG LYS A 37 9.453 -5.851 -3.988 1.00 10.00 C ATOM 274 CD LYS A 37 10.208 -6.601 -5.077 1.00 10.00 C ATOM 275 CE LYS A 37 9.735 -8.043 -5.203 1.00 10.00 C ATOM 276 NZ LYS A 37 10.579 -8.827 -6.146 1.00 10.00 N ATOM 0 H LYS A 37 5.442 -5.403 -4.341 1.00 10.00 H new ATOM 0 HA LYS A 37 7.512 -5.294 -2.273 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.546 -6.728 -4.414 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.856 -5.233 -5.274 1.00 10.00 H new ATOM 0 HG2 LYS A 37 9.882 -4.856 -3.868 1.00 10.00 H new ATOM 0 HG3 LYS A 37 9.577 -6.369 -3.037 1.00 10.00 H new ATOM 0 HD2 LYS A 37 10.074 -6.090 -6.030 1.00 10.00 H new ATOM 0 HD3 LYS A 37 11.275 -6.587 -4.855 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.752 -8.517 -4.222 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.700 -8.056 -5.546 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.223 -9.802 -6.202 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.543 -8.390 -7.089 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 11.562 -8.837 -5.806 1.00 10.00 H new ATOM 290 N VAL A 38 7.711 -2.811 -2.266 1.00 10.00 N ATOM 291 CA VAL A 38 7.931 -1.375 -2.258 1.00 10.00 C ATOM 292 C VAL A 38 9.409 -1.024 -2.357 1.00 10.00 C ATOM 293 O VAL A 38 10.287 -1.800 -1.961 1.00 10.00 O ATOM 294 CB VAL A 38 7.330 -0.712 -0.995 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.849 -1.032 -0.878 1.00 10.00 C ATOM 296 CG2 VAL A 38 8.076 -1.146 0.262 1.00 10.00 C ATOM 0 H VAL A 38 7.801 -3.258 -1.354 1.00 10.00 H new ATOM 0 HA VAL A 38 7.421 -0.985 -3.139 1.00 10.00 H new ATOM 0 HB VAL A 38 7.443 0.367 -1.095 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.444 -0.558 0.016 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.325 -0.657 -1.757 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.714 -2.111 -0.808 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.632 -0.665 1.133 1.00 10.00 H new ATOM 0 HG22 VAL A 38 8.007 -2.228 0.371 1.00 10.00 H new ATOM 0 HG23 VAL A 38 9.124 -0.856 0.182 1.00 10.00 H new ATOM 306 N LYS A 39 9.672 0.154 -2.896 1.00 10.00 N ATOM 307 CA LYS A 39 11.023 0.651 -3.058 1.00 10.00 C ATOM 308 C LYS A 39 11.425 1.425 -1.809 1.00 10.00 C ATOM 309 O LYS A 39 10.891 2.504 -1.540 1.00 10.00 O ATOM 310 CB LYS A 39 11.095 1.550 -4.294 1.00 10.00 C ATOM 311 CG LYS A 39 12.465 1.619 -4.940 1.00 10.00 C ATOM 312 CD LYS A 39 12.449 2.556 -6.138 1.00 10.00 C ATOM 313 CE LYS A 39 13.839 2.780 -6.707 1.00 10.00 C ATOM 314 NZ LYS A 39 13.854 3.884 -7.703 1.00 10.00 N ATOM 0 H LYS A 39 8.952 0.792 -3.234 1.00 10.00 H new ATOM 0 HA LYS A 39 11.712 -0.183 -3.195 1.00 10.00 H new ATOM 0 HB2 LYS A 39 10.377 1.191 -5.031 1.00 10.00 H new ATOM 0 HB3 LYS A 39 10.788 2.558 -4.014 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.199 1.965 -4.212 1.00 10.00 H new ATOM 0 HG3 LYS A 39 12.774 0.623 -5.256 1.00 10.00 H new ATOM 0 HD2 LYS A 39 11.803 2.142 -6.912 1.00 10.00 H new ATOM 0 HD3 LYS A 39 12.020 3.514 -5.843 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.531 3.011 -5.897 1.00 10.00 H new ATOM 0 HE3 LYS A 39 14.193 1.862 -7.176 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 14.716 4.452 -7.578 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 13.838 3.485 -8.663 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 13.018 4.488 -7.565 1.00 10.00 H new ATOM 328 N MET A 40 12.355 0.867 -1.044 1.00 10.00 N ATOM 329 CA MET A 40 12.810 1.497 0.191 1.00 10.00 C ATOM 330 C MET A 40 13.705 2.701 -0.096 1.00 10.00 C ATOM 331 O MET A 40 14.925 2.645 0.074 1.00 10.00 O ATOM 332 CB MET A 40 13.541 0.480 1.074 1.00 10.00 C ATOM 333 CG MET A 40 13.722 0.941 2.513 1.00 10.00 C ATOM 334 SD MET A 40 12.186 1.537 3.249 1.00 10.00 S ATOM 335 CE MET A 40 12.465 1.147 4.976 1.00 10.00 C ATOM 0 H MET A 40 12.810 -0.021 -1.256 1.00 10.00 H new ATOM 0 HA MET A 40 11.931 1.856 0.727 1.00 10.00 H new ATOM 0 HB2 MET A 40 12.986 -0.458 1.069 1.00 10.00 H new ATOM 0 HB3 MET A 40 14.520 0.273 0.642 1.00 10.00 H new ATOM 0 HG2 MET A 40 14.110 0.115 3.109 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.468 1.735 2.545 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.827 1.774 5.598 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.228 0.098 5.155 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.510 1.331 5.226 1.00 10.00 H new ATOM 345 N THR A 41 13.069 3.780 -0.538 1.00 10.00 N ATOM 346 CA THR A 41 13.747 5.024 -0.864 1.00 10.00 C ATOM 347 C THR A 41 12.753 6.015 -1.472 1.00 10.00 C ATOM 348 O THR A 41 13.010 7.217 -1.522 1.00 10.00 O ATOM 349 CB THR A 41 14.926 4.804 -1.845 1.00 10.00 C ATOM 350 OG1 THR A 41 15.755 5.973 -1.893 1.00 10.00 O ATOM 351 CG2 THR A 41 14.435 4.476 -3.249 1.00 10.00 C ATOM 0 H THR A 41 12.060 3.814 -0.681 1.00 10.00 H new ATOM 0 HA THR A 41 14.155 5.426 0.063 1.00 10.00 H new ATOM 0 HB THR A 41 15.503 3.956 -1.477 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.497 5.822 -2.515 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.290 4.329 -3.908 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.837 3.565 -3.222 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.826 5.299 -3.623 1.00 10.00 H new ATOM 359 N THR A 42 11.621 5.494 -1.933 1.00 10.00 N ATOM 360 CA THR A 42 10.583 6.313 -2.537 1.00 10.00 C ATOM 361 C THR A 42 9.409 6.491 -1.574 1.00 10.00 C ATOM 362 O THR A 42 9.152 5.630 -0.728 1.00 10.00 O ATOM 363 CB THR A 42 10.086 5.668 -3.847 1.00 10.00 C ATOM 364 OG1 THR A 42 11.194 5.074 -4.540 1.00 10.00 O ATOM 365 CG2 THR A 42 9.412 6.691 -4.750 1.00 10.00 C ATOM 0 H THR A 42 11.400 4.499 -1.898 1.00 10.00 H new ATOM 0 HA THR A 42 11.008 7.292 -2.759 1.00 10.00 H new ATOM 0 HB THR A 42 9.351 4.905 -3.591 1.00 10.00 H new ATOM 0 HG1 THR A 42 11.265 5.462 -5.437 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.074 6.203 -5.664 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.556 7.125 -4.233 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.122 7.479 -5.001 1.00 10.00 H new ATOM 373 N HIS A 43 8.713 7.615 -1.698 1.00 10.00 N ATOM 374 CA HIS A 43 7.562 7.900 -0.848 1.00 10.00 C ATOM 375 C HIS A 43 6.397 6.976 -1.182 1.00 10.00 C ATOM 376 O HIS A 43 6.281 6.483 -2.307 1.00 10.00 O ATOM 377 CB HIS A 43 7.127 9.360 -0.995 1.00 10.00 C ATOM 378 CG HIS A 43 7.798 10.282 -0.029 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.874 11.048 -0.398 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.513 10.516 1.272 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.221 11.726 0.681 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.424 11.436 1.721 1.00 10.00 N ATOM 0 H HIS A 43 8.925 8.344 -2.379 1.00 10.00 H new ATOM 0 HA HIS A 43 7.861 7.725 0.185 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.339 9.694 -2.011 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.048 9.425 -0.857 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.719 10.064 1.848 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.043 12.426 0.721 1.00 10.00 H new ATOM 0 HE2 HIS A 43 8.485 11.825 2.662 1.00 10.00 H new ATOM 390 N LEU A 44 5.517 6.773 -0.208 1.00 10.00 N ATOM 391 CA LEU A 44 4.355 5.908 -0.381 1.00 10.00 C ATOM 392 C LEU A 44 3.304 6.564 -1.276 1.00 10.00 C ATOM 393 O LEU A 44 2.268 5.974 -1.568 1.00 10.00 O ATOM 394 CB LEU A 44 3.751 5.559 0.981 1.00 10.00 C ATOM 395 CG LEU A 44 4.581 4.591 1.830 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.131 4.636 3.282 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.473 3.175 1.284 1.00 10.00 C ATOM 0 H LEU A 44 5.587 7.199 0.716 1.00 10.00 H new ATOM 0 HA LEU A 44 4.685 4.991 -0.869 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.607 6.481 1.545 1.00 10.00 H new ATOM 0 HB3 LEU A 44 2.764 5.125 0.823 1.00 10.00 H new ATOM 0 HG LEU A 44 5.625 4.900 1.782 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.731 3.942 3.871 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.258 5.646 3.671 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.081 4.352 3.346 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.069 2.501 1.900 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.431 2.857 1.302 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.842 3.151 0.259 1.00 10.00 H new ATOM 409 N LYS A 45 3.592 7.786 -1.711 1.00 10.00 N ATOM 410 CA LYS A 45 2.699 8.539 -2.584 1.00 10.00 C ATOM 411 C LYS A 45 2.399 7.750 -3.854 1.00 10.00 C ATOM 412 O LYS A 45 1.237 7.476 -4.170 1.00 10.00 O ATOM 413 CB LYS A 45 3.345 9.886 -2.939 1.00 10.00 C ATOM 414 CG LYS A 45 2.711 10.598 -4.127 1.00 10.00 C ATOM 415 CD LYS A 45 1.291 11.046 -3.827 1.00 10.00 C ATOM 416 CE LYS A 45 0.672 11.766 -5.011 1.00 10.00 C ATOM 417 NZ LYS A 45 -0.792 11.965 -4.836 1.00 10.00 N ATOM 0 H LYS A 45 4.450 8.282 -1.469 1.00 10.00 H new ATOM 0 HA LYS A 45 1.759 8.715 -2.061 1.00 10.00 H new ATOM 0 HB2 LYS A 45 3.292 10.540 -2.069 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.402 9.723 -3.151 1.00 10.00 H new ATOM 0 HG2 LYS A 45 3.316 11.464 -4.396 1.00 10.00 H new ATOM 0 HG3 LYS A 45 2.707 9.932 -4.990 1.00 10.00 H new ATOM 0 HD2 LYS A 45 0.682 10.180 -3.568 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.292 11.705 -2.959 1.00 10.00 H new ATOM 0 HE2 LYS A 45 1.157 12.734 -5.141 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.854 11.193 -5.920 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.089 12.822 -5.345 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.302 11.142 -5.215 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -1.009 12.071 -3.825 1.00 10.00 H new ATOM 431 N LYS A 46 3.454 7.361 -4.557 1.00 10.00 N ATOM 432 CA LYS A 46 3.312 6.615 -5.797 1.00 10.00 C ATOM 433 C LYS A 46 2.736 5.232 -5.528 1.00 10.00 C ATOM 434 O LYS A 46 1.954 4.714 -6.321 1.00 10.00 O ATOM 435 CB LYS A 46 4.664 6.500 -6.509 1.00 10.00 C ATOM 436 CG LYS A 46 4.547 6.195 -7.996 1.00 10.00 C ATOM 437 CD LYS A 46 3.898 7.345 -8.751 1.00 10.00 C ATOM 438 CE LYS A 46 3.515 6.949 -10.168 1.00 10.00 C ATOM 439 NZ LYS A 46 2.622 7.955 -10.799 1.00 10.00 N ATOM 0 H LYS A 46 4.419 7.551 -4.288 1.00 10.00 H new ATOM 0 HA LYS A 46 2.622 7.155 -6.445 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.213 7.433 -6.380 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.251 5.716 -6.031 1.00 10.00 H new ATOM 0 HG2 LYS A 46 5.537 6.001 -8.408 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.960 5.288 -8.137 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.009 7.676 -8.214 1.00 10.00 H new ATOM 0 HD3 LYS A 46 4.584 8.191 -8.784 1.00 10.00 H new ATOM 0 HE2 LYS A 46 4.417 6.835 -10.770 1.00 10.00 H new ATOM 0 HE3 LYS A 46 3.017 5.980 -10.153 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.104 7.514 -11.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.945 8.309 -10.094 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 3.191 8.747 -11.160 1.00 10.00 H new ATOM 453 N LEU A 47 3.111 4.652 -4.394 1.00 10.00 N ATOM 454 CA LEU A 47 2.636 3.328 -4.009 1.00 10.00 C ATOM 455 C LEU A 47 1.112 3.318 -3.877 1.00 10.00 C ATOM 456 O LEU A 47 0.445 2.394 -4.344 1.00 10.00 O ATOM 457 CB LEU A 47 3.273 2.895 -2.680 1.00 10.00 C ATOM 458 CG LEU A 47 4.688 2.302 -2.766 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.719 1.104 -3.700 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.698 3.350 -3.210 1.00 10.00 C ATOM 0 H LEU A 47 3.747 5.081 -3.721 1.00 10.00 H new ATOM 0 HA LEU A 47 2.926 2.625 -4.790 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.304 3.760 -2.017 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.621 2.158 -2.212 1.00 10.00 H new ATOM 0 HG LEU A 47 4.966 1.966 -1.767 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.731 0.703 -3.743 1.00 10.00 H new ATOM 0 HD12 LEU A 47 4.040 0.336 -3.330 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.408 1.413 -4.698 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.690 2.901 -3.261 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.420 3.730 -4.193 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.709 4.172 -2.494 1.00 10.00 H new ATOM 472 N LYS A 48 0.574 4.367 -3.261 1.00 10.00 N ATOM 473 CA LYS A 48 -0.863 4.488 -3.046 1.00 10.00 C ATOM 474 C LYS A 48 -1.635 4.560 -4.362 1.00 10.00 C ATOM 475 O LYS A 48 -2.570 3.788 -4.580 1.00 10.00 O ATOM 476 CB LYS A 48 -1.173 5.726 -2.198 1.00 10.00 C ATOM 477 CG LYS A 48 -0.773 5.586 -0.738 1.00 10.00 C ATOM 478 CD LYS A 48 -0.964 6.890 0.027 1.00 10.00 C ATOM 479 CE LYS A 48 -2.436 7.192 0.267 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.632 8.488 0.973 1.00 10.00 N ATOM 0 H LYS A 48 1.118 5.151 -2.900 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.186 3.591 -2.517 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.657 6.586 -2.625 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.241 5.935 -2.254 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.367 4.800 -0.272 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.270 5.277 -0.675 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.444 6.830 0.983 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.511 7.709 -0.531 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.961 7.216 -0.688 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.880 6.388 0.855 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.627 8.779 0.894 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.382 8.378 1.977 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.024 9.213 0.542 1.00 10.00 H new ATOM 494 N GLU A 49 -1.238 5.474 -5.243 1.00 10.00 N ATOM 495 CA GLU A 49 -1.929 5.639 -6.520 1.00 10.00 C ATOM 496 C GLU A 49 -1.742 4.428 -7.432 1.00 10.00 C ATOM 497 O GLU A 49 -2.662 4.054 -8.159 1.00 10.00 O ATOM 498 CB GLU A 49 -1.488 6.925 -7.230 1.00 10.00 C ATOM 499 CG GLU A 49 0.014 7.139 -7.273 1.00 10.00 C ATOM 500 CD GLU A 49 0.385 8.493 -7.840 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.334 9.486 -7.089 1.00 10.00 O ATOM 502 OE2 GLU A 49 0.726 8.563 -9.043 1.00 10.00 O ATOM 0 H GLU A 49 -0.450 6.106 -5.100 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.993 5.720 -6.296 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.869 6.910 -8.251 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.949 7.777 -6.730 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.421 7.045 -6.266 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.473 6.356 -7.877 1.00 10.00 H new ATOM 509 N SER A 50 -0.569 3.806 -7.385 1.00 10.00 N ATOM 510 CA SER A 50 -0.300 2.635 -8.211 1.00 10.00 C ATOM 511 C SER A 50 -1.244 1.488 -7.844 1.00 10.00 C ATOM 512 O SER A 50 -1.746 0.778 -8.717 1.00 10.00 O ATOM 513 CB SER A 50 1.160 2.193 -8.063 1.00 10.00 C ATOM 514 OG SER A 50 2.047 3.217 -8.480 1.00 10.00 O ATOM 0 H SER A 50 0.207 4.091 -6.787 1.00 10.00 H new ATOM 0 HA SER A 50 -0.474 2.906 -9.252 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.361 1.934 -7.024 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.333 1.294 -8.655 1.00 10.00 H new ATOM 0 HG SER A 50 1.951 3.993 -7.889 1.00 10.00 H new ATOM 520 N TYR A 51 -1.504 1.324 -6.548 1.00 10.00 N ATOM 521 CA TYR A 51 -2.397 0.270 -6.085 1.00 10.00 C ATOM 522 C TYR A 51 -3.818 0.541 -6.558 1.00 10.00 C ATOM 523 O TYR A 51 -4.548 -0.382 -6.924 1.00 10.00 O ATOM 524 CB TYR A 51 -2.367 0.158 -4.560 1.00 10.00 C ATOM 525 CG TYR A 51 -2.970 -1.129 -4.043 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.287 -2.332 -4.163 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.226 -1.143 -3.448 1.00 10.00 C ATOM 528 CE1 TYR A 51 -2.835 -3.512 -3.701 1.00 10.00 C ATOM 529 CE2 TYR A 51 -4.779 -2.320 -2.982 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.082 -3.502 -3.114 1.00 10.00 C ATOM 531 OH TYR A 51 -4.630 -4.676 -2.653 1.00 10.00 O ATOM 0 H TYR A 51 -1.111 1.904 -5.807 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.053 -0.675 -6.506 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.335 0.231 -4.217 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.906 1.002 -4.130 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.311 -2.345 -4.625 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.778 -0.220 -3.349 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.289 -4.439 -3.799 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -5.753 -2.314 -2.516 1.00 10.00 H new ATOM 0 HH TYR A 51 -5.512 -4.496 -2.266 1.00 10.00 H new ATOM 541 N CYS A 52 -4.198 1.813 -6.568 1.00 10.00 N ATOM 542 CA CYS A 52 -5.529 2.206 -7.005 1.00 10.00 C ATOM 543 C CYS A 52 -5.732 1.828 -8.470 1.00 10.00 C ATOM 544 O CYS A 52 -6.742 1.227 -8.836 1.00 10.00 O ATOM 545 CB CYS A 52 -5.734 3.713 -6.817 1.00 10.00 C ATOM 546 SG CYS A 52 -5.425 4.306 -5.135 1.00 10.00 S ATOM 0 H CYS A 52 -3.602 2.589 -6.278 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.264 1.678 -6.397 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -5.076 4.245 -7.503 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.757 3.966 -7.096 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.144 4.422 -4.944 1.00 10.00 H new ATOM 552 N GLN A 53 -4.741 2.148 -9.297 1.00 10.00 N ATOM 553 CA GLN A 53 -4.800 1.845 -10.722 1.00 10.00 C ATOM 554 C GLN A 53 -4.823 0.335 -10.954 1.00 10.00 C ATOM 555 O GLN A 53 -5.482 -0.150 -11.875 1.00 10.00 O ATOM 556 CB GLN A 53 -3.609 2.476 -11.443 1.00 10.00 C ATOM 557 CG GLN A 53 -3.511 3.980 -11.241 1.00 10.00 C ATOM 558 CD GLN A 53 -2.151 4.537 -11.610 1.00 10.00 C ATOM 559 OE1 GLN A 53 -1.138 3.842 -11.535 1.00 10.00 O ATOM 560 NE2 GLN A 53 -2.110 5.801 -11.998 1.00 10.00 N ATOM 0 H GLN A 53 -3.885 2.619 -9.003 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.720 2.266 -11.127 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.690 2.008 -11.090 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.685 2.264 -12.509 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -4.275 4.473 -11.842 