USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 42 ASN : amide:sc= -0.0182 X(o=-2,f=-2) USER MOD Set 1.2: A 46 GLN : amide:sc= -1.99 X(o=-2,f=-2.2) USER MOD Set 2.1: A 10 TYR OH : rot -75:sc= 0.144 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.141 X(o=0.28,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.00482 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 170:sc= -1.09 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 67:sc= 0.64 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00039) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 0.0752 (180deg=0.0328) USER MOD Single : A 38 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.07) USER MOD Single : A 39 MET CE :methyl -155:sc= -2.05 (180deg=-6.14!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -111:sc= -2.16 (180deg=-5.14!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.565 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.26) USER MOD Single : A 76 MET CE :methyl -160:sc= -1.14 (180deg=-1.92) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.833 X(o=-0.83,f=-0.71) USER MOD Single : A 83 MET CE :methyl -128:sc= -0.273 (180deg=-1.23) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -69:sc= -3.77! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -60:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.887 -6.384 8.535 1.00 0.00 N ATOM 2 CA GLY A 1 -31.021 -5.429 7.865 1.00 0.00 C ATOM 3 C GLY A 1 -30.348 -4.497 8.875 1.00 0.00 C ATOM 4 O GLY A 1 -31.019 -3.717 9.549 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.332 -7.005 7.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.325 -6.958 9.196 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.625 -5.874 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.261 -5.961 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.602 -4.842 7.154 1.00 0.00 H new ATOM 8 N SER A 2 -29.030 -4.609 8.948 1.00 0.00 N ATOM 9 CA SER A 2 -28.258 -3.786 9.865 1.00 0.00 C ATOM 10 C SER A 2 -26.903 -3.442 9.245 1.00 0.00 C ATOM 11 O SER A 2 -26.574 -2.269 9.075 1.00 0.00 O ATOM 12 CB SER A 2 -28.064 -4.493 11.208 1.00 0.00 C ATOM 13 OG SER A 2 -26.984 -3.936 11.953 1.00 0.00 O ATOM 0 H SER A 2 -28.477 -5.257 8.387 1.00 0.00 H new ATOM 0 HA SER A 2 -28.811 -2.864 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.982 -4.421 11.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.877 -5.553 11.036 1.00 0.00 H new ATOM 0 HG SER A 2 -26.893 -4.413 12.804 1.00 0.00 H new ATOM 19 N SER A 3 -26.153 -4.486 8.923 1.00 0.00 N ATOM 20 CA SER A 3 -24.840 -4.309 8.325 1.00 0.00 C ATOM 21 C SER A 3 -24.530 -5.478 7.389 1.00 0.00 C ATOM 22 O SER A 3 -25.162 -6.529 7.472 1.00 0.00 O ATOM 23 CB SER A 3 -23.758 -4.188 9.400 1.00 0.00 C ATOM 24 OG SER A 3 -23.464 -2.828 9.711 1.00 0.00 O ATOM 0 H SER A 3 -26.429 -5.458 9.065 1.00 0.00 H new ATOM 0 HA SER A 3 -24.848 -3.383 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.085 -4.704 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.851 -4.686 9.059 1.00 0.00 H new ATOM 0 HG SER A 3 -24.279 -2.290 9.629 1.00 0.00 H new ATOM 30 N GLY A 4 -23.556 -5.255 6.518 1.00 0.00 N ATOM 31 CA GLY A 4 -23.154 -6.276 5.567 1.00 0.00 C ATOM 32 C GLY A 4 -22.553 -5.647 4.308 1.00 0.00 C ATOM 33 O GLY A 4 -23.056 -4.640 3.813 1.00 0.00 O ATOM 0 H GLY A 4 -23.034 -4.381 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.425 -6.941 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.016 -6.886 5.297 1.00 0.00 H new ATOM 37 N SER A 5 -21.486 -6.268 3.827 1.00 0.00 N ATOM 38 CA SER A 5 -20.811 -5.782 2.636 1.00 0.00 C ATOM 39 C SER A 5 -20.359 -6.961 1.772 1.00 0.00 C ATOM 40 O SER A 5 -20.905 -7.191 0.694 1.00 0.00 O ATOM 41 CB SER A 5 -19.614 -4.901 3.001 1.00 0.00 C ATOM 42 OG SER A 5 -18.957 -4.388 1.846 1.00 0.00 O ATOM 0 H SER A 5 -21.072 -7.104 4.241 1.00 0.00 H new ATOM 0 HA SER A 5 -21.515 -5.174 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.950 -4.073 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.906 -5.479 3.594 1.00 0.00 H new ATOM 0 HG SER A 5 -18.200 -3.830 2.121 1.00 0.00 H new ATOM 48 N SER A 6 -19.365 -7.677 2.278 1.00 0.00 N ATOM 49 CA SER A 6 -18.834 -8.827 1.566 1.00 0.00 C ATOM 50 C SER A 6 -17.967 -8.362 0.394 1.00 0.00 C ATOM 51 O SER A 6 -18.455 -8.226 -0.727 1.00 0.00 O ATOM 52 CB SER A 6 -19.959 -9.734 1.067 1.00 0.00 C ATOM 53 OG SER A 6 -19.685 -11.111 1.315 1.00 0.00 O ATOM 0 H SER A 6 -18.914 -7.483 3.172 1.00 0.00 H new ATOM 0 HA SER A 6 -18.220 -9.404 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.893 -9.456 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.102 -9.580 -0.003 1.00 0.00 H new ATOM 0 HG SER A 6 -20.428 -11.657 0.983 1.00 0.00 H new ATOM 59 N GLY A 7 -16.697 -8.131 0.693 1.00 0.00 N ATOM 60 CA GLY A 7 -15.759 -7.684 -0.322 1.00 0.00 C ATOM 61 C GLY A 7 -14.559 -8.629 -0.413 1.00 0.00 C ATOM 62 O GLY A 7 -13.658 -8.576 0.422 1.00 0.00 O ATOM 0 H GLY A 7 -16.296 -8.245 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.260 -7.633 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.416 -6.676 -0.087 1.00 0.00 H new ATOM 66 N GLU A 8 -14.587 -9.471 -1.436 1.00 0.00 N ATOM 67 CA GLU A 8 -13.513 -10.427 -1.648 1.00 0.00 C ATOM 68 C GLU A 8 -12.487 -9.862 -2.633 1.00 0.00 C ATOM 69 O GLU A 8 -12.853 -9.219 -3.615 1.00 0.00 O ATOM 70 CB GLU A 8 -14.061 -11.769 -2.136 1.00 0.00 C ATOM 71 CG GLU A 8 -13.952 -12.835 -1.044 1.00 0.00 C ATOM 72 CD GLU A 8 -14.219 -14.231 -1.612 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.296 -14.764 -2.265 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.340 -14.733 -1.381 1.00 0.00 O ATOM 0 H GLU A 8 -15.336 -9.511 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.015 -10.602 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.103 -11.654 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.510 -12.091 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.958 -12.804 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.665 -12.620 -0.248 1.00 0.00 H new ATOM 81 N GLY A 9 -11.222 -10.124 -2.335 1.00 0.00 N ATOM 82 CA GLY A 9 -10.141 -9.650 -3.183 1.00 0.00 C ATOM 83 C GLY A 9 -9.346 -8.543 -2.489 1.00 0.00 C ATOM 84 O GLY A 9 -9.926 -7.610 -1.936 1.00 0.00 O ATOM 0 H GLY A 9 -10.922 -10.658 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.478 -10.479 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.548 -9.276 -4.123 1.00 0.00 H new ATOM 88 N TYR A 10 -8.029 -8.682 -2.540 1.00 0.00 N ATOM 89 CA TYR A 10 -7.148 -7.705 -1.923 1.00 0.00 C ATOM 90 C TYR A 10 -6.312 -6.978 -2.978 1.00 0.00 C ATOM 91 O TYR A 10 -6.470 -5.775 -3.180 1.00 0.00 O ATOM 92 CB TYR A 10 -6.215 -8.498 -1.007 1.00 0.00 C ATOM 93 CG TYR A 10 -6.875 -8.983 0.285 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.670 -8.126 1.018 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.676 -10.279 0.717 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.292 -8.583 2.234 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.297 -10.736 1.933 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.075 -9.865 2.631 1.00 0.00 C ATOM 99 OH TYR A 10 -8.662 -10.296 3.780 1.00 0.00 O ATOM 0 H TYR A 10 -7.551 -9.457 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.725 -6.954 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.833 -9.360 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.357 -7.876 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.826 -7.112 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.054 -10.950 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.916 -7.922 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.149 -11.747 2.283 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.189 -9.918 4.551 1.00 0.00 H new ATOM 109 N GLU A 11 -5.440 -7.739 -3.624 1.00 0.00 N ATOM 110 CA GLU A 11 -4.579 -7.183 -4.653 1.00 0.00 C ATOM 111 C GLU A 11 -5.342 -6.148 -5.482 1.00 0.00 C ATOM 112 O GLU A 11 -4.888 -5.016 -5.639 1.00 0.00 O ATOM 113 CB GLU A 11 -4.007 -8.286 -5.545 1.00 0.00 C ATOM 114 CG GLU A 11 -3.262 -9.332 -4.713 1.00 0.00 C ATOM 115 CD GLU A 11 -4.155 -10.541 -4.425 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.902 -10.468 -3.426 1.00 0.00 O ATOM 117 OE2 GLU A 11 -4.071 -11.509 -5.211 1.00 0.00 O ATOM 0 H GLU A 11 -5.312 -8.737 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.741 -6.684 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.814 -8.765 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.330 -7.850 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.367 -9.655 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.932 -8.887 -3.774 1.00 0.00 H new ATOM 124 N GLN A 12 -6.489 -6.574 -5.990 1.00 0.00 N ATOM 125 CA GLN A 12 -7.320 -5.698 -6.799 1.00 0.00 C ATOM 126 C GLN A 12 -7.436 -4.321 -6.143 1.00 0.00 C ATOM 127 O GLN A 12 -7.004 -3.320 -6.713 1.00 0.00 O ATOM 128 CB GLN A 12 -8.702 -6.313 -7.030 1.00 0.00 C ATOM 129 CG GLN A 12 -9.491 -5.515 -8.070 1.00 0.00 C ATOM 130 CD GLN A 12 -10.975 -5.451 -7.703 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.711 -6.416 -7.819 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.370 -4.263 -7.254 1.00 0.00 N ATOM 0 H GLN A 12 -6.863 -7.514 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.845 -5.576 -7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.593 -7.345 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.254 -6.338 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.087 -4.505 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.375 -5.975 -9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.701 -3.497 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.342 -4.118 -6.982 1.00 0.00 H new ATOM 141 N ASP A 13 -8.021 -4.314 -4.955 1.00 0.00 N ATOM 142 CA ASP A 13 -8.199 -3.076 -4.215 1.00 0.00 C ATOM 143 C ASP A 13 -6.853 -2.357 -4.102 1.00 0.00 C ATOM 144 O ASP A 13 -6.732 -1.195 -4.488 1.00 0.00 O ATOM 145 CB ASP A 13 -8.709 -3.348 -2.799 1.00 0.00 C ATOM 146 CG ASP A 13 -9.953 -2.554 -2.396 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.419 -1.761 -3.242 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.410 -2.758 -1.250 1.00 0.00 O ATOM 0 H ASP A 13 -8.378 -5.146 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.927 -2.466 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.929 -4.411 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.910 -3.126 -2.092 1.00 0.00 H new ATOM 153 N PHE A 14 -5.876 -3.077 -3.572 1.00 0.00 N ATOM 154 CA PHE A 14 -4.543 -2.522 -3.403 1.00 0.00 C ATOM 155 C PHE A 14 -4.046 -1.886 -4.703 1.00 0.00 C ATOM 156 O PHE A 14 -3.857 -0.672 -4.771 1.00 0.00 O ATOM 157 CB PHE A 14 -3.619 -3.684 -3.032 1.00 0.00 C ATOM 158 CG PHE A 14 -2.163 -3.272 -2.805 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.315 -3.159 -3.863 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.716 -3.018 -1.546 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.036 -2.777 -3.652 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.365 -2.636 -1.335 1.00 0.00 C ATOM 163 CZ PHE A 14 0.483 -2.523 -2.393 1.00 0.00 C ATOM 0 H PHE A 14 -5.980 -4.040 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.555 -1.750 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.996 -4.161 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.655 -4.431 -3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.670 -3.360 -4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.389 -3.107 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.709 -2.688 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.010 -2.435 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.511 -2.232 -2.233 1.00 0.00 H new ATOM 173 N ALA A 15 -3.849 -2.733 -5.702 1.00 0.00 N ATOM 174 CA ALA A 15 -3.377 -2.268 -6.995 1.00 0.00 C ATOM 175 C ALA A 15 -4.123 -0.988 -7.375 1.00 0.00 C ATOM 176 O ALA A 15 -3.509 -0.010 -7.799 1.00 0.00 O ATOM 177 CB ALA A 15 -3.558 -3.378 -8.033 1.00 0.00 C ATOM 0 H ALA A 15 -4.008 -3.739 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.314 -2.030 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.204 -3.030 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.986 -4.255 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.613 -3.641 -8.105 1.00 