USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00217) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -2.03! K(o=-0.86!,f=-0.16) USER MOD Set 1.4: A 92 SER OG : rot -154:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 53:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 HIS : no HD1:sc= -2.92 K(o=-2.9,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 94:sc= 0.471 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0105) USER MOD Single : A 63 ASN : amide:sc= -0.689 K(o=-0.69,f=-5.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 147:sc= 0.136 USER MOD Single : A 69 SER OG : rot 180:sc= -0.991 USER MOD Single : A 70 TYR OH : rot -134:sc= -1.53! USER MOD Single : A 73 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -1.97! C(o=-2!,f=-5.3!) USER MOD Single : A 78 TYR OH : rot 29:sc= 0.475 USER MOD Single : A 85 ASN : amide:sc= -8.41! C(o=-8.4!,f=-9.9!) USER MOD Single : A 94 TYR OH : rot 33:sc= -4.24! USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.662 33.102 14.149 1.00 0.00 N ATOM 2 CA GLY A 1 -1.859 32.621 12.794 1.00 0.00 C ATOM 3 C GLY A 1 -0.580 32.096 12.175 1.00 0.00 C ATOM 4 O GLY A 1 -0.047 31.073 12.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.565 33.450 14.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.312 32.325 14.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.967 33.875 14.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.609 31.830 12.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.252 33.430 12.178 1.00 0.00 H new ATOM 8 N SER A 2 -0.087 32.795 11.157 1.00 0.00 N ATOM 9 CA SER A 2 1.135 32.390 10.472 1.00 0.00 C ATOM 10 C SER A 2 1.613 33.483 9.522 1.00 0.00 C ATOM 11 O SER A 2 0.947 34.503 9.346 1.00 0.00 O ATOM 12 CB SER A 2 0.905 31.090 9.699 1.00 0.00 C ATOM 13 OG SER A 2 1.088 29.960 10.534 1.00 0.00 O ATOM 0 H SER A 2 -0.515 33.644 10.789 1.00 0.00 H new ATOM 0 HA SER A 2 1.906 32.225 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.104 31.082 9.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.594 31.038 8.856 1.00 0.00 H new ATOM 0 HG SER A 2 0.535 30.054 11.337 1.00 0.00 H new ATOM 19 N SER A 3 2.772 33.261 8.910 1.00 0.00 N ATOM 20 CA SER A 3 3.343 34.228 7.978 1.00 0.00 C ATOM 21 C SER A 3 2.908 33.927 6.548 1.00 0.00 C ATOM 22 O SER A 3 2.376 34.792 5.854 1.00 0.00 O ATOM 23 CB SER A 3 4.870 34.219 8.072 1.00 0.00 C ATOM 24 OG SER A 3 5.299 34.407 9.409 1.00 0.00 O ATOM 0 H SER A 3 3.334 32.420 9.042 1.00 0.00 H new ATOM 0 HA SER A 3 2.976 35.218 8.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.255 33.273 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.281 35.007 7.441 1.00 0.00 H new ATOM 0 HG SER A 3 6.278 34.396 9.443 1.00 0.00 H new ATOM 30 N GLY A 4 3.138 32.691 6.114 1.00 0.00 N ATOM 31 CA GLY A 4 2.765 32.296 4.768 1.00 0.00 C ATOM 32 C GLY A 4 3.626 31.168 4.235 1.00 0.00 C ATOM 33 O GLY A 4 4.725 31.402 3.734 1.00 0.00 O ATOM 0 H GLY A 4 3.576 31.957 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.720 31.986 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.847 33.157 4.104 1.00 0.00 H new ATOM 37 N SER A 5 3.126 29.942 4.344 1.00 0.00 N ATOM 38 CA SER A 5 3.859 28.773 3.874 1.00 0.00 C ATOM 39 C SER A 5 3.063 28.023 2.810 1.00 0.00 C ATOM 40 O SER A 5 1.998 27.474 3.088 1.00 0.00 O ATOM 41 CB SER A 5 4.175 27.838 5.044 1.00 0.00 C ATOM 42 OG SER A 5 5.289 27.013 4.751 1.00 0.00 O ATOM 0 H SER A 5 2.216 29.732 4.754 1.00 0.00 H new ATOM 0 HA SER A 5 4.793 29.116 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.379 28.426 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.306 27.217 5.262 1.00 0.00 H new ATOM 0 HG SER A 5 5.471 26.426 5.515 1.00 0.00 H new ATOM 48 N SER A 6 3.588 28.007 1.589 1.00 0.00 N ATOM 49 CA SER A 6 2.926 27.330 0.481 1.00 0.00 C ATOM 50 C SER A 6 2.992 25.815 0.652 1.00 0.00 C ATOM 51 O SER A 6 4.021 25.268 1.048 1.00 0.00 O ATOM 52 CB SER A 6 3.569 27.732 -0.848 1.00 0.00 C ATOM 53 OG SER A 6 3.103 28.999 -1.277 1.00 0.00 O ATOM 0 H SER A 6 4.470 28.455 1.342 1.00 0.00 H new ATOM 0 HA SER A 6 1.879 27.633 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.653 27.758 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.343 26.982 -1.606 1.00 0.00 H new ATOM 0 HG SER A 6 3.530 29.234 -2.127 1.00 0.00 H new ATOM 59 N GLY A 7 1.884 25.142 0.352 1.00 0.00 N ATOM 60 CA GLY A 7 1.837 23.698 0.479 1.00 0.00 C ATOM 61 C GLY A 7 0.454 23.138 0.212 1.00 0.00 C ATOM 62 O GLY A 7 -0.410 23.157 1.088 1.00 0.00 O ATOM 0 H GLY A 7 1.019 25.572 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.547 23.252 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.153 23.414 1.483 1.00 0.00 H new ATOM 66 N GLU A 8 0.243 22.639 -1.001 1.00 0.00 N ATOM 67 CA GLU A 8 -1.046 22.074 -1.383 1.00 0.00 C ATOM 68 C GLU A 8 -1.012 20.550 -1.317 1.00 0.00 C ATOM 69 O GLU A 8 0.057 19.942 -1.295 1.00 0.00 O ATOM 70 CB GLU A 8 -1.430 22.526 -2.793 1.00 0.00 C ATOM 71 CG GLU A 8 -1.795 23.998 -2.881 1.00 0.00 C ATOM 72 CD GLU A 8 -2.143 24.430 -4.292 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.832 23.661 -4.995 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.726 25.537 -4.694 1.00 0.00 O ATOM 0 H GLU A 8 0.949 22.614 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.795 22.435 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.599 22.325 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.274 21.930 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.642 24.198 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.961 24.598 -2.517 1.00 0.00 H new ATOM 81 N GLY A 9 -2.192 19.938 -1.286 1.00 0.00 N ATOM 82 CA GLY A 9 -2.277 18.491 -1.222 1.00 0.00 C ATOM 83 C GLY A 9 -2.802 17.999 0.111 1.00 0.00 C ATOM 84 O GLY A 9 -3.816 18.487 0.606 1.00 0.00 O ATOM 0 H GLY A 9 -3.091 20.419 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.928 18.133 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.290 18.064 -1.400 1.00 0.00 H new ATOM 88 N GLY A 10 -2.110 17.025 0.696 1.00 0.00 N ATOM 89 CA GLY A 10 -2.529 16.480 1.974 1.00 0.00 C ATOM 90 C GLY A 10 -2.934 15.023 1.879 1.00 0.00 C ATOM 91 O GLY A 10 -3.442 14.579 0.849 1.00 0.00 O ATOM 0 H GLY A 10 -1.266 16.604 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.716 16.582 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.367 17.063 2.356 1.00 0.00 H new ATOM 95 N ALA A 11 -2.708 14.277 2.955 1.00 0.00 N ATOM 96 CA ALA A 11 -3.054 12.861 2.989 1.00 0.00 C ATOM 97 C ALA A 11 -4.309 12.582 2.168 1.00 0.00 C ATOM 98 O ALA A 11 -4.240 11.989 1.091 1.00 0.00 O ATOM 99 CB ALA A 11 -3.246 12.399 4.426 1.00 0.00 C ATOM 0 H ALA A 11 -2.287 14.629 3.815 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.231 12.300 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.504 11.340 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.323 12.553 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.049 12.973 4.888 1.00 0.00 H new ATOM 105 N HIS A 12 -5.456 13.013 2.685 1.00 0.00 N ATOM 106 CA HIS A 12 -6.727 12.809 2.000 1.00 0.00 C ATOM 107 C HIS A 12 -6.560 12.958 0.490 1.00 0.00 C ATOM 108 O HIS A 12 -7.190 12.242 -0.288 1.00 0.00 O ATOM 109 CB HIS A 12 -7.770 13.804 2.510 1.00 0.00 C ATOM 110 CG HIS A 12 -7.405 15.236 2.261 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.190 15.776 2.623 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.104 16.239 1.681 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.157 17.051 2.278 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.307 17.356 1.704 1.00 0.00 N ATOM 0 H HIS A 12 -5.531 13.505 3.575 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.068 11.796 2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.726 13.593 2.031 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.910 13.654 3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.103 16.173 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.331 17.728 2.438 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.561 18.273 1.337 1.00 0.00 H new ATOM 122 N LYS A 13 -5.708 13.894 0.083 1.00 0.00 N ATOM 123 CA LYS A 13 -5.458 14.137 -1.333 1.00 0.00 C ATOM 124 C LYS A 13 -4.423 13.158 -1.878 1.00 0.00 C ATOM 125 O LYS A 13 -3.600 13.516 -2.721 1.00 0.00 O ATOM 126 CB LYS A 13 -4.980 15.575 -1.547 1.00 0.00 C ATOM 127 CG LYS A 13 -5.989 16.623 -1.112 1.00 0.00 C ATOM 128 CD LYS A 13 -6.962 16.958 -2.231 1.00 0.00 C ATOM 129 CE LYS A 13 -8.058 15.911 -2.349 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.298 16.471 -2.954 1.00 0.00 N ATOM 0 H LYS A 13 -5.179 14.496 0.714 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.393 13.987 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.052 15.726 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.751 15.719 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.541 