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.724 4.216 -10.198 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.970 6.347 -12.048 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -1.218 6.229 -12.247 1.00 10.00 H new ATOM 569 N ARG A 54 -4.118 -0.403 -10.103 1.00 10.00 N ATOM 570 CA ARG A 54 -4.060 -1.858 -10.204 1.00 10.00 C ATOM 571 C ARG A 54 -5.411 -2.477 -9.836 1.00 10.00 C ATOM 572 O ARG A 54 -5.758 -3.563 -10.308 1.00 10.00 O ATOM 573 CB ARG A 54 -2.928 -2.399 -9.309 1.00 10.00 C ATOM 574 CG ARG A 54 -3.335 -3.517 -8.353 1.00 10.00 C ATOM 575 CD ARG A 54 -2.956 -4.894 -8.884 1.00 10.00 C ATOM 576 NE ARG A 54 -3.388 -5.958 -7.974 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.688 -7.070 -7.725 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.559 -7.318 -8.378 1.00 10.00 N ATOM 579 NH2 ARG A 54 -3.135 -7.949 -6.836 1.00 10.00 N ATOM 0 H ARG A 54 -3.576 -0.015 -9.331 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.843 -2.138 -11.235 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.124 -2.764 -9.948 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -2.522 -1.573 -8.725 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.857 -3.358 -7.386 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.412 -3.477 -8.187 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.410 -5.045 -9.863 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.876 -4.948 -9.021 1.00 10.00 H new ATOM 0 HE ARG A 54 -4.283 -5.843 -7.498 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -1.218 -6.658 -9.077 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -1.032 -8.169 -8.181 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -4.011 -7.776 -6.344 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -2.602 -8.797 -6.645 1.00 10.00 H new ATOM 593 N GLN A 55 -6.170 -1.775 -8.998 1.00 10.00 N ATOM 594 CA GLN A 55 -7.483 -2.247 -8.576 1.00 10.00 C ATOM 595 C GLN A 55 -8.569 -1.714 -9.508 1.00 10.00 C ATOM 596 O GLN A 55 -9.719 -2.152 -9.448 1.00 10.00 O ATOM 597 CB GLN A 55 -7.776 -1.832 -7.129 1.00 10.00 C ATOM 598 CG GLN A 55 -6.911 -2.537 -6.095 1.00 10.00 C ATOM 599 CD GLN A 55 -6.955 -4.052 -6.218 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.121 -4.654 -6.894 1.00 10.00 O ATOM 601 NE2 GLN A 55 -7.928 -4.677 -5.570 1.00 10.00 N ATOM 0 H GLN A 55 -5.897 -0.877 -8.599 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.481 -3.336 -8.626 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.632 -0.756 -7.035 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.824 -2.034 -6.909 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.880 -2.199 -6.200 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.240 -2.249 -5.097 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.600 -4.142 -5.020 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.005 -5.693 -5.621 1.00 10.00 H new ATOM 610 N GLY A 56 -8.199 -0.767 -10.362 1.00 10.00 N ATOM 611 CA GLY A 56 -9.144 -0.196 -11.301 1.00 10.00 C ATOM 612 C GLY A 56 -9.993 0.908 -10.699 1.00 10.00 C ATOM 613 O GLY A 56 -11.186 1.008 -10.992 1.00 10.00 O ATOM 0 H GLY A 56 -7.256 -0.383 -10.420 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.600 0.200 -12.159 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.797 -0.985 -11.674 1.00 10.00 H new ATOM 617 N VAL A 57 -9.388 1.728 -9.851 1.00 10.00 N ATOM 618 CA VAL A 57 -10.089 2.837 -9.217 1.00 10.00 C ATOM 619 C VAL A 57 -9.177 4.055 -9.126 1.00 10.00 C ATOM 620 O VAL A 57 -7.956 3.913 -9.109 1.00 10.00 O ATOM 621 CB VAL A 57 -10.591 2.474 -7.799 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.889 1.681 -7.869 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.531 1.701 -7.028 1.00 10.00 C ATOM 0 H VAL A 57 -8.407 1.645 -9.585 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.956 3.063 -9.838 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.788 3.404 -7.266 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.222 1.438 -6.860 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.653 2.277 -8.369 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.723 0.760 -8.428 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.908 1.458 -6.035 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.292 0.781 -7.561 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.632 2.310 -6.935 1.00 10.00 H new ATOM 633 N PRO A 58 -9.750 5.267 -9.086 1.00 10.00 N ATOM 634 CA PRO A 58 -8.965 6.501 -8.979 1.00 10.00 C ATOM 635 C PRO A 58 -8.327 6.640 -7.601 1.00 10.00 C ATOM 636 O PRO A 58 -8.593 5.843 -6.701 1.00 10.00 O ATOM 637 CB PRO A 58 -10.005 7.601 -9.201 1.00 10.00 C ATOM 638 CG PRO A 58 -11.296 6.990 -8.782 1.00 10.00 C ATOM 639 CD PRO A 58 -11.199 5.536 -9.149 1.00 10.00 C ATOM 0 HA PRO A 58 -8.139 6.534 -9.690 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.776 8.488 -8.610 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.035 7.913 -10.245 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.457 7.113 -7.711 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.136 7.466 -9.288 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.756 4.907 -8.454 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.601 5.344 -10.144 1.00 10.00 H new ATOM 647 N MET A 59 -7.489 7.650 -7.427 1.00 10.00 N ATOM 648 CA MET A 59 -6.837 7.861 -6.145 1.00 10.00 C ATOM 649 C MET A 59 -7.800 8.525 -5.166 1.00 10.00 C ATOM 650 O MET A 59 -8.748 9.191 -5.582 1.00 10.00 O ATOM 651 CB MET A 59 -5.579 8.715 -6.303 1.00 10.00 C ATOM 652 CG MET A 59 -4.561 8.490 -5.198 1.00 10.00 C ATOM 653 SD MET A 59 -3.257 9.733 -5.168 1.00 10.00 S ATOM 654 CE MET A 59 -2.122 8.973 -4.009 1.00 10.00 C ATOM 0 H MET A 59 -7.247 8.329 -8.148 1.00 10.00 H new ATOM 0 HA MET A 59 -6.543 6.888 -5.751 1.00 10.00 H new ATOM 0 HB2 MET A 59 -5.116 8.494 -7.265 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.862 9.768 -6.319 1.00 10.00 H new ATOM 0 HG2 MET A 59 -5.074 8.488 -4.236 1.00 10.00 H new ATOM 0 HG3 MET A 59 -4.112 7.505 -5.322 1.00 10.00 H new ATOM 0 HE1 MET A 59 -1.102 9.077 -4.378 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.209 9.464 -3.040 1.00 10.00 H new ATOM 0 HE3 MET A 59 -2.364 7.915 -3.903 1.00 10.00 H new ATOM 664 N ASN A 60 -7.554 8.305 -3.872 1.00 10.00 N ATOM 665 CA ASN A 60 -8.368 8.869 -2.786 1.00 10.00 C ATOM 666 C ASN A 60 -9.678 8.108 -2.610 1.00 10.00 C ATOM 667 O ASN A 60 -10.522 8.491 -1.801 1.00 10.00 O ATOM 668 CB ASN A 60 -8.639 10.363 -2.998 1.00 10.00 C ATOM 669 CG ASN A 60 -7.564 11.235 -2.380 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.516 11.480 -2.985 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.814 11.709 -1.169 1.00 10.00 N ATOM 0 H ASN A 60 -6.780 7.727 -3.544 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.788 8.759 -1.870 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -8.703 10.571 -4.066 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -9.606 10.620 -2.565 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -7.127 12.301 -0.701 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -8.693 11.482 -0.704 1.00 10.00 H new ATOM 678 N SER A 61 -9.835 7.028 -3.365 1.00 10.00 N ATOM 679 CA SER A 61 -11.027 6.202 -3.276 1.00 10.00 C ATOM 680 C SER A 61 -10.855 5.178 -2.164 1.00 10.00 C ATOM 681 O SER A 61 -11.778 4.905 -1.391 1.00 10.00 O ATOM 682 CB SER A 61 -11.281 5.497 -4.611 1.00 10.00 C ATOM 683 OG SER A 61 -10.169 4.700 -4.984 1.00 10.00 O ATOM 0 H SER A 61 -9.148 6.705 -4.047 1.00 10.00 H new ATOM 0 HA SER A 61 -11.886 6.834 -3.050 1.00 10.00 H new ATOM 0 HB2 SER A 61 -12.171 4.872 -4.533 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.478 6.238 -5.386 1.00 10.00 H new ATOM 0 HG SER A 61 -9.468 5.272 -5.361 1.00 10.00 H new ATOM 689 N LEU A 62 -9.654 4.620 -2.089 1.00 10.00 N ATOM 690 CA LEU A 62 -9.320 3.629 -1.085 1.00 10.00 C ATOM 691 C LEU A 62 -8.341 4.218 -0.077 1.00 10.00 C ATOM 692 O LEU A 62 -7.373 4.883 -0.451 1.00 10.00 O ATOM 693 CB LEU A 62 -8.706 2.390 -1.744 1.00 10.00 C ATOM 694 CG LEU A 62 -9.544 1.747 -2.853 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.759 0.641 -3.540 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.849 1.206 -2.295 1.00 10.00 C ATOM 0 H LEU A 62 -8.887 4.844 -2.723 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.233 3.336 -0.567 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.736 2.664 -2.159 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.523 1.643 -0.972 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.780 2.513 -3.591 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.370 0.195 -4.325 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.852 1.057 -3.978 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.492 -0.123 -2.810 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.429 0.754 -3.099 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.636 0.455 -1.534 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.420 