0.00 H new ATOM 183 N VAL A 16 -5.437 -1.035 -7.210 1.00 0.00 N ATOM 184 CA VAL A 16 -6.274 0.109 -7.530 1.00 0.00 C ATOM 185 C VAL A 16 -5.866 1.295 -6.653 1.00 0.00 C ATOM 186 O VAL A 16 -5.765 2.422 -7.135 1.00 0.00 O ATOM 187 CB VAL A 16 -7.750 -0.264 -7.383 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.626 0.987 -7.297 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.203 -1.172 -8.528 1.00 0.00 C ATOM 0 H VAL A 16 -5.943 -1.848 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.131 0.408 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.864 -0.818 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.671 0.693 -7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.328 1.581 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.504 1.579 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.256 -1.422 -8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.066 -0.655 -9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.610 -2.086 -8.524 1.00 0.00 H new ATOM 199 N LEU A 17 -5.644 0.999 -5.381 1.00 0.00 N ATOM 200 CA LEU A 17 -5.250 2.027 -4.432 1.00 0.00 C ATOM 201 C LEU A 17 -3.968 2.704 -4.922 1.00 0.00 C ATOM 202 O LEU A 17 -3.975 3.889 -5.251 1.00 0.00 O ATOM 203 CB LEU A 17 -5.135 1.440 -3.024 1.00 0.00 C ATOM 204 CG LEU A 17 -6.401 1.499 -2.167 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.258 0.630 -0.915 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.763 2.945 -1.823 1.00 0.00 C ATOM 0 H LEU A 17 -5.729 0.063 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.015 2.800 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.827 0.398 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.339 1.965 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.227 1.090 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.172 0.690 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.083 -0.405 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.417 0.985 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.666 2.959 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.944 3.403 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.937 3.505 -2.742 1.00 0.00 H new ATOM 218 N THR A 18 -2.900 1.921 -4.957 1.00 0.00 N ATOM 219 CA THR A 18 -1.613 2.430 -5.401 1.00 0.00 C ATOM 220 C THR A 18 -1.792 3.337 -6.621 1.00 0.00 C ATOM 221 O THR A 18 -1.562 4.543 -6.542 1.00 0.00 O ATOM 222 CB THR A 18 -0.696 1.234 -5.662 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.471 0.378 -6.497 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.448 0.401 -4.403 1.00 0.00 C ATOM 0 H THR A 18 -2.899 0.938 -4.685 1.00 0.00 H new ATOM 0 HA THR A 18 -1.148 3.053 -4.637 1.00 0.00 H new ATOM 0 HB THR A 18 0.256 1.587 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.903 -0.341 -6.846 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.209 -0.435 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.021 1.024 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.397 0.020 -4.026 1.00 0.00 H new ATOM 232 N ALA A 19 -2.199 2.721 -7.721 1.00 0.00 N ATOM 233 CA ALA A 19 -2.411 3.458 -8.956 1.00 0.00 C ATOM 234 C ALA A 19 -3.068 4.802 -8.637 1.00 0.00 C ATOM 235 O ALA A 19 -2.517 5.856 -8.950 1.00 0.00 O ATOM 236 CB ALA A 19 -3.249 2.613 -9.917 1.00 0.00 C ATOM 0 H ALA A 19 -2.388 1.721 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.460 3.665 -9.447 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.408 3.165 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.725 1.682 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.212 2.388 -9.459 1.00 0.00 H new ATOM 242 N GLU A 20 -4.236 4.721 -8.017 1.00 0.00 N ATOM 243 CA GLU A 20 -4.974 5.918 -7.652 1.00 0.00 C ATOM 244 C GLU A 20 -4.093 6.851 -6.818 1.00 0.00 C ATOM 245 O GLU A 20 -3.973 8.036 -7.125 1.00 0.00 O ATOM 246 CB GLU A 20 -6.259 5.563 -6.902 1.00 0.00 C ATOM 247 CG GLU A 20 -7.290 6.688 -7.018 1.00 0.00 C ATOM 248 CD GLU A 20 -7.757 7.147 -5.635 1.00 0.00 C ATOM 249 OE1 GLU A 20 -6.891 7.215 -4.737 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.970 7.421 -5.508 1.00 0.00 O ATOM 0 H GLU A 20 -4.690 3.845 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.258 6.439 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.676 4.640 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.032 5.379 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.856 7.530 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.145 6.344 -7.599 1.00 0.00 H new ATOM 257 N ILE A 21 -3.499 6.281 -5.780 1.00 0.00 N ATOM 258 CA ILE A 21 -2.633 7.047 -4.900 1.00 0.00 C ATOM 259 C ILE A 21 -1.547 7.734 -5.732 1.00 0.00 C ATOM 260 O ILE A 21 -1.478 8.961 -5.777 1.00 0.00 O ATOM 261 CB ILE A 21 -2.082 6.157 -3.784 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.217 5.549 -2.958 1.00 0.00 C ATOM 263 CG2 ILE A 21 -1.086 6.925 -2.912 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.765 4.257 -2.273 1.00 0.00 C ATOM 0 H ILE A 21 -3.600 5.298 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.197 7.834 -4.400 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.538 5.331 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.550 6.266 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.071 5.343 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.709 6.270 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.255 7.270 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.584 7.783 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.590 3.845 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.456 3.534 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.926 4.471 -1.610 1.00 0.00 H new ATOM 276 N THR A 22 -0.726 6.912 -6.369 1.00 0.00 N ATOM 277 CA THR A 22 0.353 7.425 -7.196 1.00 0.00 C ATOM 278 C THR A 22 -0.108 8.665 -7.965 1.00 0.00 C ATOM 279 O THR A 22 0.582 9.683 -7.978 1.00 0.00 O ATOM 280 CB THR A 22 0.833 6.291 -8.104 1.00 0.00 C ATOM 281 OG1 THR A 22 2.254 6.380 -8.049 1.00 0.00 O ATOM 282 CG2 THR A 22 0.500 6.539 -9.576 1.00 0.00 C ATOM 0 H THR A 22 -0.786 5.895 -6.329 1.00 0.00 H new ATOM 0 HA THR A 22 1.196 7.753 -6.588 1.00 0.00 H new ATOM 0 HB THR A 22 0.380 5.353 -7.783 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.648 5.679 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.862 5.705 -10.177 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.580 6.629 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.980 7.460 -9.907 1.00 0.00 H new ATOM 290 N SER A 23 -1.271 8.538 -8.586 1.00 0.00 N ATOM 291 CA SER A 23 -1.832 9.636 -9.355 1.00 0.00 C ATOM 292 C SER A 23 -1.895 10.900 -8.495 1.00 0.00 C ATOM 293 O SER A 23 -1.195 11.874 -8.766 1.00 0.00 O ATOM 294 CB SER A 23 -3.225 9.284 -9.883 1.00 0.00 C ATOM 295 OG SER A 23 -3.208 8.113 -10.695 1.00 0.00 O ATOM 0 H SER A 23 -1.840 7.692 -8.573 1.00 0.00 H new ATOM 0 HA SER A 23 -1.183 9.819 -10.212 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.903 9.133 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.615 10.121 -10.462 1.00 0.00 H new ATOM 0 HG SER A 23 -2.994 7.334 -10.141 1.00 0.00 H new ATOM 301 N LYS A 24 -2.739 10.842 -7.475 1.00 0.00 N ATOM 302 CA LYS A 24 -2.902 11.970 -6.574 1.00 0.00 C ATOM 303 C LYS A 24 -1.523 12.492 -6.163 1.00 0.00 C ATOM 304 O LYS A 24 -1.327 13.699 -6.031 1.00 0.00 O ATOM 305 CB LYS A 24 -3.791 11.585 -5.390 1.00 0.00 C ATOM 306 CG LYS A 24 -5.272 11.694 -5.758 1.00 0.00 C ATOM 307 CD LYS A 24 -5.857 10.320 -6.090 1.00 0.00 C ATOM 308 CE LYS A 24 -6.439 10.298 -7.505 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.918 10.289 -7.456 1.00 0.00 N ATOM 0 H LYS A 24 -3.317 10.031 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.417 12.789 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.564 10.566 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.575 12.235 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.824 12.138 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.390 12.360 -6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.081 9.559 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.635 10.068 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.093 11.169 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.081 9.417 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.298 10.325 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.245 9.419 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.253 11.116 -6.922 1.00 0.00 H new ATOM 323 N ILE A 25 -0.604 11.557 -5.973 1.00 0.00 N ATOM 324 CA ILE A 25 0.750 11.908 -5.580 1.00 0.00 C ATOM 325 C ILE A 25 1.426 12.671 -6.721 1.00 0.00 C ATOM 326 O ILE A 25 2.183 13.611 -6.482 1.00 0.00 O ATOM 327 CB ILE A 25 1.518 10.662 -5.134 1.00 0.00 C ATOM 328 CG1 ILE A 25 0.949 10.106 -3.827 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.017 10.950 -5.030 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.431 8.674 -3.585 1.00 0.00 C ATOM 0 H ILE A 25 -0.770 10.557 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 25 0.736 12.572 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 25 1.390 9.891 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.252 10.741 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.140 10.126 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.540 10.048 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.396 11.264 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.185 11.743 -4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.012 8.302 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.105 8.037 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.519 8.662 -3.526 1.00 0.00 H new ATOM 342 N ALA A 26 1.128 12.239 -7.938 1.00 0.00 N ATOM 343 CA ALA A 26 1.697 12.870 -9.116 1.00 0.00 C ATOM 344 C ALA A 26 0.960 14.181 -9.394 1.00 0.00 C ATOM 345 O ALA A 26 1.412 14.993 -10.200 1.00 0.00 O ATOM 346 CB ALA A 26 1.628 11.900 -10.298 1.00 0.00 C ATOM 0 H ALA A 26 0.500 11.459 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 26 2.747 13.111 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.055 12.373 -11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.192 10.998 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.588 11.638 -10.493 1.00 0.00 H new ATOM 352 N ARG A 27 -0.163 14.348 -8.710 1.00 0.00 N ATOM 353 CA ARG A 27 -0.967 15.547 -8.873 1.00 0.00 C ATOM 354 C ARG A 27 -0.661 16.547 -7.755 1.00 0.00 C ATOM 355 O ARG A 27 -0.953 17.735 -7.884 1.00 0.00 O ATOM 356 CB ARG A 27 -2.460 15.215 -8.856 1.00 0.00 C ATOM 357 CG ARG A 27 -2.927 14.717 -10.225 1.00 0.00 C ATOM 358 CD ARG A 27 -4.321 15.252 -10.558 1.00 0.00 C ATOM 359 NE ARG A 27 -4.911 14.470 -11.667 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.305 13.194 -11.561 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.174 12.547 -10.394 1.00 0.00 N ATOM 362 NH2 ARG A 27 -5.830 12.564 -12.620 1.00 0.00 N ATOM 0 H ARG A 27 -0.535 13.673 -8.042 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.715 15.987 -9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.658 14.454 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.030 16.100 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.220 15.034 -10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.940 13.627 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.962 15.192 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.259 16.304 -10.836 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.025 14.932 -12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.774 13.026 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.474 11.575 -10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.930 13.056 -13.508 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.130 11.592 -12.538 1.00 0.00 H new ATOM 376 N VAL A 28 -0.077 16.029 -6.685 1.00 0.00 N ATOM 377 CA VAL A 28 0.272 16.862 -5.546 1.00 0.00 C ATOM 378 C VAL A 28 1.084 18.065 -6.029 1.00 0.00 C ATOM 379 O VAL A 28 0.767 19.206 -5.697 1.00 0.00 O ATOM 380 CB VAL A 28 1.006 16.028 -4.494 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.201 16.795 -3.923 1.00 0.00 C ATOM 382 CG2 VAL A 28 0.054 15.589 -3.380 1.00 0.00 C ATOM 0 H VAL A 28 0.163 15.043 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.627 17.249 