16.260 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.465 17.527 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.409 17.935 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.422 17.029 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.701 15.079 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.285 15.510 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.021 15.726 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.653 17.248 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.088 16.831 -3.907 1.00 0.00 H new ATOM 144 N VAL A 14 -4.470 11.922 -1.393 1.00 0.00 N ATOM 145 CA VAL A 14 -3.538 10.891 -1.834 1.00 0.00 C ATOM 146 C VAL A 14 -4.252 9.562 -2.055 1.00 0.00 C ATOM 147 O VAL A 14 -4.919 9.048 -1.157 1.00 0.00 O ATOM 148 CB VAL A 14 -2.402 10.689 -0.814 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.609 9.433 -1.140 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.494 11.909 -0.780 1.00 0.00 C ATOM 0 H VAL A 14 -5.144 11.610 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.112 11.231 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.843 10.565 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.811 9.307 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.270 8.567 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.177 9.524 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.697 11.749 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.060 12.067 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.074 12.786 -0.494 1.00 0.00 H new ATOM 160 N ARG A 15 -4.106 9.010 -3.254 1.00 0.00 N ATOM 161 CA ARG A 15 -4.738 7.741 -3.593 1.00 0.00 C ATOM 162 C ARG A 15 -3.689 6.671 -3.881 1.00 0.00 C ATOM 163 O ARG A 15 -2.625 6.963 -4.427 1.00 0.00 O ATOM 164 CB ARG A 15 -5.655 7.910 -4.805 1.00 0.00 C ATOM 165 CG ARG A 15 -7.037 8.437 -4.455 1.00 0.00 C ATOM 166 CD ARG A 15 -6.968 9.849 -3.892 1.00 0.00 C ATOM 167 NE ARG A 15 -8.259 10.530 -3.964 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.287 10.238 -3.176 1.00 0.00 C ATOM 169 NH1 ARG A 15 -9.178 9.285 -2.261 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.429 10.903 -3.301 1.00 0.00 N ATOM 0 H ARG A 15 -3.555 9.422 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.333 7.421 -2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.184 8.592 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.759 6.949 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.667 8.429 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.506 7.776 -3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.636 9.810 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.224 10.423 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.377 11.269 -4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.302 8.773 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.970 9.064 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.517 11.638 -4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.219 10.679 -2.696 1.00 0.00 H new ATOM 184 N ALA A 16 -3.996 5.433 -3.509 1.00 0.00 N ATOM 185 CA ALA A 16 -3.080 4.320 -3.730 1.00 0.00 C ATOM 186 C ALA A 16 -3.817 3.105 -4.283 1.00 0.00 C ATOM 187 O ALA A 16 -4.885 2.738 -3.796 1.00 0.00 O ATOM 188 CB ALA A 16 -2.366 3.961 -2.435 1.00 0.00 C ATOM 0 H ALA A 16 -4.871 5.175 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.340 4.631 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.685 3.129 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.801 4.823 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.100 3.674 -1.682 1.00 0.00 H new ATOM 194 N GLY A 17 -3.238 2.483 -5.307 1.00 0.00 N ATOM 195 CA GLY A 17 -3.853 1.316 -5.910 1.00 0.00 C ATOM 196 C GLY A 17 -2.899 0.559 -6.813 1.00 0.00 C ATOM 197 O GLY A 17 -2.107 1.162 -7.535 1.00 0.00 O ATOM 0 H GLY A 17 -2.354 2.767 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.210 0.650 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.725 1.625 -6.486 1.00 0.00 H new ATOM 201 N GLY A 18 -2.975 -0.769 -6.772 1.00 0.00 N ATOM 202 CA GLY A 18 -2.105 -1.587 -7.595 1.00 0.00 C ATOM 203 C GLY A 18 -2.604 -3.011 -7.727 1.00 0.00 C ATOM 204 O GLY A 18 -3.498 -3.450 -7.002 1.00 0.00 O ATOM 0 H GLY A 18 -3.624 -1.291 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.022 -1.141 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.104 -1.594 -7.164 1.00 0.00 H new ATOM 208 N PRO A 19 -2.022 -3.762 -8.674 1.00 0.00 N ATOM 209 CA PRO A 19 -2.398 -5.157 -8.922 1.00 0.00 C ATOM 210 C PRO A 19 -1.971 -6.083 -7.789 1.00 0.00 C ATOM 211 O PRO A 19 -2.321 -7.262 -7.772 1.00 0.00 O ATOM 212 CB PRO A 19 -1.644 -5.503 -10.210 1.00 0.00 C ATOM 213 CG PRO A 19 -0.479 -4.576 -10.227 1.00 0.00 C ATOM 214 CD PRO A 19 -0.951 -3.306 -9.575 1.00 0.00 C ATOM 0 HA PRO A 19 -3.478 -5.281 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.322 -6.544 -10.212 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.275 -5.363 -11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.366 -5.002 -9.686 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.143 -4.390 -11.247 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.148 -2.813 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.321 -2.591 -10.310 1.00 0.00 H new ATOM 222 N GLY A 20 -1.212 -5.540 -6.842 1.00 0.00 N ATOM 223 CA GLY A 20 -0.751 -6.332 -5.716 1.00 0.00 C ATOM 224 C GLY A 20 -1.541 -6.060 -4.452 1.00 0.00 C ATOM 225 O GLY A 20 -1.781 -6.967 -3.654 1.00 0.00 O ATOM 0 H GLY A 20 -0.908 -4.566 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.825 -7.390 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.303 -6.120 -5.534 1.00 0.00 H new ATOM 229 N LEU A 21 -1.947 -4.809 -4.268 1.00 0.00 N ATOM 230 CA LEU A 21 -2.715 -4.420 -3.090 1.00 0.00 C ATOM 231 C LEU A 21 -3.977 -5.265 -2.959 1.00 0.00 C ATOM 232 O LEU A 21 -4.237 -5.850 -1.908 1.00 0.00 O ATOM 233 CB LEU A 21 -3.086 -2.937 -3.167 1.00 0.00 C ATOM 234 CG LEU A 21 -1.991 -1.949 -2.758 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.351 -0.541 -3.203 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.766 -1.994 -1.255 1.00 0.00 C ATOM 0 H LEU A 21 -1.758 -4.047 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.095 -4.589 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.388 -2.711 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.956 -2.767 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.064 -2.239 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.561 0.148 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.460 -0.519 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.290 -0.241 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.984 -1.285 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.690 -1.730 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.462 -2.999 -0.963 1.00 0.00 H new ATOM 248 N GLU A 22 -4.757 -5.326 -4.034 1.00 0.00 N ATOM 249 CA GLU A 22 -5.991 -6.102 -4.038 1.00 0.00 C ATOM 250 C GLU A 22 -5.781 -7.465 -3.385 1.00 0.00 C ATOM 251 O GLU A 22 -6.572 -7.891 -2.544 1.00 0.00 O ATOM 252 CB GLU A 22 -6.501 -6.284 -5.469 1.00 0.00 C ATOM 253 CG GLU A 22 -5.420 -6.705 -6.451 1.00 0.00 C ATOM 254 CD GLU A 22 -5.804 -6.437 -7.893 1.00 0.00 C ATOM 255 OE1 GLU A 22 -6.533 -5.452 -8.139 1.00 0.00 O ATOM 256 OE2 GLU A 22 -5.379 -7.210 -8.775 1.00 0.00 O ATOM 0 H GLU A 22 -4.556 -4.848 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.735 -5.553 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.293 -7.032 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.945 -5.349 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.497 -6.173 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.215 -7.768 -6.325 1.00 0.00 H new ATOM 263 N ARG A 23 -4.708 -8.143 -3.778 1.00 0.00 N ATOM 264 CA ARG A 23 -4.392 -9.458 -3.233 1.00 0.00 C ATOM 265 C ARG A 23 -2.913 -9.782 -3.418 1.00 0.00 C ATOM 266 O ARG A 23 -2.256 -9.245 -4.308 1.00 0.00 O ATOM 267 CB ARG A 23 -5.249 -10.531 -3.905 1.00 0.00 C ATOM 268 CG ARG A 23 -5.537 -11.729 -3.014 1.00 0.00 C ATOM 269 CD ARG A 23 -5.764 -12.991 -3.831 1.00 0.00 C ATOM 270 NE ARG A 23 -7.120 -13.057 -4.370 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.157 -13.534 -3.692 1.00 0.00 C ATOM 272 NH1 ARG A 23 -7.995 -13.984 -2.456 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.360 -13.562 -4.250 1.00 0.00 N ATOM 0 H ARG A 23 -4.042 -7.803 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.612 -9.444 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.194 -10.086 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.744 -10.874 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.703 -11.883 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.417 -11.526 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.046 -13.027 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.579 -13.865 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.279 -12.718 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.072 -13.964 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.794 -14.350 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.489 -13.217 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.156 -13.929 -3.728 1.00 0.00 H new ATOM 287 N GLY A 24 -2.395 -10.666 -2.570 1.00 0.00 N ATOM 288 CA GLY A 24 -0.997 -11.047 -2.657 1.00 0.00 C ATOM 289 C GLY A 24 -0.792 -12.541 -2.494 1.00 0.00 C ATOM 290 O GLY A 24 -1.752 -13.288 -2.301 1.00 0.00 O ATOM 0 H GLY A 24 -2.919 -11.125 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.597 -10.731 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.431 -10.520 -1.889 1.00 0.00 H new ATOM 294 N GLU A 25 0.461 -12.977 -2.572 1.00 0.00 N ATOM 295 CA GLU A 25 0.787 -14.391 -2.434 1.00 0.00 C ATOM 296 C GLU A 25 2.058 -14.577 -1.609 1.00 0.00 C ATOM 297 O GLU A 25 2.940 -13.720 -1.605 1.00 0.00 O ATOM 298 CB GLU A 25 0.962 -15.034 -3.811 1.00 0.00 C ATOM 299 CG GLU A 25 -0.340 -15.524 -4.423 1.00 0.00 C ATOM 300 CD GLU A 25 -1.032 -14.460 -5.253 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.674 -13.273 -5.114 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.932 -14.817 -6.042 1.00 0.00 O ATOM 0 H GLU A 25 1.267 -12.372 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.038 -14.879 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.421 -14.311 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.652 -15.873 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.138 -16.393 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.010 -15.852 -3.628 1.00 0.00 H new ATOM 309 N ALA A 26 2.142 -15.706 -0.911 1.00 0.00 N ATOM 310 CA ALA A 26 3.304 -16.006 -0.083 1.00 0.00 C ATOM 311 C ALA A 26 4.484 -16.457 -0.937 1.00 0.00 C ATOM 312 O ALA A 26 4.371 -17.396 -1.724 1.00 0.00 O ATOM 313 CB ALA A 26 2.957 -17.072 0.946 1.00 0.00 C ATOM 0 H ALA A 26 1.420 -16.427 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 26 3.594 -15.094 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.833 -17.286 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.149 -16.713 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.640 -17.981 0.435 1.00 0.00 H new ATOM 319 N GLY A 27 5.617 -15.780 -0.777 1.00 0.00 N ATOM 320 CA GLY A 27 6.801 -16.126 -1.540 1.00 0.00 C ATOM 321 C GLY A 27 6.923 -15.319 -2.819 1.00 0.00 C ATOM 322 O GLY A 27 7.985 -15.286 -3.442 1.00 0.00 O ATOM 0 H GLY A 27 5.736 -14.998 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.686 -15.963 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.774 -17.188 -1.785 1.00 0.00 H new ATOM 326 N VAL A 28 5.833 -14.668 -3.211 1.00 0.00 N ATOM 327 CA VAL A 28 5.821 -13.859 -4.424 1.00 0.00 C ATOM 328 C VAL A 28 5.808 -12.371 -4.091 1.00 0.00 C ATOM 329 O VAL A 28 5.098 -11.917 -3.194 1.00 0.00 O ATOM 330 CB VAL A 28 4.602 -14.188 -5.307 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.646 -13.383 -6.597 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.545 -15.680 -5.599 1.00 0.00 C ATOM 0 H VAL A 28 4.947 -14.685 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 28 6.732 -14.098 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 28 3.696 -13.913 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.778 -13.628 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.636 -12.319 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.556 -13.625 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.678 -15.896 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.453 -15.984 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.463 -16.231 -4.662 1.00 0.00 H new ATOM 342 N PRO A 29 6.610 -11.592 -4.831 1.00 0.00 N ATOM 343 CA PRO A 29 6.708 -10.142 -4.634 1.00 0.00 C ATOM 344 C PRO A 29 5.440 -9.413 -5.064 1.00 0.00 C ATOM 345 O PRO A 29 4.963 -9.585 -6.185 1.00 0.00 O ATOM 346 CB PRO A 29 7.885 -9.741 -5.526 1.00 0.00 C ATOM 347 CG PRO A 29 7.937 -10.793 -6.580 1.00 0.00 C ATOM 348 CD PRO A 29 7.484 -12.066 -5.918 1.00 0.00 C ATOM 0 HA PRO A 29 6.844 -9.881 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.734 -8.753 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.816 -9.702 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.289 -10.537 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.947 -10.898 -6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.947 -12.712 -6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.326 -12.642 -5.534 1.00 0.00 H new ATOM 356 N ALA A 30 4.900 -8.596 -4.166 1.00 0.00 N ATOM 357 CA ALA A 30 3.689 -7.837 -4.454 1.00 0.00 C ATOM 358 C ALA A 30 4.003 -6.360 -4.667 1.00 0.00 C ATOM 359 O ALA A 30 4.206 -5.615 -3.709 1.00 0.00 O ATOM 360 CB ALA A 30 2.680 -8.007 -3.328 1.00 0.00 C ATOM 0 H ALA A 30 5.282 -8.443 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 30 3.257 -8.226 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.781 -7.435 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.423 -9.061 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.112 -7.647 -2.395 1.00 0.00 H new ATOM 366 N GLU A 31 4.043 -5.945 -5.929 1.00 0.00 N ATOM 367 CA GLU A 31 4.334 -4.557 -6.267 1.00 0.00 C ATOM 368 C GLU A 31 3.051 -3.734 -6.345 1.00 0.00 C ATOM 369 O GLU A 31 1.959 -4.281 -6.498 1.00 0.00 O ATOM 370 CB GLU A 31 5.084 -4.480 -7.599 1.00 0.00 C ATOM 371 CG GLU A 31 6.282 -5.411 -7.678 1.00 0.00 C ATOM 372 CD GLU A 31 6.696 -5.708 -9.106 1.00 0.00 C ATOM 373 OE1 GLU A 31 6.180 -6.688 -9.683 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.537 -4.960 -9.647 1.00 0.00 O ATOM 0 H GLU A 31 3.878 -6.550 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 31 4.963 -4.143 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.395 -4.719 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.420 -3.455 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.121 -4.963 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.045 -6.346 -7.170 1.00 0.00 H new ATOM 381 N PHE A 32 3.192 -2.417 -6.237 1.00 0.00 N ATOM 382 CA PHE A 32 2.046 -1.519 -6.294 1.00 0.00 C ATOM 383 C PHE A 32 2.498 -0.066 -6.405 1.00 0.00 C ATOM 384 O PHE A 32 3.391 0.375 -5.682 1.00 0.00 O ATOM 385 CB PHE A 32 1.169 -1.698 -5.052 1.00 0.00 C ATOM 386 CG PHE A 32 1.815 -1.209 -3.787 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.749 0.129 -3.432 1.00 0.00 C ATOM 388 CD2 PHE A 32 2.488 -2.087 -2.953 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.342 0.582 -2.268 1.00 0.00 C ATOM 390 CE2 PHE A 32 3.083 -1.640 -1.788 1.00 0.00 C ATOM 391 CZ PHE A 32 3.010 -0.303 -1.446 1.00 0.00 C ATOM 0 H PHE A 32 4.089 -1.948 -6.110 1.00 0.00 H new ATOM 0 HA PHE A 32 1.464 -1.769 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.230 -1.165 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.922 -2.754 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.228 0.826 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.548 -3.133 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.283 1.627 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.604 -2.335 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.475 0.049 -0.537 1.00 0.00 H new ATOM 401 N SER A 33 1.875 0.673 -7.318 1.00 0.00 N ATOM 402 CA SER A 33 2.216 2.075 -7.529 1.00 0.00 C ATOM 403 C SER A 33 1.246 2.988 -6.785 1.00 0.00 C ATOM 404 O SER A 33 0.049 2.707 -6.705 1.00 0.00 O ATOM 405 CB SER A 33 2.202 2.406 -9.023 1.00 0.00 C ATOM 406 OG SER A 33 0.958 2.066 -9.609 1.00 0.00 O ATOM 0 H SER A 33 1.132 0.324 -7.923 1.00 0.00 H new ATOM 0 HA SER A 33 3.219 2.243 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.396 3.469 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.004 1.866 -9.526 1.00 0.00 H new ATOM 0 HG SER A 33 0.974 2.289 -10.563 1.00 0.00 H new ATOM 412 N ILE A 34 1.770 4.082 -6.241 1.00 0.00 N ATOM 413 CA ILE A 34 0.952 5.036 -5.505 1.00 0.00 C ATOM 414 C ILE A 34 0.668 6.278 -6.343 1.00 0.00 C ATOM 415 O ILE A 34 1.589 6.966 -6.782 1.00 0.00 O ATOM 416 CB ILE A 34 1.630 5.462 -4.190 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.053 4.230 -3.387 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.692 6.338 -3.371 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.266 4.465 -2.515 1.00 0.00 C ATOM 0 H ILE A 34 2.758 4.329 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 34 0.013 4.534 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 34 2.522 6.041 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.220 3.912 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.264 3.412 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.185 6.632 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.434 7.229 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.216 5.781 