2.021 -1.850 1.00 10.00 H new ATOM 708 N ARG A 63 -8.603 3.981 1.198 1.00 10.00 N ATOM 709 CA ARG A 63 -7.747 4.479 2.261 1.00 10.00 C ATOM 710 C ARG A 63 -6.888 3.352 2.822 1.00 10.00 C ATOM 711 O ARG A 63 -7.382 2.255 3.099 1.00 10.00 O ATOM 712 CB ARG A 63 -8.579 5.120 3.380 1.00 10.00 C ATOM 713 CG ARG A 63 -9.508 4.150 4.093 1.00 10.00 C ATOM 714 CD ARG A 63 -10.118 4.774 5.339 1.00 10.00 C ATOM 715 NE ARG A 63 -10.877 3.798 6.124 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.208 3.786 6.228 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.945 4.701 5.606 1.00 10.00 N ATOM 718 NH2 ARG A 63 -12.804 2.852 6.958 1.00 10.00 N ATOM 0 H ARG A 63 -9.407 3.443 1.523 1.00 10.00 H new ATOM 0 HA ARG A 63 -7.094 5.244 1.840 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.904 5.565 4.111 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -9.172 5.932 2.958 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.302 3.840 3.414 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.956 3.252 4.368 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.327 5.200 5.956 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.773 5.596 5.050 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.354 3.080 6.625 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.494 5.422 5.042 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.961 4.682 5.692 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.246 2.146 7.438 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -13.821 2.840 7.040 1.00 10.00 H new ATOM 732 N PHE A 64 -5.603 3.627 2.968 1.00 10.00 N ATOM 733 CA PHE A 64 -4.664 2.656 3.505 1.00 10.00 C ATOM 734 C PHE A 64 -4.535 2.838 5.008 1.00 10.00 C ATOM 735 O PHE A 64 -4.252 3.939 5.486 1.00 10.00 O ATOM 736 CB PHE A 64 -3.299 2.815 2.838 1.00 10.00 C ATOM 737 CG PHE A 64 -3.237 2.249 1.449 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.442 3.061 0.344 1.00 10.00 C ATOM 739 CD2 PHE A 64 -2.966 0.906 1.248 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.380 2.542 -0.934 1.00 10.00 C ATOM 741 CE2 PHE A 64 -2.905 0.381 -0.026 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.110 1.201 -1.119 1.00 10.00 C ATOM 0 H PHE A 64 -5.183 4.523 2.720 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.038 1.653 3.299 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -3.044 3.874 2.801 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.544 2.326 3.454 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.652 4.111 0.484 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.800 0.262 2.099 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.542 3.184 -1.787 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.697 -0.669 -0.169 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.059 0.793 -2.118 1.00 10.00 H new ATOM 752 N LEU A 65 -4.747 1.764 5.747 1.00 10.00 N ATOM 753 CA LEU A 65 -4.674 1.815 7.197 1.00 10.00 C ATOM 754 C LEU A 65 -3.512 0.989 7.726 1.00 10.00 C ATOM 755 O LEU A 65 -3.384 -0.201 7.425 1.00 10.00 O ATOM 756 CB LEU A 65 -5.981 1.320 7.814 1.00 10.00 C ATOM 757 CG LEU A 65 -7.217 2.154 7.474 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.465 1.496 8.030 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.073 3.570 8.011 1.00 10.00 C ATOM 0 H LEU A 65 -4.971 0.844 5.367 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.511 2.855 7.481 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.153 0.294 7.487 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.866 1.294 8.898 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.309 2.210 6.389 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.337 2.101 7.780 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.576 0.502 7.596 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.380 1.412 9.113 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.963 4.147 7.759 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.956 3.538 9.094 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.197 4.041 7.565 1.00 10.00 H new ATOM 771 N PHE A 66 -2.677 1.634 8.521 1.00 10.00 N ATOM 772 CA PHE A 66 -1.527 0.992 9.131 1.00 10.00 C ATOM 773 C PHE A 66 -1.488 1.346 10.609 1.00 10.00 C ATOM 774 O PHE A 66 -1.446 2.526 10.964 1.00 10.00 O ATOM 775 CB PHE A 66 -0.234 1.440 8.442 1.00 10.00 C ATOM 776 CG PHE A 66 1.015 0.876 9.063 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.302 -0.479 8.976 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.904 1.704 9.733 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.450 -0.994 9.547 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.052 1.190 10.305 1.00 10.00 C ATOM 781 CZ PHE A 66 3.325 -0.159 10.211 1.00 10.00 C ATOM 0 H PHE A 66 -2.778 2.620 8.762 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.613 -0.089 9.017 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.272 1.145 7.393 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.180 2.528 8.465 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.621 -1.137 8.457 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.697 2.761 9.808 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.662 -2.050 9.474 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.736 1.844 10.826 1.00 10.00 H new ATOM 0 HZ PHE A 66 4.223 -0.561 10.657 1.00 10.00 H new ATOM 791 N GLU A 67 -1.538 0.322 11.462 1.00 10.00 N ATOM 792 CA GLU A 67 -1.522 0.514 12.915 1.00 10.00 C ATOM 793 C GLU A 67 -2.748 1.301 13.378 1.00 10.00 C ATOM 794 O GLU A 67 -2.737 1.930 14.436 1.00 10.00 O ATOM 795 CB GLU A 67 -0.236 1.226 13.348 1.00 10.00 C ATOM 796 CG GLU A 67 0.909 0.276 13.638 1.00 10.00 C ATOM 797 CD GLU A 67 0.951 -0.138 15.092 1.00 10.00 C ATOM 798 OE1 GLU A 67 0.139 -0.994 15.496 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.796 0.397 15.839 1.00 10.00 O ATOM 0 H GLU A 67 -1.590 -0.654 11.171 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.552 -0.469 13.385 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.067 1.921 12.565 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.440 1.820 14.239 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.811 -0.611 13.012 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.852 0.753 13.370 1.00 10.00 H new ATOM 806 N GLY A 68 -3.802 1.261 12.572 1.00 10.00 N ATOM 807 CA GLY A 68 -5.024 1.964 12.905 1.00 10.00 C ATOM 808 C GLY A 68 -5.077 3.349 12.294 1.00 10.00 C ATOM 809 O GLY A 68 -6.153 3.919 12.125 1.00 10.00 O ATOM 0 H GLY A 68 -3.831 0.751 11.689 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.880 1.384 12.559 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.110 2.044 13.989 1.00 10.00 H new ATOM 813 N GLN A 69 -3.916 3.885 11.946 1.00 10.00 N ATOM 814 CA GLN A 69 -3.832 5.215 11.355 1.00 10.00 C ATOM 815 C GLN A 69 -3.860 5.114 9.837 1.00 10.00 C ATOM 816 O GLN A 69 -3.659 4.034 9.282 1.00 10.00 O ATOM 817 CB GLN A 69 -2.548 5.911 11.808 1.00 10.00 C ATOM 818 CG GLN A 69 -2.372 5.933 13.316 1.00 10.00 C ATOM 819 CD GLN A 69 -1.058 6.556 13.745 1.00 10.00 C ATOM 820 OE1 GLN A 69 -0.059 6.488 13.028 1.00 10.00 O ATOM 821 NE2 GLN A 69 -1.051 7.165 14.917 1.00 10.00 N ATOM 0 H GLN A 69 -3.016 3.419 12.063 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.688 5.802 11.687 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.693 5.408 11.357 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.548 6.935 11.435 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -3.196 6.488 13.765 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.428 4.914 13.699 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.901 7.198 15.480 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.195 7.602 15.259 1.00 10.00 H new ATOM 830 N ARG A 70 -4.110 6.227 9.166 1.00 10.00 N ATOM 831 CA ARG A 70 -4.156 6.225 7.713 1.00 10.00 C ATOM 832 C ARG A 70 -2.844 6.734 7.127 1.00 10.00 C ATOM 833 O ARG A 70 -2.214 7.644 7.673 1.00 10.00 O ATOM 834 CB ARG A 70 -5.338 7.055 7.199 1.00 10.00 C ATOM 835 CG ARG A 70 -5.229 8.545 7.481 1.00 10.00 C ATOM 836 CD ARG A 70 -6.553 9.249 7.235 1.00 10.00 C ATOM 837 NE ARG A 70 -6.951 9.201 5.826 1.00 10.00 N ATOM 838 CZ ARG A 70 -8.201 8.989 5.408 1.00 10.00 C ATOM 839 NH1 ARG A 70 -9.179 8.776 6.278 1.00 10.00 N ATOM 840 NH2 ARG A 70 -8.474 8.992 4.113 1.00 10.00 N ATOM 0 H ARG A 70 -4.283 7.134 9.599 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.298 5.196 7.384 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.429 6.907 6.123 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.255 6.678 7.652 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.918 8.700 8.514 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.458 8.982 6.847 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.328 8.786 7.846 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.475 10.288 7.554 1.00 10.00 H new ATOM 0 HE ARG A 70 -6.228 9.338 5.120 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.980 