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 28 1.386 15.131 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.705 16.180 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.897 17.035 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.853 17.717 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.601 14.998 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.369 16.469 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.750 14.987 -3.804 1.00 0.00 H new ATOM 392 N PRO A 29 2.143 17.761 -6.827 1.00 0.00 N ATOM 393 CA PRO A 29 3.002 18.805 -7.359 1.00 0.00 C ATOM 394 C PRO A 29 2.313 19.554 -8.501 1.00 0.00 C ATOM 395 O PRO A 29 2.905 20.442 -9.113 1.00 0.00 O ATOM 396 CB PRO A 29 4.267 18.086 -7.799 1.00 0.00 C ATOM 397 CG PRO A 29 3.890 16.619 -7.927 1.00 0.00 C ATOM 398 CD PRO A 29 2.548 16.421 -7.242 1.00 0.00 C ATOM 0 HA PRO A 29 3.232 19.576 -6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.630 18.480 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.067 18.222 -7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.829 16.331 -8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.650 15.988 -7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.818 15.979 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.635 15.751 -6.387 1.00 0.00 H new ATOM 406 N ARG A 30 1.071 19.169 -8.754 1.00 0.00 N ATOM 407 CA ARG A 30 0.294 19.793 -9.812 1.00 0.00 C ATOM 408 C ARG A 30 -1.066 20.244 -9.276 1.00 0.00 C ATOM 409 O ARG A 30 -2.009 20.431 -10.044 1.00 0.00 O ATOM 410 CB ARG A 30 0.080 18.829 -10.981 1.00 0.00 C ATOM 411 CG ARG A 30 1.351 18.697 -11.822 1.00 0.00 C ATOM 412 CD ARG A 30 1.156 17.690 -12.957 1.00 0.00 C ATOM 413 NE ARG A 30 0.338 18.292 -14.033 1.00 0.00 N ATOM 414 CZ ARG A 30 -0.233 17.594 -15.023 1.00 0.00 C ATOM 415 NH1 ARG A 30 -0.079 16.264 -15.080 1.00 0.00 N ATOM 416 NH2 ARG A 30 -0.958 18.225 -15.957 1.00 0.00 N ATOM 0 H ARG A 30 0.583 18.432 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 30 0.853 20.658 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.212 17.850 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.739 19.186 -11.606 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.620 19.669 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.179 18.380 -11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.124 17.384 -13.353 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.669 16.792 -12.578 1.00 0.00 H new ATOM 0 HE ARG A 30 0.200 19.303 -14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.473 15.784 -14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.514 15.732 -15.834 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.075 19.237 -15.914 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.393 17.693 -16.711 1.00 0.00 H new ATOM 430 N LEU A 31 -1.125 20.406 -7.962 1.00 0.00 N ATOM 431 CA LEU A 31 -2.354 20.831 -7.315 1.00 0.00 C ATOM 432 C LEU A 31 -2.073 22.065 -6.456 1.00 0.00 C ATOM 433 O LEU A 31 -0.927 22.322 -6.088 1.00 0.00 O ATOM 434 CB LEU A 31 -2.980 19.671 -6.538 1.00 0.00 C ATOM 435 CG LEU A 31 -3.672 18.596 -7.379 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.864 17.309 -6.575 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.992 19.115 -7.953 1.00 0.00 C ATOM 0 H LEU A 31 -0.341 20.250 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.095 21.122 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.200 19.194 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.708 20.080 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.026 18.355 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.358 16.562 -7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.893 16.931 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.478 17.516 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.464 18.332 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.656 19.402 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.798 19.982 -8.585 1.00 0.00 H new ATOM 449 N PRO A 32 -3.165 22.816 -6.153 1.00 0.00 N ATOM 450 CA PRO A 32 -3.047 24.017 -5.344 1.00 0.00 C ATOM 451 C PRO A 32 -2.836 23.667 -3.870 1.00 0.00 C ATOM 452 O PRO A 32 -2.941 22.504 -3.483 1.00 0.00 O ATOM 453 CB PRO A 32 -4.333 24.788 -5.593 1.00 0.00 C ATOM 454 CG PRO A 32 -5.319 23.780 -6.162 1.00 0.00 C ATOM 455 CD PRO A 32 -4.537 22.543 -6.571 1.00 0.00 C ATOM 0 HA PRO A 32 -2.179 24.620 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.711 25.226 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.167 25.609 -6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.076 23.525 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.843 24.201 -7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.928 21.649 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.597 22.374 -7.646 1.00 0.00 H new ATOM 463 N PRO A 33 -2.535 24.722 -3.066 1.00 0.00 N ATOM 464 CA PRO A 33 -2.309 24.537 -1.642 1.00 0.00 C ATOM 465 C PRO A 33 -3.628 24.305 -0.903 1.00 0.00 C ATOM 466 O PRO A 33 -3.645 24.192 0.322 1.00 0.00 O ATOM 467 CB PRO A 33 -1.588 25.797 -1.192 1.00 0.00 C ATOM 468 CG PRO A 33 -1.850 26.835 -2.271 1.00 0.00 C ATOM 469 CD PRO A 33 -2.402 26.113 -3.489 1.00 0.00 C ATOM 0 HA PRO A 33 -1.712 23.652 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.960 26.136 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.520 25.615 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.559 27.583 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.930 27.363 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.363 26.528 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.730 26.205 -4.342 1.00 0.00 H new ATOM 477 N ASP A 34 -4.701 24.243 -1.678 1.00 0.00 N ATOM 478 CA ASP A 34 -6.021 24.027 -1.112 1.00 0.00 C ATOM 479 C ASP A 34 -6.383 22.545 -1.223 1.00 0.00 C ATOM 480 O ASP A 34 -6.794 21.926 -0.242 1.00 0.00 O ATOM 481 CB ASP A 34 -7.082 24.831 -1.866 1.00 0.00 C ATOM 482 CG ASP A 34 -7.440 26.179 -1.237 1.00 0.00 C ATOM 483 OD1 ASP A 34 -7.334 26.272 0.005 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.810 27.087 -2.013 1.00 0.00 O ATOM 0 H ASP A 34 -4.683 24.339 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.998 24.348 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.731 25.004 -2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.988 24.229 -1.940 1.00 0.00 H new ATOM 489 N GLU A 35 -6.218 22.017 -2.427 1.00 0.00 N ATOM 490 CA GLU A 35 -6.522 20.619 -2.680 1.00 0.00 C ATOM 491 C GLU A 35 -5.320 19.741 -2.324 1.00 0.00 C ATOM 492 O GLU A 35 -5.486 18.605 -1.884 1.00 0.00 O ATOM 493 CB GLU A 35 -6.946 20.404 -4.135 1.00 0.00 C ATOM 494 CG GLU A 35 -8.325 21.013 -4.399 1.00 0.00 C ATOM 495 CD GLU A 35 -9.379 19.921 -4.588 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.924 19.474 -3.555 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.617 19.557 -5.760 1.00 0.00 O ATOM 0 H GLU A 35 -5.877 22.533 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.360 20.329 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.211 20.855 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.967 19.337 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.608 21.656 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.285 21.642 -5.288 1.00 0.00 H new ATOM 504 N LYS A 36 -4.137 20.302 -2.528 1.00 0.00 N ATOM 505 CA LYS A 36 -2.909 19.585 -2.234 1.00 0.00 C ATOM 506 C LYS A 36 -2.950 19.082 -0.790 1.00 0.00 C ATOM 507 O LYS A 36 -2.861 17.879 -0.545 1.00 0.00 O ATOM 508 CB LYS A 36 -1.691 20.457 -2.546 1.00 0.00 C ATOM 509 CG LYS A 36 -0.392 19.742 -2.168 1.00 0.00 C ATOM 510 CD LYS A 36 0.824 20.478 -2.734 1.00 0.00 C ATOM 511 CE LYS A 36 2.004 20.414 -1.763 1.00 0.00 C ATOM 512 NZ LYS A 36 2.622 21.750 -1.609 1.00 0.00 N ATOM 0 H LYS A 36 -4.003 21.245 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.818 18.708 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.679 20.704 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.764 21.398 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.310 19.678 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.412 18.720 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.109 20.036 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.565 21.519 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.665 20.050 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.746 19.704 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.421 21.688 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.963 22.083 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.916 22.418 -1.239 1.00 0.00 H new ATOM 526 N LYS A 37 -3.085 20.027 0.129 1.00 0.00 N ATOM 527 CA LYS A 37 -3.139 19.694 1.543 1.00 0.00 C ATOM 528 C LYS A 37 -3.966 18.420 1.731 1.00 0.00 C ATOM 529 O LYS A 37 -3.482 17.440 2.295 1.00 0.00 O ATOM 530 CB LYS A 37 -3.652 20.885 2.354 1.00 0.00 C ATOM 531 CG LYS A 37 -2.746 21.161 3.556 1.00 0.00 C ATOM 532 CD LYS A 37 -2.185 22.583 3.505 1.00 0.00 C ATOM 533 CE LYS A 37 -0.853 22.620 2.754 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.776 23.823 1.895 1.00 0.00 N ATOM 0 H LYS A 37 -3.159 21.023 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.139 19.485 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.698 21.769 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.667 20.686 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.308 21.021 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.926 20.443 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.901 23.243 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.046 22.959 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.027 22.620 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.748 21.723 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.011 23.705 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.680 23.952 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.583 24.658 2.484 1.00 0.00 H new ATOM 548 N GLN A 38 -5.198 18.476 1.248 1.00 0.00 N ATOM 549 CA GLN A 38 -6.096 17.339 1.356 1.00 0.00 C ATOM 550 C GLN A 38 -5.475 16.107 0.694 1.00 0.00 C ATOM 551 O GLN A 38 -5.406 15.040 1.301 1.00 0.00 O ATOM 552 CB GLN A 38 -7.462 17.659 0.746 1.00 0.00 C ATOM 553 CG GLN A 38 -8.086 18.887 1.412 1.00 0.00 C ATOM 554 CD GLN A 38 -8.457 18.592 2.867 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.425 17.912 3.162 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.635 19.141 3.757 1.00 0.00 N ATOM 0 H GLN A 38 -5.596 19.291 0.781 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.249 17.121 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.354 17.837 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.125 16.802 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.386 19.721 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.976 19.192 0.861 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.842 19.700 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.798 19.003 4.754 1.00 0.00 H new ATOM 565 N MET A 39 -5.040 16.296 -0.543 1.00 0.00 N ATOM 566 CA MET A 39 -4.427 15.214 -1.295 1.00 0.00 C ATOM 567 C MET A 39 -3.240 14.621 -0.533 1.00 0.00 C ATOM 568 O MET A 39 -3.057 13.405 -0.511 1.00 0.00 O ATOM 569 CB MET A 39 -3.953 15.738 -2.652 1.00 0.00 C ATOM 570 CG MET A 39 -3.274 14.631 -3.461 1.00 0.00 C ATOM 571 SD MET A 39 -3.771 14.734 -5.172 1.00 0.00 S ATOM 572 CE MET A 39 -5.546 14.743 -4.980 1.00 0.00 C ATOM 0 H MET A 39 -5.100 17.183 -1.044 1.00 0.00 H new ATOM 0 HA MET A 39 -5.171 14.430 -1.439 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.802 16.132 -3.210 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.257 16.564 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.191 14.724 -3.382 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.541 13.656 -3.054 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.012 14.365 -5.890 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.824 14.108 -4.139 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.887 15.762 -4.794 1.00 0.00 H new ATOM 582 N VAL A 40 -2.464 15.508 0.072 1.00 0.00 N ATOM 583 CA VAL A 40 -1.300 15.088 0.833 1.00 0.00 C ATOM 584 C VAL A 40 -1.758 14.378 2.108 1.00 0.00 C ATOM 585 O VAL A 40 -0.942 13.819 2.840 1.00 0.00 O ATOM 586 CB VAL A 40 -0.395 16.290 