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.509 3.550 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.112 4.754 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.053 5.261 -1.802 1.00 0.00 H new ATOM 431 N TRP A 35 -0.612 6.560 -6.558 1.00 0.00 N ATOM 432 CA TRP A 35 -1.018 7.721 -7.342 1.00 0.00 C ATOM 433 C TRP A 35 -0.883 9.002 -6.526 1.00 0.00 C ATOM 434 O TRP A 35 -1.739 9.318 -5.701 1.00 0.00 O ATOM 435 CB TRP A 35 -2.460 7.558 -7.823 1.00 0.00 C ATOM 436 CG TRP A 35 -2.606 6.562 -8.933 1.00 0.00 C ATOM 437 CD1 TRP A 35 -1.989 5.347 -9.030 1.00 0.00 C ATOM 438 CD2 TRP A 35 -3.421 6.695 -10.103 1.00 0.00 C ATOM 439 NE1 TRP A 35 -2.371 4.717 -10.190 1.00 0.00 N ATOM 440 CE2 TRP A 35 -3.249 5.523 -10.866 1.00 0.00 C ATOM 441 CE3 TRP A 35 -4.280 7.689 -10.580 1.00 0.00 C ATOM 442 CZ2 TRP A 35 -3.904 5.321 -12.078 1.00 0.00 C ATOM 443 CZ3 TRP A 35 -4.929 7.487 -11.783 1.00 0.00 C ATOM 444 CH2 TRP A 35 -4.739 6.312 -12.521 1.00 0.00 C ATOM 0 H TRP A 35 -1.387 6.001 -6.201 1.00 0.00 H new ATOM 0 HA TRP A 35 -0.360 7.792 -8.208 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.083 7.250 -6.983 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.835 8.525 -8.160 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.302 4.941 -8.302 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.053 3.798 -10.498 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.434 8.599 -10.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.759 4.415 -12.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -5.595 8.249 -12.161 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.261 6.185 -13.458 1.00 0.00 H new ATOM 455 N THR A 36 0.199 9.739 -6.763 1.00 0.00 N ATOM 456 CA THR A 36 0.446 10.985 -6.050 1.00 0.00 C ATOM 457 C THR A 36 0.434 12.175 -7.002 1.00 0.00 C ATOM 458 O THR A 36 1.253 13.086 -6.882 1.00 0.00 O ATOM 459 CB THR A 36 1.796 10.950 -5.308 1.00 0.00 C ATOM 460 OG1 THR A 36 2.854 10.673 -6.231 1.00 0.00 O ATOM 461 CG2 THR A 36 1.782 9.895 -4.211 1.00 0.00 C ATOM 0 H THR A 36 0.918 9.493 -7.444 1.00 0.00 H new ATOM 0 HA THR A 36 -0.358 11.097 -5.322 1.00 0.00 H new ATOM 0 HB THR A 36 1.961 11.925 -4.850 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.709 10.654 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.745 9.888 -3.701 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.993 10.125 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.598 8.915 -4.651 1.00 0.00 H new ATOM 469 N ARG A 37 -0.501 12.162 -7.947 1.00 0.00 N ATOM 470 CA ARG A 37 -0.620 13.241 -8.920 1.00 0.00 C ATOM 471 C ARG A 37 -1.587 14.313 -8.428 1.00 0.00 C ATOM 472 O ARG A 37 -1.925 15.241 -9.162 1.00 0.00 O ATOM 473 CB ARG A 37 -1.092 12.691 -10.267 1.00 0.00 C ATOM 474 CG ARG A 37 -2.390 11.905 -10.183 1.00 0.00 C ATOM 475 CD ARG A 37 -2.895 11.513 -11.563 1.00 0.00 C ATOM 476 NE ARG A 37 -2.176 10.362 -12.102 1.00 0.00 N ATOM 477 CZ ARG A 37 -1.021 10.454 -12.751 1.00 0.00 C ATOM 478 NH1 ARG A 37 -0.457 11.639 -12.942 1.00 0.00 N ATOM 479 NH2 ARG A 37 -0.428 9.360 -13.213 1.00 0.00 N ATOM 0 H ARG A 37 -1.187 11.416 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 37 0.363 13.694 -9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.224 13.520 -10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.314 12.049 -10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.235 11.008 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.146 12.503 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.959 11.282 -11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.787 12.359 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.584 9.436 -11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.910 12.482 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.430 11.707 -13.441 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.859 8.447 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.459 9.432 -13.711 1.00 0.00 H new ATOM 493 N GLU A 38 -2.029 14.177 -7.182 1.00 0.00 N ATOM 494 CA GLU A 38 -2.960 15.134 -6.594 1.00 0.00 C ATOM 495 C GLU A 38 -2.246 16.047 -5.601 1.00 0.00 C ATOM 496 O GLU A 38 -2.214 17.265 -5.774 1.00 0.00 O ATOM 497 CB GLU A 38 -4.107 14.401 -5.896 1.00 0.00 C ATOM 498 CG GLU A 38 -5.363 15.241 -5.742 1.00 0.00 C ATOM 499 CD GLU A 38 -6.146 15.359 -7.036 1.00 0.00 C ATOM 500 OE1 GLU A 38 -6.995 14.481 -7.297 1.00 0.00 O ATOM 501 OE2 GLU A 38 -5.911 16.328 -7.787 1.00 0.00 O ATOM 0 H GLU A 38 -1.758 13.415 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.367 15.747 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.349 13.501 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.773 14.078 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.999 14.800 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.089 16.237 -5.395 1.00 0.00 H new ATOM 508 N ALA A 39 -1.674 15.448 -4.561 1.00 0.00 N ATOM 509 CA ALA A 39 -0.959 16.207 -3.542 1.00 0.00 C ATOM 510 C ALA A 39 0.244 16.928 -4.138 1.00 0.00 C ATOM 511 O ALA A 39 0.826 16.477 -5.123 1.00 0.00 O ATOM 512 CB ALA A 39 -0.519 15.287 -2.412 1.00 0.00 C ATOM 0 H ALA A 39 -1.692 14.441 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.638 16.959 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.014 15.866 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.395 14.821 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.140 14.514 -2.808 1.00 0.00 H new ATOM 518 N GLY A 40 0.613 18.054 -3.533 1.00 0.00 N ATOM 519 CA GLY A 40 1.745 18.821 -4.018 1.00 0.00 C ATOM 520 C GLY A 40 3.066 18.112 -3.792 1.00 0.00 C ATOM 521 O GLY A 40 3.777 17.793 -4.743 1.00 0.00 O ATOM 0 H GLY A 40 0.147 18.448 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.618 19.016 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.765 19.789 -3.517 1.00 0.00 H new ATOM 525 N ALA A 41 3.394 17.866 -2.528 1.00 0.00 N ATOM 526 CA ALA A 41 4.637 17.191 -2.179 1.00 0.00 C ATOM 527 C ALA A 41 4.609 16.699 -0.736 1.00 0.00 C ATOM 528 O ALA A 41 3.887 17.240 0.100 1.00 0.00 O ATOM 529 CB ALA A 41 5.822 18.120 -2.399 1.00 0.00 C ATOM 0 H ALA A 41 2.816 18.124 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 41 4.744 16.323 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.744 17.603 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.861 18.418 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.711 19.006 -1.774 1.00 0.00 H new ATOM 535 N GLY A 42 5.399 15.668 -0.451 1.00 0.00 N ATOM 536 CA GLY A 42 5.448 15.120 0.892 1.00 0.00 C ATOM 537 C GLY A 42 6.164 13.785 0.947 1.00 0.00 C ATOM 538 O GLY A 42 6.418 13.166 -0.085 1.00 0.00 O ATOM 0 H GLY A 42 6.006 15.203 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.952 15.827 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.433 15.000 1.270 1.00 0.00 H new ATOM 542 N GLY A 43 6.492 13.340 2.157 1.00 0.00 N ATOM 543 CA GLY A 43 7.181 12.074 2.320 1.00 0.00 C ATOM 544 C GLY A 43 6.233 10.892 2.314 1.00 0.00 C ATOM 545 O GLY A 43 5.013 11.065 2.349 1.00 0.00 O ATOM 0 H GLY A 43 6.292 13.834 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.910 11.955 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.737 12.085 3.257 1.00 0.00 H new ATOM 549 N LEU A 44 6.790 9.688 2.268 1.00 0.00 N ATOM 550 CA LEU A 44 5.985 8.471 2.256 1.00 0.00 C ATOM 551 C LEU A 44 6.607 7.397 3.142 1.00 0.00 C ATOM 552 O LEU A 44 7.828 7.244 3.185 1.00 0.00 O ATOM 553 CB LEU A 44 5.839 7.947 0.826 1.00 0.00 C ATOM 554 CG LEU A 44 4.703 8.555 0.001 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.923 8.298 -1.481 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.361 7.994 0.448 1.00 0.00 C ATOM 0 H LEU A 44 7.797 9.527 2.238 1.00 0.00 H new ATOM 0 HA LEU A 44 4.998 8.714 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.777 8.121 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.693 6.868 0.869 1.00 0.00 H new ATOM 0 HG LEU A 44 4.697 9.633 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.105 8.738 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.866 8.748 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.956 7.224 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.564 8.437 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.356 6.912 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.200 8.230 1.500 1.00 0.00 H new ATOM 568 N SER A 45 5.760 6.654 3.845 1.00 0.00 N ATOM 569 CA SER A 45 6.227 5.594 4.732 1.00 0.00 C ATOM 570 C SER A 45 5.436 4.309 4.507 1.00 0.00 C ATOM 571 O SER A 45 4.214 4.338 4.355 1.00 0.00 O ATOM 572 CB SER A 45 6.105 6.031 6.193 1.00 0.00 C ATOM 573 OG SER A 45 6.717 5.092 7.060 1.00 0.00 O ATOM 0 H SER A 45 4.746 6.766 3.818 1.00 0.00 H new ATOM 0 HA SER A 45 7.275 5.400 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.570 7.008 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.053 6.141 6.456 