8.773 7.278 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -10.130 8.615 5.947 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.730 9.156 3.435 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -9.429 8.830 3.793 1.00 10.00 H new ATOM 854 N ILE A 71 -2.433 6.128 6.024 1.00 10.00 N ATOM 855 CA ILE A 71 -1.198 6.503 5.352 1.00 10.00 C ATOM 856 C ILE A 71 -1.397 7.750 4.500 1.00 10.00 C ATOM 857 O ILE A 71 -2.272 7.792 3.631 1.00 10.00 O ATOM 858 CB ILE A 71 -0.675 5.352 4.464 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.390 4.108 5.315 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.576 5.773 3.699 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.644 4.333 6.402 1.00 10.00 C ATOM 0 H ILE A 71 -2.941 5.368 5.572 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.460 6.715 6.126 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.449 5.109 3.736 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.320 3.773 5.775 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.049 3.304 4.663 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.922 4.943 3.082 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.343 6.626 3.062 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.358 6.051 4.405 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.791 3.409 6.961 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.587 4.638 5.949 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.297 5.114 7.078 1.00 10.00 H new ATOM 873 N ALA A 72 -0.582 8.758 4.750 1.00 10.00 N ATOM 874 CA ALA A 72 -0.657 10.005 4.011 1.00 10.00 C ATOM 875 C ALA A 72 0.154 9.914 2.724 1.00 10.00 C ATOM 876 O ALA A 72 0.941 8.987 2.537 1.00 10.00 O ATOM 877 CB ALA A 72 -0.169 11.158 4.873 1.00 10.00 C ATOM 0 H ALA A 72 0.145 8.737 5.465 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.698 10.189 3.745 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -0.231 12.087 4.307 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.791 11.235 5.765 1.00 10.00 H new ATOM 0 HB3 ALA A 72 0.865 10.980 5.167 1.00 10.00 H new ATOM 883 N ASP A 73 -0.037 10.884 1.842 1.00 10.00 N ATOM 884 CA ASP A 73 0.670 10.912 0.564 1.00 10.00 C ATOM 885 C ASP A 73 2.133 11.300 0.758 1.00 10.00 C ATOM 886 O ASP A 73 2.966 11.083 -0.118 1.00 10.00 O ATOM 887 CB ASP A 73 0.000 11.901 -0.397 1.00 10.00 C ATOM 888 CG ASP A 73 -1.147 11.285 -1.177 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.753 10.310 -0.686 1.00 10.00 O ATOM 890 OD2 ASP A 73 -1.453 11.781 -2.283 1.00 10.00 O ATOM 0 H ASP A 73 -0.677 11.665 1.986 1.00 10.00 H new ATOM 0 HA ASP A 73 0.627 9.910 0.137 1.00 10.00 H new ATOM 0 HB2 ASP A 73 -0.371 12.755 0.170 1.00 10.00 H new ATOM 0 HB3 ASP A 73 0.745 12.281 -1.096 1.00 10.00 H new ATOM 895 N ASN A 74 2.441 11.865 1.916 1.00 10.00 N ATOM 896 CA ASN A 74 3.801 12.300 2.224 1.00 10.00 C ATOM 897 C ASN A 74 4.497 11.320 3.160 1.00 10.00 C ATOM 898 O ASN A 74 5.553 11.623 3.712 1.00 10.00 O ATOM 899 CB ASN A 74 3.784 13.697 2.858 1.00 10.00 C ATOM 900 CG ASN A 74 3.171 13.708 4.248 1.00 10.00 C ATOM 901 OD1 ASN A 74 1.949 13.674 4.400 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.010 13.777 5.269 1.00 10.00 N ATOM 0 H ASN A 74 1.767 12.035 2.662 1.00 10.00 H new ATOM 0 HA ASN A 74 4.357 12.335 1.287 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.804 14.078 2.913 1.00 10.00 H new ATOM 0 HB3 ASN A 74 3.225 14.376 2.214 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.651 13.804 6.223 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.016 13.803 5.102 1.00 10.00 H new ATOM 909 N HIS A 75 3.917 10.144 3.332 1.00 10.00 N ATOM 910 CA HIS A 75 4.498 9.142 4.216 1.00 10.00 C ATOM 911 C HIS A 75 5.560 8.315 3.501 1.00 10.00 C ATOM 912 O HIS A 75 5.456 8.039 2.301 1.00 10.00 O ATOM 913 CB HIS A 75 3.415 8.225 4.781 1.00 10.00 C ATOM 914 CG HIS A 75 2.865 8.677 6.099 1.00 10.00 C ATOM 915 ND1 HIS A 75 1.594 8.342 6.496 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.452 9.416 7.074 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.435 8.876 7.694 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.532 9.535 8.083 1.00 10.00 N ATOM 0 H HIS A 75 3.050 9.859 2.876 1.00 10.00 H new ATOM 0 HA HIS A 75 4.977 9.673 5.039 1.00 10.00 H new ATOM 0 HB2 HIS A 75 2.599 8.157 4.062 1.00 10.00 H new ATOM 0 HB3 HIS A 75 3.825 7.221 4.894 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.449 9.830 7.058 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.534 8.791 8.284 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.660 10.032 8.964 1.00 10.00 H new ATOM 926 N THR A 76 6.587 7.938 4.246 1.00 10.00 N ATOM 927 CA THR A 76 7.677 7.134 3.720 1.00 10.00 C ATOM 928 C THR A 76 7.807 5.851 4.540 1.00 10.00 C ATOM 929 O THR A 76 7.590 5.874 5.752 1.00 10.00 O ATOM 930 CB THR A 76 9.014 7.912 3.773 1.00 10.00 C ATOM 931 OG1 THR A 76 8.776 9.284 4.121 1.00 10.00 O ATOM 932 CG2 THR A 76 9.739 7.851 2.437 1.00 10.00 C ATOM 0 H THR A 76 6.688 8.181 5.232 1.00 10.00 H new ATOM 0 HA THR A 76 7.456 6.893 2.680 1.00 10.00 H new ATOM 0 HB THR A 76 9.641 7.444 4.532 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.594 9.351 5.082 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.674 8.406 2.505 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.951 6.812 2.185 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.111 8.291 1.662 1.00 10.00 H new ATOM 940 N PRO A 77 8.168 4.715 3.908 1.00 10.00 N ATOM 941 CA PRO A 77 8.320 3.432 4.615 1.00 10.00 C ATOM 942 C PRO A 77 9.448 3.467 5.652 1.00 10.00 C ATOM 943 O PRO A 77 9.596 2.550 6.459 1.00 10.00 O ATOM 944 CB PRO A 77 8.656 2.435 3.496 1.00 10.00 C ATOM 945 CG PRO A 77 8.248 3.105 2.230 1.00 10.00 C ATOM 946 CD PRO A 77 8.436 4.574 2.466 1.00 10.00 C ATOM 0 HA PRO A 77 7.422 3.174 5.176 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.720 2.197 3.489 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.120 1.496 3.633 1.00 10.00 H new ATOM 0 HG2 PRO A 77 8.856 2.763 1.393 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.211 2.878 1.984 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.445 4.898 2.209 1.00 10.00 H new ATOM 0 HD3 PRO A 77 7.747 5.170 1.867 1.00 10.00 H new ATOM 954 N LYS A 78 10.238 4.535 5.619 1.00 10.00 N ATOM 955 CA LYS A 78 11.350 4.705 6.542 1.00 10.00 C ATOM 956 C LYS A 78 10.846 5.129 7.924 1.00 10.00 C ATOM 957 O LYS A 78 11.466 4.821 8.945 1.00 10.00 O ATOM 958 CB LYS A 78 12.333 5.741 5.984 1.00 10.00 C ATOM 959 CG LYS A 78 13.581 5.939 6.832 1.00 10.00 C ATOM 960 CD LYS A 78 14.412 4.667 6.930 1.00 10.00 C ATOM 961 CE LYS A 78 15.022 4.280 5.591 1.00 10.00 C ATOM 962 NZ LYS A 78 16.504 4.251 5.648 1.00 10.00 N ATOM 0 H LYS A 78 10.125 5.302 4.956 1.00 10.00 H new ATOM 0 HA LYS A 78 11.866 3.751 6.651 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.633 5.437 4.981 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.819 6.697 5.886 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.188 6.736 6.403 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.292 6.261 7.832 1.00 10.00 H new ATOM 0 HD2 LYS A 78 15.206 4.809 7.663 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.786 3.852 7.292 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.651 3.300 5.292 1.00 10.00 H new ATOM 0 HE3 LYS A 78 14.702 4.989 4.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.882 3.983 4.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.860 5.193 5.908 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 16.811 3.556 6.359 1.00 10.00 H new ATOM 976 N GLU A 79 9.717 5.821 7.955 1.00 10.00 N ATOM 977 CA GLU A 79 9.143 6.275 9.212 1.00 10.00 C ATOM 978 C GLU A 79 7.947 5.404 9.586 1.00 10.00 C ATOM 979 O GLU A 79 7.702 4.383 8.937 1.00 10.00 O ATOM 980 CB GLU A 79 8.746 7.751 9.120 1.00 10.00 C ATOM 981 CG GLU A 79 7.568 8.018 8.202 1.00 10.00 C ATOM 982 CD GLU A 79 7.623 9.390 7.576 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.882 10.374 8.301 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.416 9.495 6.351 1.00 10.00 O ATOM 0 H GLU A 79 9.182 6.080 7.126 1.00 10.00 H new ATOM 0 HA GLU A 79 9.893 6.181 9.998 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.505 8.114 10.119 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.603 8.326 8.770 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.546 7.264 7.415 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.641 7.917 8.767 1.00 10.00 H new ATOM 991 N LEU A 80 7.221 5.807 10.639 1.00 10.00 N ATOM 992 CA LEU A 80 6.045 5.075 11.134 1.00 10.00 C ATOM 993 C LEU A 80 6.463 3.773 11.815 1.00 10.00 C ATOM 994 O LEU A 80 6.159 3.543 12.985 1.00 10.00 O ATOM 995 CB LEU A 80 5.043 4.772 10.006 1.00 10.00 C ATOM 996 CG LEU A 80 4.513 5.985 9.240 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.659 5.535 8.066 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.722 6.899 10.163 1.00 10.00 