1.111 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.739 15.913 2.067 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.157 16.873 -0.192 1.00 0.00 C ATOM 0 H VAL A 40 -2.619 16.516 0.051 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.706 14.376 0.260 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.998 17.059 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.367 16.785 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.319 15.566 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.340 15.119 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.797 17.726 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.737 16.112 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.669 17.197 -0.825 1.00 0.00 H new ATOM 598 N ALA A 41 -3.062 14.422 2.336 1.00 0.00 N ATOM 599 CA ALA A 41 -3.639 13.789 3.510 1.00 0.00 C ATOM 600 C ALA A 41 -4.391 12.526 3.086 1.00 0.00 C ATOM 601 O ALA A 41 -4.225 11.468 3.691 1.00 0.00 O ATOM 602 CB ALA A 41 -4.541 14.789 4.237 1.00 0.00 C ATOM 0 H ALA A 41 -3.736 14.886 1.727 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.857 13.488 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.974 14.315 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.953 15.654 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.340 15.111 3.569 1.00 0.00 H new ATOM 608 N ASN A 42 -5.203 12.679 2.050 1.00 0.00 N ATOM 609 CA ASN A 42 -5.981 11.564 1.539 1.00 0.00 C ATOM 610 C ASN A 42 -5.047 10.391 1.238 1.00 0.00 C ATOM 611 O ASN A 42 -5.385 9.239 1.504 1.00 0.00 O ATOM 612 CB ASN A 42 -6.698 11.942 0.241 1.00 0.00 C ATOM 613 CG ASN A 42 -7.801 10.934 -0.090 1.00 0.00 C ATOM 614 OD1 ASN A 42 -7.717 10.174 -1.040 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.836 10.971 0.745 1.00 0.00 N ATOM 0 H ASN A 42 -5.339 13.558 1.551 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.719 11.294 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.128 12.939 0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.979 11.982 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.624 10.337 0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.842 11.633 1.521 1.00 0.00 H new ATOM 622 N VAL A 43 -3.889 10.725 0.686 1.00 0.00 N ATOM 623 CA VAL A 43 -2.903 9.713 0.346 1.00 0.00 C ATOM 624 C VAL A 43 -2.386 9.059 1.629 1.00 0.00 C ATOM 625 O VAL A 43 -2.189 7.845 1.675 1.00 0.00 O ATOM 626 CB VAL A 43 -1.788 10.332 -0.500 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.616 9.362 -0.658 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.319 10.779 -1.864 1.00 0.00 C ATOM 0 H VAL A 43 -3.612 11.682 0.466 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.355 8.928 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.422 11.216 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.162 9.827 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.213 9.115 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.961 8.451 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.507 11.215 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.725 9.919 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.104 11.522 -1.723 1.00 0.00 H new ATOM 638 N GLU A 44 -2.182 9.891 2.639 1.00 0.00 N ATOM 639 CA GLU A 44 -1.692 9.409 3.919 1.00 0.00 C ATOM 640 C GLU A 44 -2.613 8.314 4.461 1.00 0.00 C ATOM 641 O GLU A 44 -2.177 7.451 5.222 1.00 0.00 O ATOM 642 CB GLU A 44 -1.555 10.556 4.921 1.00 0.00 C ATOM 643 CG GLU A 44 -0.349 11.436 4.586 1.00 0.00 C ATOM 644 CD GLU A 44 0.687 11.397 5.711 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.531 12.202 6.655 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.612 10.563 5.602 1.00 0.00 O ATOM 0 H GLU A 44 -2.347 10.897 2.597 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.701 8.982 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.463 11.159 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.447 10.153 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.106 11.097 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.677 12.463 4.424 1.00 0.00 H new ATOM 653 N LYS A 45 -3.870 8.384 4.049 1.00 0.00 N ATOM 654 CA LYS A 45 -4.857 7.410 4.483 1.00 0.00 C ATOM 655 C LYS A 45 -4.827 6.205 3.540 1.00 0.00 C ATOM 656 O LYS A 45 -4.613 5.076 3.977 1.00 0.00 O ATOM 657 CB LYS A 45 -6.236 8.062 4.606 1.00 0.00 C ATOM 658 CG LYS A 45 -6.678 8.138 6.069 1.00 0.00 C ATOM 659 CD LYS A 45 -5.832 9.151 6.844 1.00 0.00 C ATOM 660 CE LYS A 45 -6.703 9.986 7.785 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.767 11.390 7.323 1.00 0.00 N ATOM 0 H LYS A 45 -4.228 9.101 3.418 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.615 7.041 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.208 9.064 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.965 7.491 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.729 8.421 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.589 7.155 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.067 8.628 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.313 9.807 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.708 9.565 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.297 9.948 8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.362 11.943 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.809 11.793 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.176 11.423 6.367 1.00 0.00 H new ATOM 675 N GLN A 46 -5.046 6.488 2.264 1.00 0.00 N ATOM 676 CA GLN A 46 -5.047 5.441 1.256 1.00 0.00 C ATOM 677 C GLN A 46 -3.764 4.613 1.349 1.00 0.00 C ATOM 678 O GLN A 46 -3.755 3.434 0.999 1.00 0.00 O ATOM 679 CB GLN A 46 -5.219 6.031 -0.145 1.00 0.00 C ATOM 680 CG GLN A 46 -6.700 6.208 -0.487 1.00 0.00 C ATOM 681 CD GLN A 46 -7.492 6.681 0.734 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.577 7.861 1.032 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.065 5.697 1.421 1.00 0.00 N ATOM 0 H GLN A 46 -5.224 7.426 1.905 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.895 4.782 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.711 6.994 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.748 5.377 -0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.806 6.931 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.109 5.264 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.954 4.730 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.616 5.909 2.253 1.00 0.00 H new ATOM 692 N LEU A 47 -2.711 5.264 1.822 1.00 0.00 N ATOM 693 CA LEU A 47 -1.425 4.602 1.965 1.00 0.00 C ATOM 694 C LEU A 47 -1.503 3.587 3.107 1.00 0.00 C ATOM 695 O LEU A 47 -1.367 2.385 2.884 1.00 0.00 O ATOM 696 CB LEU A 47 -0.308 5.634 2.134 1.00 0.00 C ATOM 697 CG LEU A 47 0.265 6.220 0.843 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.269 7.334 1.144 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.872 5.124 -0.035 1.00 0.00 C ATOM 0 H LEU A 47 -2.722 6.242 2.111 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.180 4.046 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.687 6.454 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.506 5.171 2.692 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.553 6.668 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.661 7.733 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.773 8.131 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.089 6.933 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.272 5.568 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.675 4.625 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.102 4.397 -0.293 1.00 0.00 H new ATOM 711 N GLU A 48 -1.722 4.108 4.305 1.00 0.00 N ATOM 712 CA GLU A 48 -1.820 3.262 5.483 1.00 0.00 C ATOM 713 C GLU A 48 -2.855 2.158 5.259 1.00 0.00 C ATOM 714 O GLU A 48 -2.716 1.055 5.785 1.00 0.00 O ATOM 715 CB GLU A 48 -2.159 4.088 6.725 1.00 0.00 C ATOM 716 CG GLU A 48 -3.616 4.553 6.693 1.00 0.00 C ATOM 717 CD GLU A 48 -4.066 5.043 8.071 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.385 4.170 8.907 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.080 6.279 8.258 1.00 0.00 O ATOM 0 H GLU A 48 -1.834 5.106 4.486 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.850 2.795 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.983 3.493 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.499 4.953 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.730 5.355 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.256 3.733 6.368 1.00 0.00 H new ATOM 726 N GLU A 49 -3.871 2.494 4.478 1.00 0.00 N ATOM 727 CA GLU A 49 -4.930 1.545 4.178 1.00 0.00 C ATOM 728 C GLU A 49 -4.380 0.379 3.354 1.00 0.00 C ATOM 729 O GLU A 49 -4.886 -0.739 3.440 1.00 0.00 O ATOM 730 CB GLU A 49 -6.090 2.229 3.452 1.00 0.00 C ATOM 731 CG GLU A 49 -6.760 3.272 4.349 1.00 0.00 C ATOM 732 CD GLU A 49 -8.245 2.957 4.541 1.00 0.00 C ATOM 733 OE1 GLU A 49 -9.032 3.380 3.667 1.00 0.00 O ATOM 734 OE2 GLU A 49 -8.560 2.301 5.558 1.00 0.00 O ATOM 0 H GLU A 49 -3.984 3.410 4.044 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.315 1.151 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.724 2.707 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.823 1.483 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.262 3.297 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.649 4.262 3.907 1.00 0.00 H new ATOM 741 N ALA A 50 -3.351 0.679 2.576 1.00 0.00 N ATOM 742 CA ALA A 50 -2.727 -0.331 1.738 1.00 0.00 C ATOM 743 C ALA A 50 -1.659 -1.070 2.547 1.00 0.00 C ATOM 744 O ALA A 50 -1.359 -2.230 2.271 1.00 0.00 O ATOM 745 CB ALA A 50 -2.153 0.330 0.483 1.00 0.00 C ATOM 0 H ALA A 50 -2.933 1.607 2.508 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.462 -1.067 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.685 -0.428 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.956 0.816 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.409 1.073 0.771 1.00 0.00 H new ATOM 751 N ARG A 51 -1.115 -0.367 3.530 1.00 0.00 N ATOM 752 CA ARG A 51 -0.088 -0.942 4.381 1.00 0.00 C ATOM 753 C ARG A 51 -0.611 -2.208 5.064 1.00 0.00 C ATOM 754 O ARG A 51 0.126 -3.180 5.226 1.00 0.00 O ATOM 755 CB ARG A 51 0.365 0.055 5.449 1.00 0.00 C ATOM 756 CG ARG A 51 1.432 1.003 4.897 1.00 0.00 C ATOM 757 CD ARG A 51 2.648 1.059 5.824 1.00 0.00 C ATOM 758 NE ARG A 51 3.635 0.030 5.429 1.00 0.00 N ATOM 759 CZ ARG A 51 4.871 -0.061 5.937 1.00 0.00 C ATOM 760 NH1 ARG A 51 5.280 0.816 6.864 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.699 -1.028 5.519 1.00 0.00 N ATOM 0 H ARG A 51 -1.366 0.595 3.756 1.00 0.00 H new ATOM 0 HA ARG A 51 0.764 -1.192 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.491 0.631 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.762 -0.484 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.741 0.671 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.012 2.002 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.104 2.048 5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.336 0.898 6.856 1.00 0.00 H new ATOM 0 HE ARG A 51 3.356 -0.654 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.650 1.552 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.221 0.747 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.388 -1.696 4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.640 -1.096 5.906 1.00 0.00 H new ATOM 775 N GLU A 52 -1.878 -2.155 5.446 1.00 0.00 N ATOM 776 CA GLU A 52 -2.509 -3.284 6.108 1.00 0.00 C ATOM 777 C GLU A 52 -2.698 -4.439 5.122 1.00 0.00 C ATOM 778 O GLU A 52 -2.653 -5.605 5.510 1.00 0.00 O ATOM 779 CB GLU A 52 -3.842 -2.877 6.737 1.00 0.00 C ATOM 780 CG GLU A 52 -4.806 -2.336 5.678 1.00 0.00 C ATOM 781 CD GLU A 52 -6.163 -3.038 5.762 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.282 -4.118 5.144 1.00 0.00 O ATOM 783 OE2 GLU A 52 -7.049 -2.479 6.443 1.00 0.00 O ATOM 0 H GLU A 52 -2.485 -1.347 5.310 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.854 -3.621 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.290 -3.736 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.671 -2.118 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.939 -1.263 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.379 -2.479 4.685 1.00 0.00 H new ATOM 790 N LEU A 53 -2.905 -4.074 