1.00 0.00 H new ATOM 0 HG SER A 45 6.627 5.396 7.987 1.00 0.00 H new ATOM 579 N ILE A 46 6.141 3.183 4.487 1.00 0.00 N ATOM 580 CA ILE A 46 5.505 1.888 4.281 1.00 0.00 C ATOM 581 C ILE A 46 5.929 0.891 5.355 1.00 0.00 C ATOM 582 O ILE A 46 7.116 0.731 5.633 1.00 0.00 O ATOM 583 CB ILE A 46 5.846 1.307 2.895 1.00 0.00 C ATOM 584 CG1 ILE A 46 5.295 2.211 1.791 1.00 0.00 C ATOM 585 CG2 ILE A 46 5.289 -0.103 2.761 1.00 0.00 C ATOM 586 CD1 ILE A 46 6.076 2.130 0.498 1.00 0.00 C ATOM 0 H ILE A 46 7.153 3.141 4.611 1.00 0.00 H new ATOM 0 HA ILE A 46 4.429 2.051 4.343 1.00 0.00 H new ATOM 0 HB ILE A 46 6.930 1.259 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.257 1.942 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.296 3.243 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.538 -0.500 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.724 -0.741 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.206 -0.079 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.629 2.797 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.109 2.428 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.053 1.107 0.123 1.00 0.00 H new ATOM 598 N ALA A 47 4.947 0.223 5.954 1.00 0.00 N ATOM 599 CA ALA A 47 5.218 -0.760 6.994 1.00 0.00 C ATOM 600 C ALA A 47 4.285 -1.961 6.872 1.00 0.00 C ATOM 601 O ALA A 47 3.082 -1.850 7.107 1.00 0.00 O ATOM 602 CB ALA A 47 5.085 -0.124 8.370 1.00 0.00 C ATOM 0 H ALA A 47 3.958 0.346 5.736 1.00 0.00 H new ATOM 0 HA ALA A 47 6.241 -1.113 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.290 -0.871 9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.797 0.696 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.072 0.258 8.498 1.00 0.00 H new ATOM 608 N VAL A 48 4.848 -3.106 6.501 1.00 0.00 N ATOM 609 CA VAL A 48 4.065 -4.327 6.347 1.00 0.00 C ATOM 610 C VAL A 48 4.081 -5.155 7.626 1.00 0.00 C ATOM 611 O VAL A 48 5.116 -5.699 8.012 1.00 0.00 O ATOM 612 CB VAL A 48 4.592 -5.189 5.185 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.653 -6.354 4.915 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.776 -4.342 3.934 1.00 0.00 C ATOM 0 H VAL A 48 5.842 -3.214 6.302 1.00 0.00 H new ATOM 0 HA VAL A 48 3.042 -4.021 6.128 1.00 0.00 H new ATOM 0 HB VAL A 48 5.563 -5.594 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.042 -6.952 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.576 -6.974 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.666 -5.973 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.149 -4.967 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.819 -3.906 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.492 -3.545 4.136 1.00 0.00 H new ATOM 624 N GLU A 49 2.928 -5.246 8.281 1.00 0.00 N ATOM 625 CA GLU A 49 2.811 -6.008 9.519 1.00 0.00 C ATOM 626 C GLU A 49 1.846 -7.179 9.348 1.00 0.00 C ATOM 627 O GLU A 49 0.825 -7.063 8.670 1.00 0.00 O ATOM 628 CB GLU A 49 2.335 -5.103 10.657 1.00 0.00 C ATOM 629 CG GLU A 49 3.468 -4.422 11.406 1.00 0.00 C ATOM 630 CD GLU A 49 4.164 -5.350 12.383 1.00 0.00 C ATOM 631 OE1 GLU A 49 4.338 -6.541 12.049 1.00 0.00 O ATOM 632 OE2 GLU A 49 4.534 -4.886 13.481 1.00 0.00 O ATOM 0 H GLU A 49 2.062 -4.802 7.975 1.00 0.00 H new ATOM 0 HA GLU A 49 3.796 -6.404 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.670 -4.341 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.750 -5.695 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.196 -4.043 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.075 -3.561 11.946 1.00 0.00 H new ATOM 639 N GLY A 50 2.178 -8.307 9.967 1.00 0.00 N ATOM 640 CA GLY A 50 1.333 -9.483 9.871 1.00 0.00 C ATOM 641 C GLY A 50 1.810 -10.614 10.759 1.00 0.00 C ATOM 642 O GLY A 50 2.557 -10.408 11.716 1.00 0.00 O ATOM 0 H GLY A 50 3.017 -8.428 10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.312 -9.216 10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.307 -9.824 8.836 1.00 0.00 H new ATOM 646 N PRO A 51 1.374 -11.844 10.444 1.00 0.00 N ATOM 647 CA PRO A 51 1.748 -13.037 11.209 1.00 0.00 C ATOM 648 C PRO A 51 3.216 -13.405 11.027 1.00 0.00 C ATOM 649 O PRO A 51 3.751 -14.242 11.754 1.00 0.00 O ATOM 650 CB PRO A 51 0.847 -14.128 10.627 1.00 0.00 C ATOM 651 CG PRO A 51 0.532 -13.664 9.247 1.00 0.00 C ATOM 652 CD PRO A 51 0.482 -12.162 9.317 1.00 0.00 C ATOM 0 HA PRO A 51 1.623 -12.889 12.282 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.353 -15.094 10.614 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.059 -14.251 11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.292 -13.997 8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.420 -14.071 8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.827 -11.705 8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.532 -11.801 9.492 1.00 0.00 H new ATOM 660 N SER A 52 3.864 -12.775 10.052 1.00 0.00 N ATOM 661 CA SER A 52 5.269 -13.038 9.773 1.00 0.00 C ATOM 662 C SER A 52 5.972 -11.776 9.280 1.00 0.00 C ATOM 663 O SER A 52 5.346 -10.731 9.105 1.00 0.00 O ATOM 664 CB SER A 52 5.404 -14.150 8.729 1.00 0.00 C ATOM 665 OG SER A 52 6.623 -14.854 8.890 1.00 0.00 O ATOM 0 H SER A 52 3.437 -12.078 9.442 1.00 0.00 H new ATOM 0 HA SER A 52 5.743 -13.359 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.566 -14.841 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.357 -13.721 7.728 1.00 0.00 H new ATOM 0 HG SER A 52 6.472 -15.646 9.448 1.00 0.00 H new ATOM 671 N LYS A 53 7.278 -11.883 9.058 1.00 0.00 N ATOM 672 CA LYS A 53 8.068 -10.752 8.584 1.00 0.00 C ATOM 673 C LYS A 53 8.001 -10.640 7.064 1.00 0.00 C ATOM 674 O LYS A 53 8.143 -11.633 6.352 1.00 0.00 O ATOM 675 CB LYS A 53 9.525 -10.899 9.032 1.00 0.00 C ATOM 676 CG LYS A 53 10.372 -9.670 8.755 1.00 0.00 C ATOM 677 CD LYS A 53 11.804 -9.860 9.230 1.00 0.00 C ATOM 678 CE LYS A 53 12.607 -10.703 8.251 1.00 0.00 C ATOM 679 NZ LYS A 53 14.073 -10.552 8.464 1.00 0.00 N ATOM 0 H LYS A 53 7.812 -12.741 9.199 1.00 0.00 H new ATOM 0 HA LYS A 53 7.651 -9.842 9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.548 -11.113 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.967 -11.757 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.368 -9.457 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.934 -8.805 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.281 -8.887 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.804 -10.339 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.330 -11.751 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.356 -10.413 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.586 -11.142 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.342 -9.556 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.316 -10.853 9.429 1.00 0.00 H new ATOM 693 N ALA A 54 7.786 -9.423 6.574 1.00 0.00 N ATOM 694 CA ALA A 54 7.704 -9.181 5.140 1.00 0.00 C ATOM 695 C ALA A 54 8.853 -8.299 4.666 1.00 0.00 C ATOM 696 O ALA A 54 9.241 -7.351 5.347 1.00 0.00 O ATOM 697 CB ALA A 54 6.368 -8.545 4.788 1.00 0.00 C ATOM 0 H ALA A 54 7.666 -8.590 7.150 1.00 0.00 H new ATOM 0 HA ALA A 54 7.783 -10.141 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.320 -8.370 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.558 -9.212 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.266 -7.596 5.315 1.00 0.00 H new ATOM 703 N GLU A 55 9.394 -8.619 3.494 1.00 0.00 N ATOM 704 CA GLU A 55 10.501 -7.855 2.931 1.00 0.00 C ATOM 705 C GLU A 55 9.993 -6.604 2.220 1.00 0.00 C ATOM 706 O GLU A 55 8.892 -6.595 1.670 1.00 0.00 O ATOM 707 CB GLU A 55 11.302 -8.719 1.955 1.00 0.00 C ATOM 708 CG GLU A 55 12.661 -8.138 1.600 1.00 0.00 C ATOM 709 CD GLU A 55 13.662 -9.202 1.195 1.00 0.00 C ATOM 710 OE1 GLU A 55 14.136 -9.940 2.083 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.972 -9.295 -0.012 1.00 0.00 O ATOM 0 H GLU A 55 9.084 -9.401 2.917 1.00 0.00 H new ATOM 0 HA GLU A 55 11.150 -7.548 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.442 -9.709 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.723 -8.851 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.545 -7.424 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.050 -7.585 2.455 1.00 0.00 H new ATOM 718 N ILE A 56 10.803 -5.551 2.237 1.00 0.00 N ATOM 719 CA ILE A 56 10.436 -4.295 1.594 1.00 0.00 C ATOM 720 C ILE A 56 11.606 -3.720 0.803 1.00 0.00 C ATOM 721 O ILE A 56 12.748 -3.732 1.264 1.00 0.00 O ATOM 722 CB ILE A 56 9.965 -3.252 2.624 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.725 -3.759 3.365 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.674 -1.926 1.939 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.414 -2.980 4.623 1.00 0.00 C ATOM 0 H ILE A 56 11.717 -5.542 2.689 1.00 0.00 H new ATOM 0 HA ILE A 56 9.615 -4.517 0.913 1.00 0.00 H new ATOM 0 HB ILE A 56 10.761 -3.096 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.866 -3.711 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.869 -4.808 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.342 -1.199 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.579 -1.561 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.892 -2.066 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.524 -3.394 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.256 -3.049 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.238 -1.935 4.369 1.00 0.00 H new ATOM 737 N THR A 57 11.315 -3.215 -0.392 1.00 0.00 N ATOM 738 CA THR A 57 12.342 -2.635 -1.248 1.00 0.00 C ATOM 739 C THR A 57 11.863 -1.330 -1.873 1.00 0.00 C ATOM 740 O THR A 57 10.848 -1.298 -2.569 1.00 0.00 O ATOM 741 CB THR A 57 12.755 -3.607 -2.369 1.00 0.00 C ATOM 742 OG1 THR A 57 13.154 -4.862 -1.807 1.00 0.00 O ATOM 743 CG2 THR A 57 13.895 -3.029 -3.193 1.00 0.00 C ATOM 0 H THR A 57 10.376 -3.196 -0.789 1.00 0.00 H new ATOM 0 HA THR A 57 13.206 -2.436 -0.614 1.00 0.00 H new ATOM 0 HB THR A 57 11.896 -3.759 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.414 -5.475 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.170 -3.733 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.578 -2.088 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.756 -2.851 -2.549 1.00 0.00 H new ATOM 751 N PHE A 58 12.600 -0.253 -1.621 1.00 0.00 N ATOM 752 CA PHE A 58 12.250 1.056 -2.160 1.00 0.00 C ATOM 753 C PHE A 58 13.347 1.575 -3.084 1.00 0.00 C ATOM 754 O PHE A 58 14.492 1.756 -2.667 1.00 0.00 O ATOM 755 CB PHE A 58 12.012 2.053 -1.022 1.00 0.00 C ATOM 756 CG PHE A 58 11.237 3.268 -1.443 1.00 0.00 C ATOM 757 CD1 PHE A 58 11.883 4.363 -1.991 1.00 0.00 C ATOM 758 CD2 PHE A 58 9.860 3.314 -1.290 1.00 0.00 C ATOM 759 CE1 PHE A 58 11.171 5.483 -2.378 1.00 0.00 C ATOM 760 CE2 PHE A 58 9.143 4.432 -1.676 1.00 0.00 C ATOM 761 CZ PHE A 58 9.800 5.517 -2.221 1.00 0.00 C ATOM 0 H PHE A 58 13.443 -0.261 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 58 11.332 0.949 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.476 1.551 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.974 2.367 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.955 4.342 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.341 2.468 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.687 6.331 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.071 4.456 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.242 6.391 -2.524 1.00 0.00 H new ATOM 771 N ASP A 59 12.991 1.813 -4.341 1.00 0.00 N ATOM 772 CA ASP A 59 13.944 2.312 -5.326 1.00 0.00 C ATOM 773 C ASP A 59 13.314 3.399 -6.191 1.00 0.00 C ATOM 774 O ASP A 59 12.442 3.122 -7.014 1.00 0.00 O ATOM 775 CB ASP A 59 14.445 1.167 -6.207 1.00 0.00 C ATOM 776 CG ASP A 59 13.398 0.702 -7.201 1.00 0.00 C ATOM 777 OD1 ASP A 59 12.555 -0.140 -6.824 1.00 0.00 O ATOM 778 OD2 ASP A 59 13.422 1.177 -8.354 1.00 0.00 O ATOM 0 H ASP A 59 12.048 1.668 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 59 14.789 2.745 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.336 1.490 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.740 0.329 -5.576 1.00 0.00 H new ATOM 783 N ASP A 60 13.760 4.635 -5.997 1.00 0.00 N ATOM 784 CA ASP A 60 13.239 5.764 -6.759 1.00 0.00 C ATOM 785 C ASP A 60 13.617 5.645 -8.233 1.00 0.00 C ATOM 786 O ASP A 60 14.773 5.840 -8.606 1.00 0.00 O ATOM 787 CB ASP A 60 13.771 7.080 -6.189 1.00 0.00 C ATOM 788 CG ASP A 60 13.633 8.232 -7.165 1.00 0.00 C ATOM 789 OD1 ASP A 60 12.505 8.746 -7.321 1.00 0.00 O ATOM 790 OD2 ASP A 60 14.652 8.619 -7.773 1.00 0.00 O ATOM 0 H ASP A 60 14.481 4.881 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 60 12.152 5.755 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.233 7.319 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.821 6.959 -5.921 1.00 0.00 H new ATOM 795 N HIS A 61 12.632 5.321 -9.066 1.00 0.00 N ATOM 796 CA HIS A 61 12.861 5.175 -10.499 1.00 0.00 C ATOM 797 C HIS A 61 12.664 6.506 -11.218 1.00 0.00 C ATOM 798 O HIS A 61 13.536 6.957 -11.962 1.00 0.00 O ATOM 799 CB HIS A 61 11.917 4.123 -11.082 1.00 0.00 C ATOM 800 CG HIS A 61 11.923 4.076 -12.579 1.00 0.00 C ATOM 801 ND1 HIS A 61 10.910 4.600 -13.353 1.00 0.00 N ATOM 802 CD2 HIS A 61 12.830 3.566 -13.445 1.00 0.00 C ATOM 803 CE1 HIS A 61 11.191 4.413 -14.630 1.00 0.00 C ATOM 804 NE2 HIS A 61 12.352 3.787 -14.713 1.00 0.00 N ATOM 0 H HIS A 61 11.669 5.155 -8.773 1.00 0.00 H new ATOM 0 HA HIS A 61 13.891 4.851 -10.647 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.195 3.143 -10.695 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.903 4.326 -10.737 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.757 3.076 -13.187 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.577 4.719 -15.464 1.00 0.00 H new ATOM 0 HE2 HIS A 61 12.817 3.513 -15.578 1.00 0.00 H new ATOM 812 N LYS A 62 11.513 7.131 -10.993 1.00 0.00 N ATOM 813 CA LYS A 62 11.202 8.411 -11.619 1.00 0.00 C ATOM 814 C LYS A 62 10.559 9.364 -10.617 1.00 0.00 C ATOM 815 O LYS A 62 10.268 8.984 -9.484 1.00 0.00 O ATOM 816 CB LYS A 62 10.268 8.203 -12.814 1.00 0.00 C ATOM 817 CG LYS A 62 10.954 7.594 -14.025 1.00 0.00 C ATOM 818 CD LYS A 62 11.640 8.656 -14.868 1.00 0.00 C ATOM 819 CE LYS A 62 10.669 9.310 -15.839 1.00 0.00 C ATOM 820 NZ LYS A 62 10.393 8.441 -17.018 1.00 0.00 N ATOM 0 H LYS A 62 10.780 6.772 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 62 12.135 8.854 -11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.443 7.558 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.835 9.162 -13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.688 6.858 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.220 7.064 -14.632 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.072 9.416 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.463 8.206 -15.423 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.734 9.531 -15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.079 10.261 -16.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.823 8.967 -17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.292 8.153 -17.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.871 7.595 -16.711 1.00 0.00 H new ATOM 834 N ASN A 63 10.340 10.604 -11.044 1.00 0.00 N ATOM 835 CA ASN A 63 9.731 11.611 -10.184 1.00 0.00 C ATOM 836 C ASN A 63 8.237 11.354 -10.018 1.00 0.00 C ATOM 837 O ASN A 63 7.642 11.717 -9.004 1.00 0.00 O ATOM 838 CB ASN A 63 9.958 13.010 -10.762 1.00 0.00 C ATOM 839 CG ASN A 63 11.418 13.278 -11.071 1.00 0.00 C ATOM 840 OD1 ASN A 63 12.112 12.428 -11.628 1.00 0.00 O ATOM 841 ND2 ASN A 63 11.891 14.465 -10.709 1.00 0.00 N ATOM 0 H ASN A 63 10.575 10.935 -11.980 1.00 0.00 H new ATOM 0 HA ASN A 63 10.203 11.549 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.370 13.124 -11.673 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.596 13.756 -10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.866 14.702 -10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.279 15.139 -10.249 1.00 0.00 H new ATOM 848 N GLY A 64 7.635 10.722 -11.022 1.00 0.00 N ATOM 849 CA GLY A 64 6.216 10.426 -10.968 1.00 0.00 C ATOM 850 C GLY A 64 5.894 9.306 -9.999 1.00 0.00 C ATOM 851 O GLY A 64 5.112 9.488 -9.066 1.00 0.00 O ATOM 0 H GLY A 64 8.106 10.410 -11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.672 11.324 -10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.867 10.152 -11.964 1.00 0.00 H new ATOM 855 N SER A 65 6.498 8.143 -10.220 1.00 0.00 N ATOM 856 CA SER A 65 6.267 6.986 -9.362 1.00 0.00 C ATOM 857 C SER A 65 7.579 6.476 -8.773 1.00 0.00 C ATOM 858 O SER A 65 8.662 6.826 -9.245 1.00 0.00 O ATOM 859 CB SER A 65 5.580 5.869 -10.150 1.00 0.00 C ATOM 860 OG SER A 65 4.215 6.171 -10.379 1.00 0.00 O ATOM 0 H SER A 65 7.151 7.977 -10.986 1.00 0.00 H new ATOM 0 HA SER A 65 5.617 7.296 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.089 5.726 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.661 4.930 -9.602 1.00 0.00 H new ATOM 0 HG SER A 65 3.799 5.442 -10.886 1.00 0.00 H new ATOM 866 N CYS A 66 7.474 5.648 -7.740 1.00 0.00 N ATOM 867 CA CYS A 66 8.651 5.090 -7.084 1.00 0.00 C ATOM 868 C CYS A 66 8.690 3.572 -7.236 1.00 0.00 C ATOM 869 O CYS A 66 9.754 2.984 -7.416 1.00 0.00 O ATOM 870 CB CYS A 66 8.662 5.467 -5.603 1.00 0.00 C ATOM 871 SG CYS A 66 7.165 4.989 -4.708 1.00 0.00 S ATOM 0 H CYS A 66 6.586 5.348 -7.338 1.00 0.00 H new ATOM 0 HA CYS A 66 9.536 5.508 -7.564 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.523 4.998 -5.126 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.797 6.545 -5.515 1.00 0.00 H new ATOM 0 HG CYS A 66 7.471 4.687 -3.481 1.00 0.00 H new ATOM 877 N GLY A 67 7.519 2.945 -7.161 1.00 0.00 N ATOM 878 CA GLY A 67 7.442 1.502 -7.291 1.00 0.00 C ATOM 879 C GLY A 67 7.906 