C ATOM 0 H LEU A 80 7.433 6.650 11.172 1.00 10.00 H new ATOM 0 HA LEU A 80 5.552 5.719 11.862 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.519 4.097 9.295 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.195 4.238 10.434 1.00 10.00 H new ATOM 0 HG LEU A 80 5.362 6.549 8.853 1.00 10.00 H new ATOM 0 HD11 LEU A 80 3.288 6.409 7.530 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.260 4.924 7.392 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.816 4.950 8.433 1.00 10.00 H new ATOM 0 HD21 LEU A 80 3.354 7.756 9.599 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.878 6.351 10.582 1.00 10.00 H new ATOM 0 HD23 LEU A 80 4.366 7.246 10.971 1.00 10.00 H new ATOM 1010 N GLY A 81 7.170 2.938 11.080 1.00 10.00 N ATOM 1011 CA GLY A 81 7.619 1.672 11.604 1.00 10.00 C ATOM 1012 C GLY A 81 7.196 0.529 10.715 1.00 10.00 C ATOM 1013 O GLY A 81 6.612 -0.447 11.185 1.00 10.00 O ATOM 0 H GLY A 81 7.445 3.118 10.114 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.705 1.680 11.698 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.213 1.526 12.605 1.00 10.00 H new ATOM 1017 N MET A 82 7.481 0.661 9.426 1.00 10.00 N ATOM 1018 CA MET A 82 7.128 -0.363 8.454 1.00 10.00 C ATOM 1019 C MET A 82 8.276 -1.341 8.270 1.00 10.00 C ATOM 1020 O MET A 82 9.424 -0.942 8.057 1.00 10.00 O ATOM 1021 CB MET A 82 6.760 0.267 7.111 1.00 10.00 C ATOM 1022 CG MET A 82 5.285 0.605 6.984 1.00 10.00 C ATOM 1023 SD MET A 82 4.886 1.398 5.413 1.00 10.00 S ATOM 1024 CE MET A 82 3.105 1.518 5.553 1.00 10.00 C ATOM 0 H MET A 82 7.958 1.471 9.029 1.00 10.00 H new ATOM 0 HA MET A 82 6.261 -0.903 8.834 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.346 1.176 6.972 1.00 10.00 H new ATOM 0 HB3 MET A 82 7.038 -0.417 6.309 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.697 -0.307 7.086 1.00 10.00 H new ATOM 0 HG3 MET A 82 4.995 1.264 7.803 1.00 10.00 H new ATOM 0 HE1 MET A 82 2.701 1.989 4.657 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.681 0.520 5.662 1.00 10.00 H new ATOM 0 HE3 MET A 82 2.848 2.118 6.426 1.00 10.00 H new ATOM 1034 N GLU A 83 7.961 -2.621 8.360 1.00 10.00 N ATOM 1035 CA GLU A 83 8.960 -3.663 8.213 1.00 10.00 C ATOM 1036 C GLU A 83 8.520 -4.699 7.184 1.00 10.00 C ATOM 1037 O GLU A 83 7.456 -4.575 6.577 1.00 10.00 O ATOM 1038 CB GLU A 83 9.225 -4.329 9.565 1.00 10.00 C ATOM 1039 CG GLU A 83 9.787 -3.374 10.608 1.00 10.00 C ATOM 1040 CD GLU A 83 10.901 -3.990 11.427 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.580 -3.247 12.170 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.095 -5.218 11.349 1.00 10.00 O ATOM 0 H GLU A 83 7.017 -2.964 8.535 1.00 10.00 H new ATOM 0 HA GLU A 83 9.884 -3.207 7.857 1.00 10.00 H new ATOM 0 HB2 GLU A 83 8.295 -4.758 9.939 1.00 10.00 H new ATOM 0 HB3 GLU A 83 9.923 -5.154 9.425 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.160 -2.479 10.111 1.00 10.00 H new ATOM 0 HG3 GLU A 83 8.984 -3.058 11.274 1.00 10.00 H new ATOM 1049 N GLU A 84 9.349 -5.714 6.989 1.00 10.00 N ATOM 1050 CA GLU A 84 9.059 -6.778 6.037 1.00 10.00 C ATOM 1051 C GLU A 84 7.889 -7.628 6.524 1.00 10.00 C ATOM 1052 O GLU A 84 7.782 -7.916 7.720 1.00 10.00 O ATOM 1053 CB GLU A 84 10.310 -7.643 5.835 1.00 10.00 C ATOM 1054 CG GLU A 84 10.095 -8.867 4.960 1.00 10.00 C ATOM 1055 CD GLU A 84 9.678 -8.518 3.548 1.00 10.00 C ATOM 1056 OE1 GLU A 84 10.115 -7.465 3.036 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.927 -9.308 2.940 1.00 10.00 O ATOM 0 H GLU A 84 10.235 -5.824 7.482 1.00 10.00 H new ATOM 0 HA GLU A 84 8.778 -6.335 5.082 1.00 10.00 H new ATOM 0 HB2 GLU A 84 11.094 -7.028 5.392 1.00 10.00 H new ATOM 0 HB3 GLU A 84 10.673 -7.968 6.810 1.00 10.00 H new ATOM 0 HG2 GLU A 84 11.015 -9.450 4.928 1.00 10.00 H new ATOM 0 HG3 GLU A 84 9.332 -9.501 5.412 1.00 10.00 H new ATOM 1064 N GLU A 85 7.010 -8.002 5.588 1.00 10.00 N ATOM 1065 CA GLU A 85 5.836 -8.823 5.885 1.00 10.00 C ATOM 1066 C GLU A 85 4.862 -8.088 6.800 1.00 10.00 C ATOM 1067 O GLU A 85 4.114 -8.710 7.556 1.00 10.00 O ATOM 1068 CB GLU A 85 6.249 -10.156 6.516 1.00 10.00 C ATOM 1069 CG GLU A 85 6.638 -11.218 5.501 1.00 10.00 C ATOM 1070 CD GLU A 85 5.452 -11.729 4.704 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.620 -12.463 5.274 1.00 10.00 O ATOM 1072 OE2 GLU A 85 5.354 -11.412 3.501 1.00 10.00 O ATOM 0 H GLU A 85 7.094 -7.743 4.605 1.00 10.00 H new ATOM 0 HA GLU A 85 5.330 -9.025 4.941 1.00 10.00 H new ATOM 0 HB2 GLU A 85 7.089 -9.984 7.189 1.00 10.00 H new ATOM 0 HB3 GLU A 85 5.425 -10.531 7.123 1.00 10.00 H new ATOM 0 HG2 GLU A 85 7.380 -10.806 4.817 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.110 -12.053 6.018 1.00 10.00 H new ATOM 1079 N ASP A 86 4.872 -6.763 6.721 1.00 10.00 N ATOM 1080 CA ASP A 86 3.987 -5.944 7.542 1.00 10.00 C ATOM 1081 C ASP A 86 2.550 -6.057 7.055 1.00 10.00 C ATOM 1082 O ASP A 86 2.306 -6.372 5.890 1.00 10.00 O ATOM 1083 CB ASP A 86 4.427 -4.481 7.532 1.00 10.00 C ATOM 1084 CG ASP A 86 4.526 -3.910 8.929 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.754 -4.344 9.810 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.384 -3.034 9.158 1.00 10.00 O ATOM 0 H ASP A 86 5.482 -6.233 6.098 1.00 10.00 H new ATOM 0 HA ASP A 86 4.044 -6.314 8.566 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.394 -4.397 7.036 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.718 -3.893 6.949 1.00 10.00 H new ATOM 1091 N VAL A 87 1.603 -5.788 7.939 1.00 10.00 N ATOM 1092 CA VAL A 87 0.192 -5.891 7.597 1.00 10.00 C ATOM 1093 C VAL A 87 -0.447 -4.518 7.422 1.00 10.00 C ATOM 1094 O VAL A 87 -0.435 -3.690 8.333 1.00 10.00 O ATOM 1095 CB VAL A 87 -0.589 -6.687 8.667 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.065 -6.787 8.307 1.00 10.00 C ATOM 1097 CG2 VAL A 87 0.011 -8.074 8.845 1.00 10.00 C ATOM 0 H VAL A 87 1.785 -5.496 8.899 1.00 10.00 H new ATOM 0 HA VAL A 87 0.140 -6.424 6.648 1.00 10.00 H new ATOM 0 HB VAL A 87 -0.508 -6.149 9.612 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -2.590 -7.352 9.077 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -2.491 -5.786 8.237 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.172 -7.294 7.348 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -0.552 -8.620 9.602 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.035 -8.614 7.899 1.00 10.00 H new ATOM 0 HG23 VAL A 87 1.050 -7.983 9.161 1.00 10.00 H new ATOM 1107 N ILE A 88 -0.995 -4.287 6.240 1.00 10.00 N ATOM 1108 CA ILE A 88 -1.661 -3.035 5.930 1.00 10.00 C ATOM 1109 C ILE A 88 -3.010 -3.328 5.273 1.00 10.00 C ATOM 1110 O ILE A 88 -3.105 -4.179 4.387 1.00 10.00 O ATOM 1111 CB ILE A 88 -0.783 -2.132 5.024 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.479 -0.798 4.737 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.424 -2.839 3.724 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.554 0.245 4.143 1.00 10.00 C ATOM 0 H ILE A 88 -0.990 -4.959 5.473 1.00 10.00 H new ATOM 0 HA ILE A 88 -1.826 -2.487 6.858 1.00 10.00 H new ATOM 0 HB ILE A 88 0.142 -1.925 5.563 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.309 -0.969 4.052 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.904 -0.411 5.663 1.00 10.00 H new ATOM 0 HG21 ILE A 88 0.191 -2.181 3.110 1.00 10.00 H new ATOM 0 HG22 ILE A 88 0.130 -3.751 3.947 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.336 -3.091 3.183 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.110 1.165 3.964 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.263 0.444 4.836 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.149 -0.123 3.200 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.053 -2.649 5.727 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.390 -2.868 5.186 1.00 10.00 C ATOM 1128 C GLU A 89 -5.819 -1.723 4.281 1.00 10.00 C ATOM 1129 O GLU A 89 -5.350 -0.592 4.424 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.409 -3.039 6.314 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.160 -4.254 7.191 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.420 -4.744 7.873 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.061 -3.954 8.603 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.777 -5.928 7.694 1.00 10.00 O ATOM 0 H GLU A 89 -4.002 -1.946 6.464 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.353 -3.782 4.593 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.399 -2.145 6.938 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.406 -3.114 5.881 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -5.743 -5.057 6.584 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.414 -4.006 7.947 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.717 -2.025 3.356 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.228 -1.032 2.428 1.00 10.00 C ATOM 1143 C VAL A 90 -8.760 -1.073 2.397 1.00 10.00 C ATOM 1144 O VAL A 90 -9.363 -2.123 2.176 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.642 -1.241 1.008 