3.865 1.00 0.00 N ATOM 791 CA LEU A 53 -3.101 -5.065 2.821 1.00 0.00 C ATOM 792 C LEU A 53 -1.887 -5.995 2.771 1.00 0.00 C ATOM 793 O LEU A 53 -2.028 -7.212 2.881 1.00 0.00 O ATOM 794 CB LEU A 53 -3.408 -4.383 1.486 1.00 0.00 C ATOM 795 CG LEU A 53 -4.868 -4.428 1.030 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.247 -3.151 0.277 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.145 -5.685 0.202 1.00 0.00 C ATOM 0 H LEU A 53 -2.941 -3.106 3.546 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.969 -5.685 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.102 -3.339 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.793 -4.846 0.714 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.501 -4.479 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.290 -3.209 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.112 -2.289 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.610 -3.044 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.189 -5.693 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.503 -5.689 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.940 -6.570 0.804 1.00 0.00 H new ATOM 809 N LEU A 54 -0.722 -5.386 2.607 1.00 0.00 N ATOM 810 CA LEU A 54 0.516 -6.144 2.542 1.00 0.00 C ATOM 811 C LEU A 54 0.605 -7.073 3.754 1.00 0.00 C ATOM 812 O LEU A 54 1.146 -8.173 3.659 1.00 0.00 O ATOM 813 CB LEU A 54 1.714 -5.202 2.400 1.00 0.00 C ATOM 814 CG LEU A 54 1.745 -4.342 1.134 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.183 -4.101 0.671 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.883 -4.959 0.031 1.00 0.00 C ATOM 0 H LEU A 54 -0.609 -4.376 2.517 1.00 0.00 H new ATOM 0 HA LEU A 54 0.529 -6.776 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.735 -4.540 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.626 -5.798 2.433 1.00 0.00 H new ATOM 0 HG LEU A 54 1.316 -3.369 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.177 -3.488 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.737 -3.587 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.661 -5.057 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.922 -4.328 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.260 -5.952 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.148 -5.036 0.376 1.00 0.00 H new ATOM 828 N GLU A 55 0.065 -6.595 4.866 1.00 0.00 N ATOM 829 CA GLU A 55 0.076 -7.369 6.095 1.00 0.00 C ATOM 830 C GLU A 55 -0.785 -8.624 5.941 1.00 0.00 C ATOM 831 O GLU A 55 -0.315 -9.737 6.171 1.00 0.00 O ATOM 832 CB GLU A 55 -0.395 -6.524 7.280 1.00 0.00 C ATOM 833 CG GLU A 55 0.784 -6.114 8.165 1.00 0.00 C ATOM 834 CD GLU A 55 0.649 -6.706 9.569 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.013 -6.049 10.401 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.210 -7.804 9.778 1.00 0.00 O ATOM 0 H GLU A 55 -0.383 -5.682 4.941 1.00 0.00 H new ATOM 0 HA GLU A 55 1.102 -7.678 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.907 -5.634 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.117 -7.089 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.717 -6.451 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.835 -5.027 8.228 1.00 0.00 H new ATOM 843 N GLN A 56 -2.033 -8.403 5.551 1.00 0.00 N ATOM 844 CA GLN A 56 -2.964 -9.502 5.363 1.00 0.00 C ATOM 845 C GLN A 56 -2.479 -10.422 4.241 1.00 0.00 C ATOM 846 O GLN A 56 -2.439 -11.640 4.406 1.00 0.00 O ATOM 847 CB GLN A 56 -4.374 -8.982 5.076 1.00 0.00 C ATOM 848 CG GLN A 56 -5.031 -8.447 6.350 1.00 0.00 C ATOM 849 CD GLN A 56 -6.187 -9.347 6.791 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.333 -9.157 6.418 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.824 -10.336 7.602 1.00 0.00 N ATOM 0 H GLN A 56 -2.420 -7.479 5.360 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.006 -10.080 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.328 -8.192 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.983 -9.783 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.290 -8.384 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.399 -7.436 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.847 -10.439 7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.523 -10.992 7.951 1.00 0.00 H new ATOM 860 N MET A 57 -2.124 -9.804 3.124 1.00 0.00 N ATOM 861 CA MET A 57 -1.644 -10.552 1.975 1.00 0.00 C ATOM 862 C MET A 57 -0.471 -11.456 2.360 1.00 0.00 C ATOM 863 O MET A 57 -0.429 -12.623 1.973 1.00 0.00 O ATOM 864 CB MET A 57 -1.200 -9.579 0.881 1.00 0.00 C ATOM 865 CG MET A 57 -2.398 -8.829 0.295 1.00 0.00 C ATOM 866 SD MET A 57 -2.057 -8.356 -1.392 1.00 0.00 S ATOM 867 CE MET A 57 -1.493 -6.682 -1.137 1.00 0.00 C ATOM 0 H MET A 57 -2.159 -8.793 2.990 1.00 0.00 H new ATOM 0 HA MET A 57 -2.457 -11.179 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.485 -8.866 1.292 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.686 -10.125 0.090 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.286 -9.460 0.332 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.611 -7.943 0.894 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.228 -5.985 -1.541 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.367 -6.499 -0.070 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.539 -6.538 -1.645 1.00 0.00 H new ATOM 877 N ASP A 58 0.452 -10.883 3.119 1.00 0.00 N ATOM 878 CA ASP A 58 1.622 -11.623 3.561 1.00 0.00 C ATOM 879 C ASP A 58 1.203 -12.648 4.616 1.00 0.00 C ATOM 880 O ASP A 58 1.737 -13.756 4.657 1.00 0.00 O ATOM 881 CB ASP A 58 2.657 -10.690 4.192 1.00 0.00 C ATOM 882 CG ASP A 58 4.063 -11.279 4.324 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.706 -11.455 3.267 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.463 -11.539 5.480 1.00 0.00 O ATOM 0 H ASP A 58 0.413 -9.915 3.439 1.00 0.00 H new ATOM 0 HA ASP A 58 2.061 -12.112 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.715 -9.780 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.306 -10.400 5.182 1.00 0.00 H new ATOM 889 N LEU A 59 0.251 -12.243 5.444 1.00 0.00 N ATOM 890 CA LEU A 59 -0.246 -13.112 6.497 1.00 0.00 C ATOM 891 C LEU A 59 -1.061 -14.247 5.873 1.00 0.00 C ATOM 892 O LEU A 59 -1.463 -15.181 6.565 1.00 0.00 O ATOM 893 CB LEU A 59 -1.017 -12.303 7.541 1.00 0.00 C ATOM 894 CG LEU A 59 -0.219 -11.857 8.768 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.553 -10.412 9.143 1.00 0.00 C ATOM 896 CD2 LEU A 59 -0.433 -12.817 9.939 1.00 0.00 C ATOM 0 H LEU A 59 -0.190 -11.324 5.407 1.00 0.00 H new ATOM 0 HA LEU A 59 0.583 -13.572 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.425 -11.416 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.864 -12.899 7.880 1.00 0.00 H new ATOM 0 HG LEU A 59 0.841 -11.888 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.027 -10.120 10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.309 -9.754 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.616 -10.331 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.145 -12.477 10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.491 -12.842 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.106 -13.817 9.654 1.00 0.00 H new ATOM 908 N GLU A 60 -1.280 -14.129 4.571 1.00 0.00 N ATOM 909 CA GLU A 60 -2.040 -15.133 3.846 1.00 0.00 C ATOM 910 C GLU A 60 -1.112 -15.957 2.951 1.00 0.00 C ATOM 911 O GLU A 60 -1.235 -17.179 2.881 1.00 0.00 O ATOM 912 CB GLU A 60 -3.161 -14.488 3.029 1.00 0.00 C ATOM 913 CG GLU A 60 -4.295 -14.007 3.936 1.00 0.00 C ATOM 914 CD GLU A 60 -5.564 -14.833 3.713 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.444 -16.077 3.742 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.624 -14.201 3.517 1.00 0.00 O ATOM 0 H GLU A 60 -0.944 -13.353 4.000 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.503 -15.803 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.764 -13.647 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.548 -15.206 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.987 -14.081 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.502 -12.955 3.739 1.00 0.00 H new ATOM 923 N VAL A 61 -0.204 -15.255 2.289 1.00 0.00 N ATOM 924 CA VAL A 61 0.744 -15.906 1.401 1.00 0.00 C ATOM 925 C VAL A 61 1.412 -17.068 2.139 1.00 0.00 C ATOM 926 O VAL A 61 1.914 -17.999 1.512 1.00 0.00 O ATOM 927 CB VAL A 61 1.746 -14.882 0.865 1.00 0.00 C ATOM 928 CG1 VAL A 61 3.145 -15.492 0.753 1.00 0.00 C ATOM 929 CG2 VAL A 61 1.286 -14.316 -0.480 1.00 0.00 C ATOM 0 H VAL A 61 -0.105 -14.242 2.350 1.00 0.00 H new ATOM 0 HA VAL A 61 0.232 -16.324 0.534 1.00 0.00 H new ATOM 0 HB VAL A 61 1.795 -14.057 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.839 -14.744 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.477 -15.824 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.117 -16.343 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.016 -13.591 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.194 -15.126 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.319 -13.827 -0.358 1.00 0.00 H new ATOM 939 N ARG A 62 1.397 -16.974 3.461 1.00 0.00 N ATOM 940 CA ARG A 62 1.995 -18.006 4.291 1.00 0.00 C ATOM 941 C ARG A 62 1.295 -19.346 4.059 1.00 0.00 C ATOM 942 O ARG A 62 1.950 -20.377 3.917 1.00 0.00 O ATOM 943 CB ARG A 62 1.905 -17.641 5.774 1.00 0.00 C ATOM 944 CG ARG A 62 3.298 -17.433 6.373 1.00 0.00 C ATOM 945 CD ARG A 62 3.215 -16.687 7.706 1.00 0.00 C ATOM 946 NE ARG A 62 4.571 -16.514 8.274 1.00 0.00 N ATOM 947 CZ ARG A 62 4.816 -16.240 9.563 1.00 0.00 C ATOM 948 NH1 ARG A 62 3.799 -16.106 10.425 1.00 0.00 N ATOM 949 NH2 ARG A 62 6.079 -16.100 9.989 1.00 0.00 N ATOM 0 H ARG A 62 0.980 -16.199 3.977 1.00 0.00 H new ATOM 0 HA ARG A 62 3.045 -18.088 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.315 -16.733 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.386 -18.432 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.782 -18.398 6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.918 -16.870 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.746 -15.714 7.559 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.587 -17.241 8.404 1.00 0.00 H new ATOM 0 HE ARG A 62 5.369 -16.609 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.838 -16.213 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.986 -15.898 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.853 -16.202 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.266 -15.891 10.970 1.00 0.00 H new ATOM 963 N GLU A 63 -0.029 -19.288 4.029 1.00 0.00 N ATOM 964 CA GLU A 63 -0.826 -20.485 3.818 1.00 0.00 C ATOM 965 C GLU A 63 -0.683 -20.969 2.373 1.00 0.00 C ATOM 966 O GLU A 63 -0.776 -22.165 2.103 1.00 0.00 O ATOM 967 CB GLU A 63 -2.293 -20.236 4.170 1.00 0.00 C ATOM 968 CG GLU A 63 -2.512 -20.299 5.683 1.00 0.00 C ATOM 969 CD GLU A 63 -2.865 -21.720 6.127 1.00 0.00 C ATOM 970 OE1 GLU A 63 -1.912 -22.486 6.390 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.079 -22.009 6.193 1.00 0.00 O ATOM 0 H GLU A 63 -0.569 -18.431 4.147 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.456 -21.267 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.600 -19.260 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.920 -20.979 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.611 -19.966 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.313 -19.616 5.967 1.00 0.00 H new ATOM 978 N ILE A 64 -0.460 -20.014 1.482 1.00 0.00 N ATOM 979 CA ILE A 64 -0.304 -20.327 0.072 1.00 0.00 C ATOM 980 C ILE A 64 0.795 -21.379 -0.093 1.00 0.00 C ATOM 981 O ILE A 64 1.800 -21.348 0.615 1.00 0.00 O ATOM 982 CB ILE A 64 -0.062 -19.052 -0.737 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.269 -18.116 -0.660 1.00 0.00 C ATOM 984 CG2 ILE A 64 0.316 -19.383 -2.182 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.216 -17.059 -1.765 1.00 0.00 C ATOM 0 H ILE A 64 -0.384 -19.023 1.710 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.222 -20.759 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 64 0.783 -18.523 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.188 -18.695 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.293 -17.628 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.483 -18.459 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.227 -19.981 