0.782 -6.040 1.00 0.00 C ATOM 880 O GLY A 67 9.106 0.653 -5.799 1.00 0.00 O ATOM 0 H GLY A 67 6.624 3.411 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.414 1.214 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.051 1.183 -8.137 1.00 0.00 H new ATOM 884 N VAL A 68 6.954 0.313 -5.240 1.00 0.00 N ATOM 885 CA VAL A 68 7.270 -0.397 -4.007 1.00 0.00 C ATOM 886 C VAL A 68 6.857 -1.862 -4.094 1.00 0.00 C ATOM 887 O VAL A 68 5.766 -2.182 -4.566 1.00 0.00 O ATOM 888 CB VAL A 68 6.577 0.250 -2.793 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.930 -0.499 -1.516 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.958 1.718 -2.682 1.00 0.00 C ATOM 0 H VAL A 68 5.956 0.412 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 68 8.350 -0.335 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 68 5.498 0.188 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.432 -0.028 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.602 -1.535 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.009 -0.471 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.459 2.159 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.038 1.806 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.650 2.243 -3.586 1.00 0.00 H new ATOM 900 N SER A 69 7.736 -2.747 -3.637 1.00 0.00 N ATOM 901 CA SER A 69 7.463 -4.180 -3.665 1.00 0.00 C ATOM 902 C SER A 69 7.719 -4.810 -2.299 1.00 0.00 C ATOM 903 O SER A 69 8.565 -4.341 -1.536 1.00 0.00 O ATOM 904 CB SER A 69 8.328 -4.864 -4.725 1.00 0.00 C ATOM 905 OG SER A 69 7.696 -6.028 -5.227 1.00 0.00 O ATOM 0 H SER A 69 8.643 -2.498 -3.243 1.00 0.00 H new ATOM 0 HA SER A 69 6.412 -4.319 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.522 -4.170 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.294 -5.128 -4.295 1.00 0.00 H new ATOM 0 HG SER A 69 8.269 -6.445 -5.904 1.00 0.00 H new ATOM 911 N TYR A 70 6.985 -5.874 -1.998 1.00 0.00 N ATOM 912 CA TYR A 70 7.130 -6.567 -0.723 1.00 0.00 C ATOM 913 C TYR A 70 6.818 -8.054 -0.874 1.00 0.00 C ATOM 914 O TYR A 70 5.854 -8.432 -1.541 1.00 0.00 O ATOM 915 CB TYR A 70 6.208 -5.945 0.327 1.00 0.00 C ATOM 916 CG TYR A 70 4.742 -6.223 0.087 1.00 0.00 C ATOM 917 CD1 TYR A 70 3.974 -5.375 -0.701 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.124 -7.334 0.649 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.632 -5.625 -0.922 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.785 -7.592 0.433 1.00 0.00 C ATOM 921 CZ TYR A 70 2.043 -6.735 -0.353 1.00 0.00 C ATOM 922 OH TYR A 70 0.709 -6.988 -0.571 1.00 0.00 O ATOM 0 H TYR A 70 6.283 -6.276 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 70 8.164 -6.462 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.485 -6.324 1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.366 -4.867 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.433 -4.506 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.701 -8.007 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.049 -4.955 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.321 -8.460 0.877 1.00 0.00 H new ATOM 0 HH TYR A 70 0.277 -7.218 0.278 1.00 0.00 H new ATOM 932 N ILE A 71 7.638 -8.890 -0.246 1.00 0.00 N ATOM 933 CA ILE A 71 7.450 -10.334 -0.308 1.00 0.00 C ATOM 934 C ILE A 71 7.129 -10.905 1.069 1.00 0.00 C ATOM 935 O ILE A 71 7.770 -10.559 2.060 1.00 0.00 O ATOM 936 CB ILE A 71 8.699 -11.041 -0.866 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.817 -10.800 -2.373 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.642 -12.531 -0.567 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.171 -11.168 -2.939 1.00 0.00 C ATOM 0 H ILE A 71 8.439 -8.592 0.311 1.00 0.00 H new ATOM 0 HA ILE A 71 6.610 -10.515 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 71 9.581 -10.626 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.048 -11.377 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.618 -9.749 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.532 -13.017 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.599 -12.684 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.754 -12.961 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.183 -10.971 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.943 -10.572 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.364 -12.226 -2.762 1.00 0.00 H new ATOM 951 N ALA A 72 6.133 -11.784 1.121 1.00 0.00 N ATOM 952 CA ALA A 72 5.729 -12.407 2.375 1.00 0.00 C ATOM 953 C ALA A 72 6.129 -13.879 2.411 1.00 0.00 C ATOM 954 O ALA A 72 5.541 -14.707 1.716 1.00 0.00 O ATOM 955 CB ALA A 72 4.228 -12.261 2.577 1.00 0.00 C ATOM 0 H ALA A 72 5.591 -12.080 0.309 1.00 0.00 H new ATOM 0 HA ALA A 72 6.245 -11.897 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.940 -12.731 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.966 -11.203 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.701 -12.744 1.754 1.00 0.00 H new ATOM 961 N GLN A 73 7.131 -14.195 3.224 1.00 0.00 N ATOM 962 CA GLN A 73 7.610 -15.567 3.347 1.00 0.00 C ATOM 963 C GLN A 73 6.483 -16.498 3.782 1.00 0.00 C ATOM 964 O GLN A 73 6.467 -17.677 3.425 1.00 0.00 O ATOM 965 CB GLN A 73 8.762 -15.639 4.351 1.00 0.00 C ATOM 966 CG GLN A 73 9.809 -14.555 4.154 1.00 0.00 C ATOM 967 CD GLN A 73 10.063 -14.249 2.691 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.155 -13.087 2.295 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.177 -15.293 1.878 1.00 0.00 N ATOM 0 H GLN A 73 7.627 -13.521 3.807 1.00 0.00 H new ATOM 0 HA GLN A 73 7.968 -15.890 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.358 -15.563 5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.242 -16.615 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.485 -13.646 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.742 -14.867 4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.094 -16.240 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.348 -15.148 0.883 1.00 0.00 H new ATOM 978 N GLU A 74 5.541 -15.963 4.553 1.00 0.00 N ATOM 979 CA GLU A 74 4.412 -16.748 5.036 1.00 0.00 C ATOM 980 C GLU A 74 3.090 -16.101 4.637 1.00 0.00 C ATOM 981 O GLU A 74 2.950 -14.877 4.610 1.00 0.00 O ATOM 982 CB GLU A 74 4.480 -16.898 6.557 1.00 0.00 C ATOM 983 CG GLU A 74 5.872 -17.219 7.075 1.00 0.00 C ATOM 984 CD GLU A 74 5.849 -17.892 8.434 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.615 -17.190 9.439 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.063 -19.121 8.491 1.00 0.00 O ATOM 0 H GLU A 74 5.538 -14.989 4.856 1.00 0.00 H new ATOM 0 HA GLU A 74 4.467 -17.736 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.133 -15.975 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.795 -17.687 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.380 -17.867 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.453 -16.299 7.139 1.00 0.00 H new ATOM 993 N PRO A 75 2.093 -16.940 4.318 1.00 0.00 N ATOM 994 CA PRO A 75 0.763 -16.473 3.914 1.00 0.00 C ATOM 995 C PRO A 75 -0.006 -15.844 5.071 1.00 0.00 C ATOM 996 O PRO A 75 0.311 -16.071 6.237 1.00 0.00 O ATOM 997 CB PRO A 75 0.066 -17.752 3.442 1.00 0.00 C ATOM 998 CG PRO A 75 0.758 -18.851 4.170 1.00 0.00 C ATOM 999 CD PRO A 75 2.187 -18.410 4.327 1.00 0.00 C ATOM 0 HA PRO A 75 0.818 -15.695 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.999 -17.732 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.154 -17.875 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.295 -19.027 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.697 -19.786 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.622 -18.779 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.813 -18.778 3.514 1.00 0.00 H new ATOM 1007 N GLY A 76 -1.021 -15.050 4.739 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.819 -14.400 5.761 1.00 0.00 C ATOM 1009 C GLY A 76 -2.265 -13.010 5.352 1.00 0.00 C ATOM 1010 O GLY A 76 -2.047 -12.590 4.216 1.00 0.00 O ATOM 0 H GLY A 76 -1.304 -14.846 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.696 -15.011 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.241 -14.336 6.683 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.892 -12.294 6.280 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.370 -10.944 6.010 1.00 0.00 C ATOM 1016 C ASN A 77 -2.378 -9.902 6.514 1.00 0.00 C ATOM 1017 O ASN A 77 -2.375 -9.552 7.694 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.736 -10.724 6.665 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.651 -10.694 8.180 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.937 -11.492 8.788 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.381 -9.771 8.795 1.00 0.00 N ATOM 0 H ASN A 77 -3.081 -12.627 7.226 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.469 -10.831 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.160 -9.785 