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.866 -2.667 0.519 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.221 -0.234 0.027 1.00 10.00 C ATOM 0 H VAL A 90 -7.109 -2.958 3.229 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.914 -0.047 2.774 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.566 -1.076 1.068 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.443 -2.780 -0.479 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.380 -3.366 1.200 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.935 -2.877 0.486 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.794 -0.402 -0.962 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.303 -0.353 -0.020 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.981 0.776 0.359 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.386 0.067 2.657 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.844 0.158 2.663 1.00 10.00 C ATOM 1159 C TYR A 91 -11.302 1.305 1.780 1.00 10.00 C ATOM 1160 O TYR A 91 -10.549 2.242 1.544 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.364 0.378 4.087 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.155 -0.795 5.017 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.140 -1.763 5.177 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -9.976 -0.936 5.736 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.957 -2.831 6.036 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -9.785 -2.001 6.592 1.00 10.00 C ATOM 1167 CZ TYR A 91 -10.776 -2.945 6.737 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.586 -4.005 7.594 1.00 10.00 O ATOM 0 H TYR A 91 -8.908 0.944 2.867 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.244 -0.780 2.278 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.871 1.253 4.510 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.429 0.604 4.041 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.063 -1.679 4.622 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.195 -0.199 5.623 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.734 -3.571 6.157 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -8.862 -2.093 7.146 1.00 10.00 H new ATOM 0 HH TYR A 91 -9.746 -3.884 8.083 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.530 1.233 1.292 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.059 2.293 0.450 1.00 10.00 C ATOM 1180 C GLN A 92 -13.626 3.410 1.314 1.00 10.00 C ATOM 1181 O GLN A 92 -14.281 3.153 2.325 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.145 1.762 -0.490 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.518 2.744 -1.593 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.958 2.611 -2.038 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.278 1.829 -2.935 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.838 3.381 -1.423 1.00 10.00 N ATOM 0 H GLN A 92 -13.173 0.460 1.462 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.242 2.682 -0.157 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.802 0.831 -0.942 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.035 1.524 0.092 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.344 3.761 -1.241 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.862 2.587 -2.449 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.533 4.015 -0.685 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.823 3.341 -1.686 1.00 10.00 H new ATOM 1195 N GLU A 93 -13.360 4.644 0.922 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.854 5.796 1.653 1.00 10.00 C ATOM 1197 C GLU A 93 -15.332 6.011 1.357 1.00 10.00 C ATOM 1198 O GLU A 93 -15.813 5.671 0.272 1.00 10.00 O ATOM 1199 CB GLU A 93 -13.053 7.042 1.270 1.00 10.00 C ATOM 1200 CG GLU A 93 -11.638 7.042 1.819 1.00 10.00 C ATOM 1201 CD GLU A 93 -11.581 7.476 3.267 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -12.141 6.767 4.128 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.975 8.528 3.547 1.00 10.00 O ATOM 0 H GLU A 93 -12.803 4.873 0.099 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.734 5.614 2.721 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -13.013 7.119 0.183 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -13.576 7.927 1.634 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -11.215 6.042 1.725 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -11.018 7.708 1.218 1.00 10.00 H new ATOM 1210 N GLN A 94 -16.049 6.572 2.323 1.00 10.00 N ATOM 1211 CA GLN A 94 -17.474 6.838 2.164 1.00 10.00 C ATOM 1212 C GLN A 94 -17.689 7.874 1.068 1.00 10.00 C ATOM 1213 O GLN A 94 -18.709 7.872 0.376 1.00 10.00 O ATOM 1214 CB GLN A 94 -18.074 7.331 3.483 1.00 10.00 C ATOM 1215 CG GLN A 94 -19.593 7.384 3.478 1.00 10.00 C ATOM 1216 CD GLN A 94 -20.163 8.005 4.738 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -19.548 8.881 5.348 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -21.338 7.554 5.145 1.00 10.00 N ATOM 0 H GLN A 94 -15.667 6.852 3.226 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.975 5.913 1.880 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -17.744 6.676 4.290 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -17.685 8.326 3.700 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -19.929 7.955 2.613 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.987 6.374 3.366 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -21.817 6.827 4.613 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -21.765 7.933 5.991 1.00 10.00 H new ATOM 1227 N THR A 95 -16.702 8.740 0.904 1.00 10.00 N ATOM 1228 CA THR A 95 -16.746 9.790 -0.099 1.00 10.00 C ATOM 1229 C THR A 95 -16.669 9.218 -1.513 1.00 10.00 C ATOM 1230 O THR A 95 -17.012 9.889 -2.485 1.00 10.00 O ATOM 1231 CB THR A 95 -15.586 10.771 0.121 1.00 10.00 C ATOM 1232 OG1 THR A 95 -14.725 10.261 1.152 1.00 10.00 O ATOM 1233 CG2 THR A 95 -16.104 12.142 0.519 1.00 10.00 C ATOM 0 H THR A 95 -15.848 8.734 1.462 1.00 10.00 H new ATOM 0 HA THR A 95 -17.698 10.311 0.006 1.00 10.00 H new ATOM 0 HB THR A 95 -15.031 10.873 -0.812 1.00 10.00 H new ATOM 0 HG1 THR A 95 -13.982 10.883 1.295 1.00 10.00 H new ATOM 0 HG21 THR A 95 -15.263 12.819 0.669 1.00 10.00 H new ATOM 0 HG22 THR A 95 -16.747 12.531 -0.270 1.00 10.00 H new ATOM 0 HG23 THR A 95 -16.674 12.061 1.444 1.00 10.00 H new ATOM 1241 N GLY A 96 -16.217 7.974 -1.621 1.00 10.00 N ATOM 1242 CA GLY A 96 -16.105 7.334 -2.915 1.00 10.00 C ATOM 1243 C GLY A 96 -14.805 7.676 -3.614 1.00 10.00 C ATOM 1244 O GLY A 96 -14.041 6.791 -3.986 1.00 10.00 O ATOM 0 H GLY A 96 -15.926 7.397 -0.832 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -16.175 6.253 -2.791 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.943 7.638 -3.542 1.00 10.00 H new ATOM 1248 N GLY A 97 -14.560 8.965 -3.787 1.00 10.00 N ATOM 1249 CA GLY A 97 -13.351 9.416 -4.434 1.00 10.00 C ATOM 1250 C GLY A 97 -13.548 10.767 -5.081 1.00 10.00 C ATOM 1251 O GLY A 97 -12.827 11.087 -6.045 1.00 10.00 O ATOM 0 H GLY A 97 -15.186 9.713 -3.487 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.544 9.474 -3.703 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -13.046 8.690 -5.188 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.636 -20.068 -2.193 1.00 10.00 N ATOM 1257 CA ASN B 357 -3.576 -19.111 -2.585 1.00 10.00 C ATOM 1258 C ASN B 357 -4.174 -17.732 -2.832 1.00 10.00 C ATOM 1259 O ASN B 357 -5.271 -17.612 -3.379 1.00 10.00 O ATOM 1260 CB ASN B 357 -2.843 -19.602 -3.843 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.761 -19.761 -5.041 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -4.923 -20.140 -4.908 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -3.243 -19.477 -6.223 1.00 10.00 N ATOM 0 HA ASN B 357 -2.857 -19.042 -1.769 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -2.049 -18.898 -4.092 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -2.366 -20.558 -3.629 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -3.812 -19.570 -7.065 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.274 -19.165 -6.294 1.00 10.00 H new ATOM 1272 N ASN B 358 -3.460 -16.695 -2.415 1.00 10.00 N ATOM 1273 CA ASN B 358 -3.931 -15.321 -2.591 1.00 10.00 C ATOM 1274 C ASN B 358 -2.800 -14.322 -2.380 1.00 10.00 C ATOM 1275 O ASN B 358 -3.028 -13.199 -1.928 1.00 10.00 O ATOM 1276 CB ASN B 358 -5.089 -15.007 -1.630 1.00 10.00 C ATOM 1277 CG ASN B 358 -4.782 -15.332 -0.177 1.00 10.00 C ATOM 1278 OD1 ASN B 358 -3.624 -15.394 0.237 1.00 10.00 O ATOM 1279 ND2 ASN B 358 -5.826 -15.525 0.614 1.00 10.00 N ATOM 0 H ASN B 358 -2.554 -16.775 -1.953 1.00 10.00 H new ATOM 0 HA ASN B 358 -4.291 -15.229 -3.616 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -5.340 -13.950 -1.711 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -5.970 -15.569 -1.941 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -5.685 -15.733 1.603 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -6.771 -15.466 0.235 1.00 10.00 H new ATOM 1286 N ARG B 359 -1.585 -14.730 -2.714 1.00 10.00 N ATOM 1287 