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.492 -19.945 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.086 -16.407 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.308 -16.466 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.217 -17.550 -2.738 1.00 0.00 H new ATOM 997 N PRO A 65 0.561 -22.309 -1.058 1.00 0.00 N ATOM 998 CA PRO A 65 1.519 -23.368 -1.325 1.00 0.00 C ATOM 999 C PRO A 65 2.731 -22.830 -2.090 1.00 0.00 C ATOM 1000 O PRO A 65 2.675 -21.744 -2.665 1.00 0.00 O ATOM 1001 CB PRO A 65 0.741 -24.414 -2.106 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.488 -23.702 -2.647 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.619 -22.376 -1.916 1.00 0.00 C ATOM 0 HA PRO A 65 1.936 -23.798 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.343 -24.824 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.458 -25.249 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.392 -23.538 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.379 -24.311 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.649 -21.540 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.537 -22.335 -1.330 1.00 0.00 H new ATOM 1011 N PRO A 66 3.826 -23.636 -2.071 1.00 0.00 N ATOM 1012 CA PRO A 66 5.049 -23.253 -2.755 1.00 0.00 C ATOM 1013 C PRO A 66 4.907 -23.424 -4.269 1.00 0.00 C ATOM 1014 O PRO A 66 5.844 -23.152 -5.018 1.00 0.00 O ATOM 1015 CB PRO A 66 6.129 -24.140 -2.156 1.00 0.00 C ATOM 1016 CG PRO A 66 5.399 -25.300 -1.499 1.00 0.00 C ATOM 1017 CD PRO A 66 3.928 -24.929 -1.400 1.00 0.00 C ATOM 0 HA PRO A 66 5.295 -22.200 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.814 -24.495 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.726 -23.591 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.524 -26.211 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.810 -25.498 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.298 -25.676 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.605 -24.863 -0.361 1.00 0.00 H new ATOM 1025 N GLN A 67 3.728 -23.872 -4.673 1.00 0.00 N ATOM 1026 CA GLN A 67 3.451 -24.082 -6.084 1.00 0.00 C ATOM 1027 C GLN A 67 2.732 -22.866 -6.671 1.00 0.00 C ATOM 1028 O GLN A 67 2.784 -22.631 -7.877 1.00 0.00 O ATOM 1029 CB GLN A 67 2.635 -25.358 -6.299 1.00 0.00 C ATOM 1030 CG GLN A 67 2.879 -25.937 -7.694 1.00 0.00 C ATOM 1031 CD GLN A 67 3.176 -27.436 -7.623 1.00 0.00 C ATOM 1032 OE1 GLN A 67 4.288 -27.886 -7.848 1.00 0.00 O ATOM 1033 NE2 GLN A 67 2.124 -28.181 -7.296 1.00 0.00 N ATOM 0 H GLN A 67 2.953 -24.096 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 67 4.400 -24.205 -6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.902 -26.096 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.574 -25.141 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.004 -25.766 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.715 -25.419 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.221 -27.740 -7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.220 -29.194 -7.220 1.00 0.00 H new ATOM 1042 N SER A 68 2.076 -22.125 -5.790 1.00 0.00 N ATOM 1043 CA SER A 68 1.347 -20.939 -6.205 1.00 0.00 C ATOM 1044 C SER A 68 2.112 -19.681 -5.788 1.00 0.00 C ATOM 1045 O SER A 68 2.243 -18.742 -6.571 1.00 0.00 O ATOM 1046 CB SER A 68 -0.064 -20.923 -5.612 1.00 0.00 C ATOM 1047 OG SER A 68 -0.765 -19.725 -5.932 1.00 0.00 O ATOM 0 H SER A 68 2.034 -22.323 -4.790 1.00 0.00 H new ATOM 0 HA SER A 68 1.255 -20.958 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.624 -21.781 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.003 -21.029 -4.529 1.00 0.00 H new ATOM 0 HG SER A 68 -1.661 -19.755 -5.537 1.00 0.00 H new ATOM 1053 N ARG A 69 2.596 -19.704 -4.555 1.00 0.00 N ATOM 1054 CA ARG A 69 3.345 -18.577 -4.024 1.00 0.00 C ATOM 1055 C ARG A 69 4.346 -18.069 -5.062 1.00 0.00 C ATOM 1056 O ARG A 69 4.630 -16.874 -5.123 1.00 0.00 O ATOM 1057 CB ARG A 69 4.095 -18.966 -2.749 1.00 0.00 C ATOM 1058 CG ARG A 69 3.475 -18.297 -1.521 1.00 0.00 C ATOM 1059 CD ARG A 69 4.447 -18.309 -0.340 1.00 0.00 C ATOM 1060 NE ARG A 69 5.462 -17.245 -0.509 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.466 -17.021 0.350 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.594 -17.784 1.444 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.340 -16.033 0.116 1.00 0.00 N ATOM 0 H ARG A 69 2.484 -20.485 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 69 2.632 -17.788 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.074 -20.049 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.142 -18.675 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.202 -17.269 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.556 -18.815 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.902 -18.158 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.935 -19.281 -0.270 1.00 0.00 H new ATOM 0 HE ARG A 69 5.393 -16.645 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.927 -18.535 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.358 -17.614 2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.241 -15.451 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.104 -15.863 0.770 1.00 0.00 H new ATOM 1077 N GLY A 70 4.855 -19.002 -5.854 1.00 0.00 N ATOM 1078 CA GLY A 70 5.819 -18.663 -6.887 1.00 0.00 C ATOM 1079 C GLY A 70 5.458 -17.338 -7.560 1.00 0.00 C ATOM 1080 O GLY A 70 6.339 -16.545 -7.890 1.00 0.00 O ATOM 0 H GLY A 70 4.618 -19.993 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.816 -18.594 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.852 -19.457 -7.633 1.00 0.00 H new ATOM 1084 N MET A 71 4.161 -17.138 -7.744 1.00 0.00 N ATOM 1085 CA MET A 71 3.674 -15.922 -8.372 1.00 0.00 C ATOM 1086 C MET A 71 3.475 -14.812 -7.338 1.00 0.00 C ATOM 1087 O MET A 71 4.100 -13.757 -7.426 1.00 0.00 O ATOM 1088 CB MET A 71 2.345 -16.208 -9.075 1.00 0.00 C ATOM 1089 CG MET A 71 2.540 -16.325 -10.588 1.00 0.00 C ATOM 1090 SD MET A 71 3.060 -17.980 -11.011 1.00 0.00 S ATOM 1091 CE MET A 71 4.399 -17.608 -12.131 1.00 0.00 C ATOM 0 H MET A 71 3.433 -17.797 -7.469 1.00 0.00 H new ATOM 0 HA MET A 71 4.416 -15.588 -9.098 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.916 -17.132 -8.687 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.635 -15.410 -8.857 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.610 -16.085 -11.102 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.285 -15.604 -10.924 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.840 -18.537 -12.493 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.018 -17.034 -12.976 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.158 -17.025 -11.610 1.00 0.00 H new ATOM 1101 N TYR A 72 2.602 -15.089 -6.380 1.00 0.00 N ATOM 1102 CA TYR A 72 2.313 -14.127 -5.330 1.00 0.00 C ATOM 1103 C TYR A 72 3.603 -13.530 -4.764 1.00 0.00 C ATOM 1104 O TYR A 72 3.715 -12.314 -4.616 1.00 0.00 O ATOM 1105 CB TYR A 72 1.600 -14.910 -4.226 1.00 0.00 C ATOM 1106 CG TYR A 72 0.658 -14.061 -3.369 1.00 0.00 C ATOM 1107 CD1 TYR A 72 1.093 -12.857 -2.853 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.625 -14.499 -3.112 1.00 0.00 C ATOM 1109 CE1 TYR A 72 0.207 -12.058 -2.047 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.511 -13.700 -2.306 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.051 -12.519 -1.813 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.888 -11.764 -1.052 1.00 0.00 O ATOM 0 H TYR A 72 2.086 -15.966 -6.309 1.00 0.00 H new ATOM 0 HA TYR A 72 1.709 -13.306 -5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.030 -15.721 -4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.348 -15.369 -3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.097 -12.514 -3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.965 -15.441 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.534 -11.114 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.518 -14.031 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.753 -12.217 -0.970 1.00 0.00 H new ATOM 1122 N SER A 73 4.543 -14.413 -4.461 1.00 0.00 N ATOM 1123 CA SER A 73 5.820 -13.988 -3.914 1.00 0.00 C ATOM 1124 C SER A 73 6.438 -12.909 -4.806 1.00 0.00 C ATOM 1125 O SER A 73 6.735 -11.809 -4.341 1.00 0.00 O ATOM 1126 CB SER A 73 6.779 -15.171 -3.771 1.00 0.00 C ATOM 1127 OG SER A 73 8.093 -14.753 -3.410 1.00 0.00 O ATOM 0 H SER A 73 4.446 -15.421 -4.584 1.00 0.00 H new ATOM 0 HA SER A 73 5.646 -13.574 -2.921 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.397 -15.858 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.819 -15.721 -4.711 1.00 0.00 H new ATOM 0 HG SER A 73 8.675 -15.537 -3.327 1.00 0.00 H new ATOM 1133 N ASN A 74 6.614 -13.260 -6.071 1.00 0.00 N ATOM 1134 CA ASN A 74 7.191 -12.335 -7.032 1.00 0.00 C ATOM 1135 C ASN A 74 6.487 -10.982 -6.917 1.00 0.00 C ATOM 1136 O ASN A 74 7.124 -9.936 -7.023 1.00 0.00 O ATOM 1137 CB ASN A 74 7.008 -12.843 -8.463 1.00 0.00 C ATOM 1138 CG ASN A 74 8.341 -12.859 -9.214 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.167 -11.971 -9.083 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.503 -13.915 -10.006 1.00 0.00 N ATOM 0 H ASN A 74 6.367 -14.173 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 74 8.255 -12.243 -6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.585 -13.847 -8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.297 -12.207 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.359 -14.018 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.771 -14.622 -10.069 1.00 0.00 H new ATOM 1147 N ARG A 75 5.181 -11.047 -6.701 1.00 0.00 N ATOM 1148 CA ARG A 75 4.384 -9.839 -6.570 1.00 0.00 C ATOM 1149 C ARG A 75 4.674 -9.153 -5.233 1.00 0.00 C ATOM 1150 O ARG A 75 4.908 -7.946 -5.188 1.00 0.00 O ATOM 1151 CB ARG A 75 2.889 -10.153 -6.660 1.00 0.00 C ATOM 1152 CG ARG A 75 2.442 -10.281 -8.117 1.00 0.00 C ATOM 1153 CD ARG A 75 2.229 -8.904 -8.748 1.00 0.00 C ATOM 1154 NE ARG A 75 0.870 -8.817 -9.327 1.00 0.00 N ATOM 1155 CZ ARG A 75 0.385 -7.733 -9.948 1.00 0.00 C ATOM 1156 NH1 ARG A 75 1.146 -6.637 -10.073 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -0.860 -7.744 -10.442 1.00 0.00 N ATOM 0 H ARG A 75 4.655 -11.917 -6.614 1.00 0.00 H new ATOM 0 HA ARG A 75 4.654 -9.173 -7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.676 -11.080 -6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.318 -9.365 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.192 -10.833 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.517 -10.855 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.364 -8.126 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.975 -8.731 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 75 0.264 -9.634 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.094 -6.628 -9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.778 -5.812 -10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.440 -8.578 -10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.228 -6.919 -10.915 1.00 0.00 H new ATOM 1171 N MET A 76 4.650 -9.953 -4.177 1.00 0.00 N ATOM 1172 CA MET A 76 4.907 -9.438 -2.843 1.00 0.00 C ATOM 1173 C MET A 76 6.087 -8.464 -2.849 1.00 0.00 C ATOM 1174 O MET A 76 5.943 -7.306 -2.460 1.00 0.00 O ATOM 1175 CB MET A 76 5.211 -10.601 -1.896 1.00 0.00 C ATOM 1176 CG MET A 76 3.931 -11.122 -1.240 1.00 0.00 C ATOM 1177 SD MET A 76 3.662 -10.293 0.318 1.00 0.00 S ATOM 1178 CE MET A 76 2.012 -9.666 0.054 1.00 0.00 C ATOM 0 H MET A 76 4.457 -10.954 -4.218 1.00 0.00 H new ATOM 0 HA MET A 76 4.020 -8.903 -2.504 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.695 -11.407 -2.448 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.911 -10.275 -1.127 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.080 -10.956 -1.901 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.006 -12.198 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.819 -8.847 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.920 -9.305 -0.970 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.288 -10.463 0.224 1.00 0.00 H new ATOM 1188 N ARG A 77 7.227 -8.968 -3.296 1.00 0.00 N ATOM 1189 CA ARG A 77 8.431 -8.157 -3.359 1.00 0.00 C ATOM 1190 C ARG A 77 8.142 -6.832 -4.066 1.00 0.00 C ATOM 1191 O ARG A 77 8.458 -5.764 -3.544 1.00 0.00 O ATOM 1192 CB ARG A 77 9.551 -8.890 -4.101 1.00 0.00 C ATOM 1193 CG ARG A 77 10.397 -9.721 -3.134 1.00 0.00 C ATOM 1194 CD ARG A 77 11.778 -9.093 -2.935 1.00 0.00 C ATOM 1195 NE ARG A 77 12.832 -10.055 -3.327 1.00 0.00 N ATOM 1196 CZ ARG A 77 13.223 -10.268 -4.591 1.00 0.00 C ATOM 1197 NH1 ARG A 77 12.649 -9.588 -5.593 1.00 0.00 N ATOM 1198 NH2 ARG A 77 14.188 -11.160 -4.853 1.00 0.00 N ATOM 0 H ARG A 77 7.343 -9.929 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 77 8.754 -7.964 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.122 -9.539 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.185 -8.168 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.887 -9.799 -2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.507 -10.735 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.863 -8.185 -3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.908 -8.803 -1.892 1.00 0.00 H new ATOM 0 HE ARG A 77 13.290 -10.590 -2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.915 -8.909 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.946 -9.750 -6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.625 -11.677 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.485 -11.322 -5.815 1.00 0.00 H new ATOM 1212 N SER A 78 7.544 -6.944 -5.243 1.00 0.00 N ATOM 1213 CA SER A 78 7.209 -5.768 -6.027 1.00 0.00 C ATOM 1214 C SER A 78 6.348 -4.813 -5.197 1.00 0.00 C ATOM 1215 O SER A 78 6.762 -3.692 -4.906 1.00 0.00 O ATOM 1216 CB SER A 78 6.481 -6.154 -7.316 1.00 0.00 C ATOM 1217 OG SER A 78 6.996 -5.460 -8.449 1.00 0.00 O ATOM 0 H SER A 78 7.283 -7.832 -5.673 1.00 0.00 H new ATOM 0 HA SER A 78 8.136 -5.265 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.573 -7.228 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.418 -5.937 -7.211 1.00 0.00 H new ATOM 0 HG SER A 78 6.506 -5.735 -9.252 1.00 0.00 H new ATOM 1223 N TYR A 79 5.166 -5.293 -4.839 1.00 0.00 N ATOM 1224 CA TYR A 79 4.243 -4.497 -4.049 1.00 0.00 C ATOM 1225 C TYR A 79 4.991 -3.675 -2.997 1.00 0.00 C ATOM 1226 O TYR A 79 4.986 -2.446 -3.046 1.00 0.00 O ATOM 1227 CB TYR A 79 3.324 -5.494 -3.341 1.00 0.00 C ATOM 1228 CG TYR A 79 2.225 -6.071 -4.235 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.561 -5.254 -5.127 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.898 -7.409 -4.150 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.526 -5.797 -5.968 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.864 -7.952 -4.992 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.229 -7.119 -5.860 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.748 -7.632 -6.655 1.00 0.00 O ATOM 0 H TYR A 79 4.827 -6.224 -5.082 1.00 0.00 H new ATOM 0 HA TYR A 79 3.694 -3.802 -4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.927 -6.313 -2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.861 -5.002 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.818 -4.207 -5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.418 -8.049 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.003 -5.168 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.598 -8.997 -4.936 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.852 -8.589 -6.470 1.00 0.00 H new ATOM 1244 N LYS A 80 5.615 -4.386 -2.070 1.00 0.00 N ATOM 1245 CA LYS A 80 6.365 -3.738 -1.008 1.00 0.00 C ATOM 1246 C LYS A 80 7.207 -2.607 -1.601 1.00 0.00 C ATOM 1247 O LYS A 80 7.090 -1.456 -1.182 1.00 0.00 O ATOM 1248 CB LYS A 80 7.183 -4.767 -0.224 1.00 0.00 C ATOM 1249 CG LYS A 80 6.476 -5.154 1.077 1.00 0.00 C ATOM 1250 CD LYS A 80 6.273 -6.668 1.161 1.00 0.00 C ATOM 1251 CE LYS A 80 5.027 -7.010 1.980 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.286 -8.172 2.859 1.00 0.00 N ATOM 0 H LYS A 80 5.617 -5.405 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 80 5.687 -3.286 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.338 -5.656 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.168 -4.359 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.064 -4.814 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.511 -4.650 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.177 -7.082 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.149 -7.131 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.733 -6.150 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.195 -7.231 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.430 -8.390 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.545 -8.995 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.066 -7.948 3.509 1.00 0.00 H new ATOM 1266 N GLN A 81 8.035 -2.973 -2.568 1.00 0.00 N ATOM 1267 CA GLN A 81 8.896 -2.003 -3.223 1.00 0.00 C ATOM 1268 C GLN A 81 8.087 -0.775 -3.645 1.00 0.00 C ATOM 1269 O GLN A 81 8.388 0.344 -3.231 1.00 0.00 O ATOM 1270 CB GLN A 81 9.612 -2.627 -4.423 1.00 0.00 C ATOM 1271 CG GLN A 81 11.002 -3.130 -4.031 1.00 0.00 C ATOM 1272 CD GLN A 81 11.831 -2.012 -3.395 1.00 0.00 C ATOM 1273 OE1 GLN A 81 12.349 -1.132 -4.063 1.00 0.00 O ATOM 1274 NE2 GLN A 81 11.927 -2.095 -2.071 1.00 0.00 N ATOM 0 H GLN A 81 8.128 -3.928 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 81 9.659 -1.685 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.019 -3.454 -4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.700 -1.891 -5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.908 -3.961 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.516 -3.512 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.468 -2.858 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.459 -1.396 -1.553 1.00 0.00 H new ATOM 1283 N GLU A 82 7.076 -1.025 -4.463 1.00 0.00 N ATOM 1284 CA GLU A 82 6.221 0.047 -4.945 1.00 0.00 C ATOM 1285 C GLU A 82 5.682 0.866 -3.771 1.00 0.00 C ATOM 1286 O GLU A 82 6.010 2.042 -3.627 1.00 0.00 O ATOM 1287 CB GLU A 82 5.078 -0.506 -5.799 1.00 0.00 C ATOM 1288 CG GLU A 82 4.165 0.620 -6.288 1.00 0.00 C ATOM 1289 CD GLU A 82 4.477 0.987 -7.741 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.432 0.063 -8.582 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.754 2.182 -7.978 1.00 0.00 O ATOM 0 H GLU A 82 6.829 -1.954 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 82 6.818 0.705 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.486 -1.045 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.498 -1.222 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.123 0.311 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.291 1.497 -5.653 1.00 0.00 H new ATOM 1298 N MET A 83 4.864 0.211 -2.960 1.00 0.00 N ATOM 1299 CA MET A 83 4.276 0.863 -1.803 1.00 0.00 C ATOM 1300 C MET A 83 5.322 1.687 -1.048 1.00 0.00 C ATOM 1301 O MET A 83 5.183 2.902 -0.915 1.00 0.00 O ATOM 1302 CB MET A 83 3.685 -0.193 -0.866 1.00 0.00 C ATOM 1303 CG MET A 83 2.163 -0.061 -0.783 1.00 0.00 C ATOM 1304 SD MET A 83 1.719 1.606 -0.323 1.00 0.00 S ATOM 1305 CE MET A 83 2.182 1.586 1.401 1.00 0.00 C ATOM 0 H MET A 83 4.595 -0.765 -3.082 1.00 0.00 H new ATOM 0 HA MET A 83 3.490 1.535 -2.149 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.948 -1.189 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.118 -0.085 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.715 -0.313 -1.744 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.768 -0.766 -0.052 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.344 1.930 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.449 0.571 1.694 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.037 2.245 1.556 1.00 0.00 H new ATOM 1315 N GLY A 84 6.346 0.992 -0.574 1.00 0.00 N ATOM 1316 CA GLY A 84 7.414 1.644 0.164 1.00 0.00 C ATOM 1317 C GLY A 84 7.917 2.884 -0.579 1.00 0.00 C ATOM 1318 O GLY A 84 8.286 3.878 0.044 1.00 0.00 O ATOM 0 H GLY A 84 6.458 -0.016 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.056 1.929 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.238 0.945 0.312 1.00 0.00 H new ATOM 1322 N LYS A 85 7.915 2.783 -1.900 1.00 0.00 N ATOM 1323 CA LYS A 85 8.366 3.884 -2.735 1.00 0.00 C ATOM 1324 C LYS A 85 7.336 5.014 -2.682 1.00 0.00 C ATOM 1325 O LYS A 85 7.699 6.187 -2.605 1.00 0.00 O ATOM 1326 CB LYS A 85 8.668 3.393 -4.152 1.00 0.00 C ATOM 1327 CG LYS A 85 10.083 3.788 -4.579 1.00 0.00 C ATOM 1328 CD LYS A 85 10.396 3.271 -5.985 1.00 0.00 C ATOM 1329 CE LYS A 85 11.150 4.323 -6.801 1.00 0.00 C ATOM 1330 NZ LYS A 85 12.358 3.732 -7.418 1.00 0.00 N ATOM 0 H LYS A 85 7.608 1.956 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 85 9.304 4.290 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.560 2.309 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.943 3.814 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.184 4.873 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.806 3.385 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.993 2.362 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.469 3.007 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.498 4.726 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.433 5.156 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.858 4.459 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.986 3.369 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.080 2.952 -8.047 1.00 0.00 H new ATOM 1344 N LEU A 86 6.071 4.621 -2.725 1.00 0.00 N ATOM 1345 CA LEU A 86 4.986 5.586 -2.683 1.00 0.00 C ATOM 1346 C LEU A 86 5.167 6.498 -1.468 1.00 0.00 C ATOM 1347 O LEU A 86 4.742 7.653 -1.485 1.00 0.00 O ATOM 1348 CB LEU A 86 3.633 4.873 -2.721 1.00 0.00 C ATOM 1349 CG LEU A 86 3.056 4.602 -4.112 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.350 3.246 -4.158 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.137 5.742 -4.555 1.00 0.00 C ATOM 0 H LEU A 86 5.774 3.647 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 86 5.009 6.224 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.731 3.921 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.914 5.471 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 86 3.882 4.559 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.949 3.078 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.062 2.457 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.535 3.235 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.740 5.525 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.313 5.841 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.702 6.674 -4.586 1.00 0.00 H new ATOM 1363 N GLU A 87 5.798 5.946 -0.442 1.00 0.00 N ATOM 1364 CA GLU A 87 6.041 6.695 0.779 1.00 0.00 C ATOM 1365 C GLU A 87 7.078 7.792 0.532 1.00 0.00 C ATOM 1366 O GLU A 87 7.105 8.797 1.240 1.00 0.00 O ATOM 1367 CB GLU A 87 6.483 5.767 1.913 1.00 0.00 C ATOM 1368 CG GLU A 87 5.279 5.271 2.716 1.00 0.00 C ATOM 1369 CD GLU A 87 5.466 5.545 4.210 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.592 5.299 4.695 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.480 5.993 4.833 1.00 0.00 O ATOM 0 H GLU A 87 6.149 4.988 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 87 5.107 7.168 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.025 4.916 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.172 6.295 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.373 5.764 2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.144 4.202 2.553 1.00 0.00 H new ATOM 1378 N THR A 88 7.908 7.561 -0.476 1.00 0.00 N ATOM 1379 CA THR A 88 8.945 8.517 -0.825 1.00 0.00 C ATOM 1380 C THR A 88 8.427 9.507 -1.870 1.00 0.00 C ATOM 1381 O THR A 88 8.354 10.708 -1.611 1.00 0.00 O ATOM 1382 CB THR A 88 10.174 7.733 -1.287 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.829 7.367 -0.076 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.194 8.616 -2.010 1.00 0.00 C ATOM 0 H THR A 88 7.883 6.726 -1.061 1.00 0.00 H new ATOM 0 HA THR A 88 9.232 9.122 0.035 1.00 0.00 H new ATOM 0 HB THR A 88 9.861 6.924 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.637 6.853 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.047 8.010 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.730 9.062 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.532 9.405 -1.339 1.00 0.00 H new ATOM 1392 N ASP A 89 8.080 8.967 -3.029 1.00 0.00 N ATOM 1393 CA ASP A 89 7.571 9.789 -4.115 1.00 0.00 C ATOM 1394 C ASP A 89 