CA ARG B 359 -0.422 -13.869 -2.553 1.00 10.00 C ATOM 1288 C ARG B 359 0.264 -13.637 -3.889 1.00 10.00 C ATOM 1289 O ARG B 359 0.947 -14.522 -4.405 1.00 10.00 O ATOM 1290 CB ARG B 359 0.586 -14.473 -1.569 1.00 10.00 C ATOM 1291 CG ARG B 359 0.002 -14.793 -0.207 1.00 10.00 C ATOM 1292 CD ARG B 359 1.077 -14.853 0.866 1.00 10.00 C ATOM 1293 NE ARG B 359 1.633 -13.528 1.155 1.00 10.00 N ATOM 1294 CZ ARG B 359 2.606 -13.308 2.044 1.00 10.00 C ATOM 1295 NH1 ARG B 359 3.138 -14.319 2.719 1.00 10.00 N ATOM 1296 NH2 ARG B 359 3.052 -12.079 2.258 1.00 10.00 N ATOM 0 H ARG B 359 -1.378 -15.652 -3.098 1.00 10.00 H new ATOM 0 HA ARG B 359 -0.776 -12.918 -2.156 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.997 -15.386 -2.000 1.00 10.00 H new ATOM 0 HB3 ARG B 359 1.416 -13.778 -1.443 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -0.736 -14.036 0.059 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -0.522 -15.748 -0.251 1.00 10.00 H new ATOM 0 HD2 ARG B 359 0.657 -15.278 1.778 1.00 10.00 H new ATOM 0 HD3 ARG B 359 1.876 -15.520 0.543 1.00 10.00 H new ATOM 0 HE ARG B 359 1.255 -12.727 0.648 1.00 10.00 H new ATOM 0 HH11 ARG B 359 2.804 -15.270 2.560 1.00 10.00 H new ATOM 0 HH12 ARG B 359 3.881 -14.145 3.396 1.00 10.00 H new ATOM 0 HH21 ARG B 359 2.652 -11.295 1.743 1.00 10.00 H new ATOM 0 HH22 ARG B 359 3.795 -11.917 2.938 1.00 10.00 H new ATOM 1310 N ASP B 360 0.058 -12.460 -4.457 1.00 10.00 N ATOM 1311 CA ASP B 360 0.687 -12.109 -5.720 1.00 10.00 C ATOM 1312 C ASP B 360 1.584 -10.891 -5.521 1.00 10.00 C ATOM 1313 O ASP B 360 1.202 -9.934 -4.843 1.00 10.00 O ATOM 1314 CB ASP B 360 -0.362 -11.877 -6.823 1.00 10.00 C ATOM 1315 CG ASP B 360 -0.843 -10.442 -6.924 1.00 10.00 C ATOM 1316 OD1 ASP B 360 -1.636 -10.015 -6.065 1.00 10.00 O ATOM 1317 OD2 ASP B 360 -0.465 -9.749 -7.896 1.00 10.00 O ATOM 0 H ASP B 360 -0.539 -11.732 -4.064 1.00 10.00 H new ATOM 0 HA ASP B 360 1.306 -12.942 -6.053 1.00 10.00 H new ATOM 0 HB2 ASP B 360 0.062 -12.176 -7.782 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -1.219 -12.525 -6.637 1.00 10.00 H new ATOM 1322 N PRO B 361 2.811 -10.939 -6.062 1.00 10.00 N ATOM 1323 CA PRO B 361 3.776 -9.849 -5.929 1.00 10.00 C ATOM 1324 C PRO B 361 3.512 -8.685 -6.880 1.00 10.00 C ATOM 1325 O PRO B 361 3.266 -8.882 -8.070 1.00 10.00 O ATOM 1326 CB PRO B 361 5.106 -10.521 -6.266 1.00 10.00 C ATOM 1327 CG PRO B 361 4.754 -11.634 -7.193 1.00 10.00 C ATOM 1328 CD PRO B 361 3.358 -12.074 -6.833 1.00 10.00 C ATOM 0 HA PRO B 361 3.736 -9.400 -4.937 1.00 10.00 H new ATOM 0 HB2 PRO B 361 5.795 -9.819 -6.736 1.00 10.00 H new ATOM 0 HB3 PRO B 361 5.597 -10.896 -5.368 1.00 10.00 H new ATOM 0 HG2 PRO B 361 4.800 -11.302 -8.230 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.458 -12.460 -7.091 1.00 10.00 H new ATOM 0 HD2 PRO B 361 2.762 -12.276 -7.723 1.00 10.00 H new ATOM 0 HD3 PRO B 361 3.368 -12.990 -6.242 1.00 10.00 H new ATOM 1336 N ILE B 362 3.563 -7.473 -6.344 1.00 10.00 N ATOM 1337 CA ILE B 362 3.353 -6.276 -7.141 1.00 10.00 C ATOM 1338 C ILE B 362 4.628 -5.451 -7.194 1.00 10.00 C ATOM 1339 O ILE B 362 5.254 -5.205 -6.164 1.00 10.00 O ATOM 1340 CB ILE B 362 2.212 -5.386 -6.591 1.00 10.00 C ATOM 1341 CG1 ILE B 362 0.934 -6.197 -6.382 1.00 10.00 C ATOM 1342 CG2 ILE B 362 1.942 -4.223 -7.538 1.00 10.00 C ATOM 1343 CD1 ILE B 362 -0.222 -5.371 -5.862 1.00 10.00 C ATOM 0 H ILE B 362 3.749 -7.295 -5.357 1.00 10.00 H new ATOM 0 HA ILE B 362 3.070 -6.614 -8.138 1.00 10.00 H new ATOM 0 HB ILE B 362 2.530 -4.992 -5.626 1.00 10.00 H new ATOM 0 HG12 ILE B 362 0.646 -6.658 -7.327 1.00 10.00 H new ATOM 0 HG13 ILE B 362 1.137 -7.007 -5.681 1.00 10.00 H new ATOM 0 HG21 ILE B 362 1.137 -3.607 -7.137 1.00 10.00 H new ATOM 0 HG22 ILE B 362 2.844 -3.620 -7.640 1.00 10.00 H new ATOM 0 HG23 ILE B 362 1.651 -4.609 -8.515 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -1.097 -6.008 -5.736 1.00 10.00 H new ATOM 0 HD12 ILE B 362 0.048 -4.932 -4.902 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -0.451 -4.577 -6.573 1.00 10.00 H new ATOM 1355 N VAL B 363 5.017 -5.043 -8.392 1.00 10.00 N ATOM 1356 CA VAL B 363 6.210 -4.229 -8.580 1.00 10.00 C ATOM 1357 C VAL B 363 5.868 -2.991 -9.399 1.00 10.00 C ATOM 1358 O VAL B 363 5.109 -3.073 -10.365 1.00 10.00 O ATOM 1359 CB VAL B 363 7.347 -5.018 -9.272 1.00 10.00 C ATOM 1360 CG1 VAL B 363 7.913 -6.078 -8.337 1.00 10.00 C ATOM 1361 CG2 VAL B 363 6.865 -5.653 -10.572 1.00 10.00 C ATOM 0 H VAL B 363 4.520 -5.264 -9.255 1.00 10.00 H new ATOM 0 HA VAL B 363 6.566 -3.934 -7.593 1.00 10.00 H new ATOM 0 HB VAL B 363 8.142 -4.313 -9.516 1.00 10.00 H new ATOM 0 HG11 VAL B 363 8.711 -6.621 -8.843 1.00 10.00 H new ATOM 0 HG12 VAL B 363 8.311 -5.599 -7.442 1.00 10.00 H new ATOM 0 HG13 VAL B 363 7.123 -6.774 -8.055 1.00 10.00 H new ATOM 0 HG21 VAL B 363 7.686 -6.201 -11.036 1.00 10.00 H new ATOM 0 HG22 VAL B 363 6.045 -6.339 -10.360 1.00 10.00 H new ATOM 0 HG23 VAL B 363 6.519 -4.874 -11.251 1.00 10.00 H new ATOM 1371 N ILE B 364 6.399 -1.844 -9.003 1.00 10.00 N ATOM 1372 CA ILE B 364 6.128 -0.599 -9.712 1.00 10.00 C ATOM 1373 C ILE B 364 7.425 0.131 -10.048 1.00 10.00 C ATOM 1374 O ILE B 364 8.502 -0.249 -9.584 1.00 10.00 O ATOM 1375 CB ILE B 364 5.219 0.349 -8.895 1.00 10.00 C ATOM 1376 CG1 ILE B 364 5.919 0.786 -7.604 1.00 10.00 C ATOM 1377 CG2 ILE B 364 3.889 -0.322 -8.574 1.00 10.00 C ATOM 1378 CD1 ILE B 364 5.482 2.149 -7.105 1.00 10.00 C ATOM 0 H ILE B 364 7.018 -1.748 -8.198 1.00 10.00 H new ATOM 0 HA ILE B 364 5.610 -0.874 -10.631 1.00 10.00 H new ATOM 0 HB ILE B 364 5.021 1.234 -9.500 1.00 10.00 H new ATOM 0 HG12 ILE B 364 5.726 0.046 -6.828 1.00 10.00 H new ATOM 0 HG13 ILE B 364 6.996 0.798 -7.771 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.266 0.363 -7.999 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.380 -0.584 -9.502 1.00 10.00 H new ATOM 0 HG23 ILE B 364 4.069 -1.225 -7.991 1.00 10.00 H new ATOM 0 HD11 ILE B 364 6.020 2.390 -6.188 1.00 10.00 H new ATOM 0 HD12 ILE B 364 5.701 2.901 -7.863 1.00 10.00 H new ATOM 0 HD13 ILE B 364 4.411 2.137 -6.905 1.00 10.00 H new ATOM 1390 N SER B 365 7.310 1.182 -10.845 1.00 10.00 N ATOM 1391 CA SER B 365 8.463 1.970 -11.241 1.00 10.00 C ATOM 1392 C SER B 365 8.446 3.339 -10.562 1.00 10.00 C ATOM 1393 O SER B 365 7.382 3.858 -10.212 1.00 10.00 O ATOM 1394 CB SER B 365 8.486 2.130 -12.763 1.00 10.00 C ATOM 1395 OG SER B 365 8.513 0.863 -13.398 1.00 10.00 O ATOM 0 H SER B 365 6.424 1.509 -11.231 1.00 10.00 H new ATOM 0 HA SER B 365 9.366 1.448 -10.924 1.00 10.00 H new ATOM 0 HB2 SER B 365 7.608 2.687 -13.089 1.00 10.00 H new ATOM 0 HB3 SER B 365 9.360 2.710 -13.060 1.00 10.00 H new ATOM 0 HG SER B 365 8.526 0.985 -14.370 1.00 10.00 H new ATOM 1401 N ASP B 366 9.630 3.908 -10.375 1.00 10.00 N ATOM 1402 CA ASP B 366 9.769 5.214 -9.740 1.00 10.00 C ATOM 1403 C ASP B 366 9.275 6.309 -10.676 1.00 10.00 C ATOM 1404 O ASP B 366 9.294 6.151 -11.898 1.00 10.00 O ATOM 1405 CB ASP B 366 11.232 5.467 -9.369 1.00 10.00 C ATOM 1406 CG ASP B 366 11.387 6.274 -8.097 1.00 10.00 C ATOM 1407 OD1 ASP B 366 11.886 5.715 -7.097 1.00 10.00 O ATOM 1408 OD2 ASP B 366 11.031 7.469 -8.094 1.00 10.00 O ATOM 0 H ASP B 366 10.514 3.483 -10.656 1.00 10.00 H new ATOM 0 HA ASP B 366 9.166 5.226 -8.832 1.00 10.00 H new ATOM 0 HB2 ASP B 366 11.742 4.511 -9.251 1.00 10.00 H new ATOM 0 HB3 ASP B 366 11.724 5.992 -10.188 1.00 10.00 H new ATOM 1413 N SER B 367 8.816 7.409 -10.107 1.00 10.00 N ATOM 1414 CA SER B 367 8.317 8.521 -10.896 1.00 10.00 C ATOM 1415 C SER B 367 8.576 9.840 -10.174 1.00 10.00 C ATOM 1416 O SER B 367 7.789 10.248 -9.318 1.00 10.00 O ATOM 1417 CB SER B 367 6.818 8.350 -11.170 1.00 10.00 C ATOM 1418 OG SER B 367 6.525 7.036 -11.622 1.00 10.00 O ATOM 0 H SER B 367 8.778 7.556 -9.098 1.00 10.00 H new ATOM 0 HA SER B 367 8.845 8.536 -11.849 1.00 10.00 H new ATOM 0 HB2 SER B 367 6.253 8.559 -10.261 1.00 10.00 H new ATOM 0 HB3 SER B 367 6.497 9.075 -11.918 1.00 10.00 H new ATOM 0 HG SER B 367 5.854 7.077 -12.335 1.00 10.00 H new ATOM 1424 N PRO B 368 9.706 10.499 -10.477 1.00 10.00 N ATOM 1425 CA PRO B 368 10.074 11.777 -9.872 1.00 10.00 C ATOM 1426 C PRO B 368 9.333 12.945 -10.518 1.00 10.00 C ATOM 1427 O PRO B 368 8.416 13.505 -9.882 1.00 10.00 O ATOM 1428 CB PRO B 368 11.587 11.889 -10.143 1.00 10.00 C ATOM 1429 CG PRO B 368 11.985 10.623 -10.833 1.00 10.00 C ATOM 1430 CD PRO B 368 10.733 10.043 -11.419 1.00 10.00 C ATOM 1431 OXT PRO B 368 9.663 13.290 -11.671 1.00 10.00 O ATOM 0 HA PRO B 368 9.818 11.816 -8.813 1.00 10.00 H new ATOM 0 HB2 PRO B 368 11.807 12.757 -10.765 1.00 10.00 H new ATOM 0 HB3 PRO B 368 12.140 12.015 -9.212 1.00 10.00 H new ATOM 0 HG2 PRO B 368 12.722 10.821 -11.612 1.00 10.00 H new ATOM 0 HG3 PRO B 368 12.443 9.926 -10.131 1.00 10.00 H new ATOM 0 HD2 PRO B 368 10.549 10.409 -12.429 1.00 10.00 H new ATOM 0 HD3 PRO B 368 10.777 8.955 -11.477 1.00 10.00 H new TER 1439 PRO B 368