6.492 10.729 -3.574 1.00 0.00 C ATOM 1395 O ASP A 89 6.359 11.859 -4.041 1.00 0.00 O ATOM 1396 CB ASP A 89 6.941 8.925 -5.210 1.00 0.00 C ATOM 1397 CG ASP A 89 7.842 8.649 -6.415 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.947 9.234 -6.443 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.407 7.860 -7.280 1.00 0.00 O ATOM 0 H ASP A 89 8.141 7.971 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 89 8.406 10.350 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.642 7.972 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.032 9.414 -5.560 1.00 0.00 H new ATOM 1404 N PHE A 90 5.750 10.228 -2.598 1.00 0.00 N ATOM 1405 CA PHE A 90 4.687 11.009 -1.989 1.00 0.00 C ATOM 1406 C PHE A 90 5.248 12.255 -1.302 1.00 0.00 C ATOM 1407 O PHE A 90 4.680 13.340 -1.416 1.00 0.00 O ATOM 1408 CB PHE A 90 4.021 10.117 -0.939 1.00 0.00 C ATOM 1409 CG PHE A 90 3.168 10.881 0.075 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.438 11.957 -0.324 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.139 10.484 1.375 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.646 12.666 0.618 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.347 11.193 2.317 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.618 12.269 1.918 1.00 0.00 C ATOM 0 H PHE A 90 5.864 9.290 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 90 3.980 11.335 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.395 9.383 -1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.793 9.563 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.461 12.272 -1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.718 9.629 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.066 13.520 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.324 10.878 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.016 12.809 2.634 1.00 0.00 H new ATOM 1424 N LYS A 91 6.355 12.058 -0.602 1.00 0.00 N ATOM 1425 CA LYS A 91 6.999 13.152 0.105 1.00 0.00 C ATOM 1426 C LYS A 91 7.779 14.009 -0.894 1.00 0.00 C ATOM 1427 O LYS A 91 7.971 15.205 -0.675 1.00 0.00 O ATOM 1428 CB LYS A 91 7.853 12.618 1.256 1.00 0.00 C ATOM 1429 CG LYS A 91 9.304 12.414 0.814 1.00 0.00 C ATOM 1430 CD LYS A 91 9.991 11.345 1.666 1.00 0.00 C ATOM 1431 CE LYS A 91 11.137 11.948 2.482 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.019 11.559 3.905 1.00 0.00 N ATOM 0 H LYS A 91 6.823 11.156 -0.509 1.00 0.00 H new ATOM 0 HA LYS A 91 6.253 13.799 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.819 13.316 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.441 11.673 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.330 12.120 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.849 13.355 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.264 10.887 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.375 10.553 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.093 11.608 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.123 13.034 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.804 11.976 4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.115 11.904 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.055 10.523 3.986 1.00 0.00 H new ATOM 1446 N ARG A 92 8.209 13.365 -1.969 1.00 0.00 N ATOM 1447 CA ARG A 92 8.964 14.053 -3.002 1.00 0.00 C ATOM 1448 C ARG A 92 8.019 14.814 -3.933 1.00 0.00 C ATOM 1449 O ARG A 92 8.461 15.448 -4.890 1.00 0.00 O ATOM 1450 CB ARG A 92 9.797 13.068 -3.825 1.00 0.00 C ATOM 1451 CG ARG A 92 11.198 12.905 -3.232 1.00 0.00 C ATOM 1452 CD ARG A 92 12.104 12.112 -4.177 1.00 0.00 C ATOM 1453 NE ARG A 92 13.068 13.022 -4.835 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.906 12.649 -5.812 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.904 11.382 -6.250 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.747 13.542 -6.351 1.00 0.00 N ATOM 0 H ARG A 92 8.049 12.374 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 92 9.636 14.755 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.297 12.100 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.872 13.421 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.633 13.886 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.133 12.395 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.639 11.342 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.502 11.601 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 92 13.096 13.994 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.264 10.702 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.542 11.098 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.750 14.506 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.385 13.258 -7.095 1.00 0.00 H new ATOM 1470 N SER A 93 6.734 14.725 -3.621 1.00 0.00 N ATOM 1471 CA SER A 93 5.722 15.397 -4.419 1.00 0.00 C ATOM 1472 C SER A 93 5.180 16.610 -3.662 1.00 0.00 C ATOM 1473 O SER A 93 5.050 17.694 -4.230 1.00 0.00 O ATOM 1474 CB SER A 93 4.581 14.443 -4.779 1.00 0.00 C ATOM 1475 OG SER A 93 3.509 14.516 -3.843 1.00 0.00 O ATOM 0 H SER A 93 6.371 14.198 -2.827 1.00 0.00 H new ATOM 0 HA SER A 93 6.185 15.733 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.209 14.682 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.960 13.422 -4.817 1.00 0.00 H new ATOM 0 HG SER A 93 3.798 14.142 -2.985 1.00 0.00 H new ATOM 1481 N ARG A 94 4.878 16.389 -2.391 1.00 0.00 N ATOM 1482 CA ARG A 94 4.353 17.451 -1.550 1.00 0.00 C ATOM 1483 C ARG A 94 5.425 18.514 -1.306 1.00 0.00 C ATOM 1484 O ARG A 94 5.107 19.669 -1.024 1.00 0.00 O ATOM 1485 CB ARG A 94 3.874 16.902 -0.204 1.00 0.00 C ATOM 1486 CG ARG A 94 5.043 16.338 0.605 1.00 0.00 C ATOM 1487 CD ARG A 94 4.554 15.724 1.919 1.00 0.00 C ATOM 1488 NE ARG A 94 5.548 15.961 2.989 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.717 17.136 3.611 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.959 18.188 3.272 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.643 17.259 4.571 1.00 0.00 N ATOM 0 H ARG A 94 4.987 15.489 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 94 3.506 17.897 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.384 17.694 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.131 16.122 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.565 15.582 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.761 17.131 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.595 16.160 2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.392 14.654 1.792 1.00 0.00 H new ATOM 0 HE ARG A 94 6.142 15.181 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.254 18.094 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.087 19.083 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.220 16.458 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.771 18.153 5.044 1.00 0.00 H new ATOM 1505 N ILE A 95 6.674 18.088 -1.425 1.00 0.00 N ATOM 1506 CA ILE A 95 7.795 18.989 -1.221 1.00 0.00 C ATOM 1507 C ILE A 95 7.899 19.944 -2.412 1.00 0.00 C ATOM 1508 O ILE A 95 8.654 20.915 -2.369 1.00 0.00 O ATOM 1509 CB ILE A 95 9.077 18.198 -0.954 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.446 17.329 -2.158 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.956 17.376 0.331 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.852 16.745 -2.003 1.00 0.00 C ATOM 0 H ILE A 95 6.934 17.130 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 95 7.635 19.601 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 95 9.892 18.907 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.722 16.521 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.394 17.924 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.881 16.823 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.775 18.043 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.126 16.675 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.089 16.132 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.576 17.556 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.894 16.131 -1.103 1.00 0.00 H new ATOM 1524 N ALA A 96 7.131 19.636 -3.446 1.00 0.00 N ATOM 1525 CA ALA A 96 7.127 20.454 -4.646 1.00 0.00 C ATOM 1526 C ALA A 96 6.431 21.784 -4.349 1.00 0.00 C ATOM 1527 O ALA A 96 5.419 21.816 -3.651 1.00 0.00 O ATOM 1528 CB ALA A 96 6.455 19.686 -5.786 1.00 0.00 C ATOM 0 H ALA A 96 6.506 18.830 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 96 8.146 20.678 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.452 20.300 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.004 18.764 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.429 19.446 -5.508 1.00 0.00 H new ATOM 1534 N SER A 97 7.001 22.849 -4.894 1.00 0.00 N ATOM 1535 CA SER A 97 6.448 24.178 -4.695 1.00 0.00 C ATOM 1536 C SER A 97 6.181 24.840 -6.048 1.00 0.00 C ATOM 1537 O SER A 97 5.128 25.441 -6.252 1.00 0.00 O ATOM 1538 CB SER A 97 7.387 25.045 -3.855 1.00 0.00 C ATOM 1539 OG SER A 97 6.675 25.998 -3.070 1.00 0.00 O ATOM 0 H SER A 97 7.840 22.818 -5.473 1.00 0.00 H new ATOM 0 HA SER A 97 5.507 24.080 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.981 24.407 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.085 25.565 -4.512 1.00 0.00 H new ATOM 0 HG SER A 97 7.310 26.531 -2.547 1.00 0.00 H new ATOM 1545 N GLY A 98 7.155 24.709 -6.938 1.00 0.00 N ATOM 1546 CA GLY A 98 7.038 25.288 -8.265 1.00 0.00 C ATOM 1547 C GLY A 98 7.271 24.231 -9.347 1.00 0.00 C ATOM 1548 O GLY A 98 7.069 23.041 -9.110 1.00 0.00 O ATOM 0 H GLY A 98 8.028 24.210 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.048 25.727 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.761 26.095 -8.378 1.00 0.00 H new ATOM 1552 N PRO A 99 7.702 24.716 -10.542 1.00 0.00 N ATOM 1553 CA PRO A 99 7.964 23.826 -11.660 1.00 0.00 C ATOM 1554 C PRO A 99 9.274 23.062 -11.458 1.00 0.00 C ATOM 1555 O PRO A 99 9.327 21.850 -11.659 1.00 0.00 O ATOM 1556 CB PRO A 99 7.985 24.728 -12.884 1.00 0.00 C ATOM 1557 CG PRO A 99 8.198 26.138 -12.358 1.00 0.00 C ATOM 1558 CD PRO A 99 7.952 26.119 -10.858 1.00 0.00 C ATOM 0 HA PRO A 99 7.206 23.050 -11.766 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.784 24.441 -13.567 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.050 24.655 -13.439 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.211 26.477 -12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.518 26.835 -12.847 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.814 26.501 -10.310 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.100 26.744 -10.588 1.00 0.00 H new ATOM 1566 N SER A 100 10.299 23.803 -11.062 1.00 0.00 N ATOM 1567 CA SER A 100 11.605 23.210 -10.831 1.00 0.00 C ATOM 1568 C SER A 100 11.860 23.076 -9.328 1.00 0.00 C ATOM 1569 O SER A 100 12.291 22.023 -8.860 1.00 0.00 O ATOM 1570 CB SER A 100 12.711 24.042 -11.483 1.00 0.00 C ATOM 1571 OG SER A 100 12.555 25.435 -11.224 1.00 0.00 O ATOM 0 H SER A 100 10.251 24.808 -10.895 1.00 0.00 H new ATOM 0 HA SER A 100 11.616 22.219 -11.286 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.681 23.711 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.707 23.871 -12.559 1.00 0.00 H new ATOM 0 HG SER A 100 13.281 25.931 -11.656 1.00 0.00 H new ATOM 1577 N SER A 101 11.582 24.156 -8.614 1.00 0.00 N ATOM 1578 CA SER A 101 11.775 24.172 -7.174 1.00 0.00 C ATOM 1579 C SER A 101 13.189 23.700 -6.830 1.00 0.00 C ATOM 1580 O SER A 101 13.382 22.561 -6.409 1.00 0.00 O ATOM 1581 CB SER A 101 10.737 23.296 -6.469 1.00 0.00 C ATOM 1582 OG SER A 101 9.589 24.041 -6.074 1.00 0.00 O ATOM 0 H SER A 101 11.224 25.027 -9.006 1.00 0.00 H new ATOM 0 HA SER A 101 11.645 25.196 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.433 22.488 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.189 22.834 -5.591 1.00 0.00 H new ATOM 0 HG SER A 101 9.857 24.752 -5.455 1.00 0.00 H new ATOM 1588 N GLY A 102 14.142 24.600 -7.023 1.00 0.00 N ATOM 1589 CA GLY A 102 15.533 24.290 -6.739 1.00 0.00 C ATOM 1590 C GLY A 102 15.993 24.968 -5.447 1.00 0.00 C ATOM 1591 O GLY A 102 17.138 24.804 -5.029 1.00 0.00 O ATOM 0 H GLY A 102 13.978 25.544 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 102 15.658 23.211 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 102 16.159 24.618 -7.569 1.00 0.00 H new TER 1595 GLY A 102