6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.416 -11.518 6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.365 -9.702 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.958 -9.131 8.250 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.535 -9.411 5.613 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.535 -8.410 5.967 1.00 0.00 C ATOM 1030 C TYR A 78 -1.116 -7.002 5.874 1.00 0.00 C ATOM 1031 O TYR A 78 -1.560 -6.572 4.810 1.00 0.00 O ATOM 1032 CB TYR A 78 0.684 -8.532 5.051 1.00 0.00 C ATOM 1033 CG TYR A 78 1.533 -9.751 5.332 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.182 -10.997 4.827 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.687 -9.658 6.100 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.954 -12.115 5.081 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.465 -10.769 6.358 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.094 -11.995 5.847 1.00 0.00 C ATOM 1039 OH TYR A 78 3.867 -13.106 6.101 1.00 0.00 O ATOM 0 H TYR A 78 -1.524 -9.690 4.632 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.227 -8.589 6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.347 -8.565 4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.299 -7.639 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.290 -11.094 4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.981 -8.700 6.502 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.666 -13.076 4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.359 -10.678 6.957 1.00 0.00 H new ATOM 0 HH TYR A 78 3.779 -13.742 5.361 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.108 -6.291 6.997 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.634 -4.932 7.044 1.00 0.00 C ATOM 1051 C GLU A 79 -0.525 -3.911 6.805 1.00 0.00 C ATOM 1052 O GLU A 79 0.251 -3.598 7.708 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.305 -4.666 8.393 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.416 -3.633 8.327 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.702 -2.997 9.674 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.853 -2.215 10.151 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.772 -3.282 10.250 1.00 0.00 O ATOM 0 H GLU A 79 -0.743 -6.633 7.886 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.376 -4.830 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.712 -5.601 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.551 -4.331 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.143 -2.856 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.324 -4.105 7.952 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.457 -3.394 5.582 1.00 0.00 N ATOM 1065 CA VAL A 80 0.555 -2.409 5.224 1.00 0.00 C ATOM 1066 C VAL A 80 0.103 -0.999 5.589 1.00 0.00 C ATOM 1067 O VAL A 80 -0.819 -0.455 4.983 1.00 0.00 O ATOM 1068 CB VAL A 80 0.878 -2.458 3.719 1.00 0.00 C ATOM 1069 CG1 VAL A 80 2.020 -1.508 3.386 1.00 0.00 C ATOM 1070 CG2 VAL A 80 1.214 -3.879 3.292 1.00 0.00 C ATOM 0 H VAL A 80 -1.091 -3.642 4.823 1.00 0.00 H new ATOM 0 HA VAL A 80 1.453 -2.658 5.790 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.004 -2.136 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.234 -1.556 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.736 -0.490 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.909 -1.796 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.440 -3.895 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.080 -4.232 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.363 -4.530 3.493 1.00 0.00 H new ATOM 1080 N SER A 81 0.760 -0.413 6.586 1.00 0.00 N ATOM 1081 CA SER A 81 0.425 0.933 7.036 1.00 0.00 C ATOM 1082 C SER A 81 1.148 1.982 6.198 1.00 0.00 C ATOM 1083 O SER A 81 2.379 2.023 6.163 1.00 0.00 O ATOM 1084 CB SER A 81 0.785 1.105 8.512 1.00 0.00 C ATOM 1085 OG SER A 81 0.454 2.404 8.970 1.00 0.00 O ATOM 0 H SER A 81 1.527 -0.850 7.097 1.00 0.00 H new ATOM 0 HA SER A 81 -0.649 1.073 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.257 0.361 9.107 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.851 0.927 8.653 1.00 0.00 H new ATOM 0 HG SER A 81 0.692 2.488 9.917 1.00 0.00 H new ATOM 1091 N ILE A 82 0.377 2.828 5.524 1.00 0.00 N ATOM 1092 CA ILE A 82 0.944 3.878 4.687 1.00 0.00 C ATOM 1093 C ILE A 82 0.644 5.260 5.259 1.00 0.00 C ATOM 1094 O ILE A 82 -0.516 5.650 5.392 1.00 0.00 O ATOM 1095 CB ILE A 82 0.404 3.804 3.247 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.913 2.538 2.554 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.810 5.043 2.463 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.445 2.405 1.121 1.00 0.00 C ATOM 0 H ILE A 82 -0.643 2.807 5.541 1.00 0.00 H new ATOM 0 HA ILE A 82 2.022 3.720 4.671 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.685 3.764 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.003 2.536 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.582 1.666 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.420 4.975 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.404 5.930 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.897 5.113 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.843 1.485 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.644 2.375 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.799 3.258 0.542 1.00 0.00 H new ATOM 1110 N LYS A 83 1.697 5.996 5.596 1.00 0.00 N ATOM 1111 CA LYS A 83 1.549 7.336 6.151 1.00 0.00 C ATOM 1112 C LYS A 83 2.170 8.380 5.229 1.00 0.00 C ATOM 1113 O LYS A 83 3.338 8.273 4.852 1.00 0.00 O ATOM 1114 CB LYS A 83 2.197 7.412 7.535 1.00 0.00 C ATOM 1115 CG LYS A 83 1.268 7.004 8.666 1.00 0.00 C ATOM 1116 CD LYS A 83 1.632 7.700 9.966 1.00 0.00 C ATOM 1117 CE LYS A 83 2.889 7.106 10.584 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.611 5.816 11.273 1.00 0.00 N ATOM 0 H LYS A 83 2.664 5.687 5.494 1.00 0.00 H new ATOM 0 HA LYS A 83 0.484 7.547 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.078 6.770 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.542 8.431 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.240 7.246 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.315 5.924 8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.784 8.763 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.804 7.615 10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.637 6.949 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.313 7.814 11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.485 5.460 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.891 5.964 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.262 5.122 10.582 1.00 0.00 H new ATOM 1132 N PHE A 84 1.384 9.389 4.869 1.00 0.00 N ATOM 1133 CA PHE A 84 1.858 10.452 3.991 1.00 0.00 C ATOM 1134 C PHE A 84 2.246 11.689 4.795 1.00 0.00 C ATOM 1135 O PHE A 84 1.466 12.183 5.607 1.00 0.00 O ATOM 1136 CB PHE A 84 0.782 10.813 2.966 1.00 0.00 C ATOM 1137 CG PHE A 84 1.241 11.811 1.941 1.00 0.00 C ATOM 1138 CD1 PHE A 84 2.308 11.525 1.105 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.605 13.035 1.812 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.734 12.441 0.162 1.00 0.00 C ATOM 1141 CE2 PHE A 84 1.025 13.956 0.871 1.00 0.00 C ATOM 1142 CZ PHE A 84 2.090 13.658 0.044 1.00 0.00 C ATOM 0 H PHE A 84 0.416 9.493 5.172 1.00 0.00 H new ATOM 0 HA PHE A 84 2.742 10.089 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.457 9.905 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.086 11.214 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.813 10.574 1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.230 13.273 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.569 12.206 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.521 14.907 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.419 14.375 -0.694 1.00 0.00 H new ATOM 1152 N ASN A 85 3.458 12.183 4.562 1.00 0.00 N ATOM 1153 CA ASN A 85 3.952 13.362 5.266 1.00 0.00 C ATOM 1154 C ASN A 85 3.607 13.292 6.751 1.00 0.00 C ATOM 1155 O ASN A 85 3.278 14.303 7.370 1.00 0.00 O ATOM 1156 CB ASN A 85 3.359 14.632 4.653 1.00 0.00 C ATOM 1157 CG ASN A 85 1.854 14.712 4.831 1.00 0.00 C ATOM 1158 OD1 ASN A 85 1.343 14.600 5.945 1.00 0.00 O ATOM 1159 ND2 ASN A 85 1.139 14.908 3.730 1.00 0.00 N ATOM 0 H ASN A 85 4.116 11.786 3.892 1.00 0.00 H new ATOM 0 HA ASN A 85 5.037 13.389 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.823 15.505 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.599 14.665 3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.123 14.972 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.606 14.995 2.827 1.00 0.00 H new ATOM 1166 N ASP A 86 3.689 12.093 7.315 1.00 0.00 N ATOM 1167 CA ASP A 86 3.388 11.891 8.729 1.00 0.00 C ATOM 1168 C ASP A 86 1.891 12.024 8.990 1.00 0.00 C ATOM 1169 O ASP A 86 1.478 12.568 10.014 1.00 0.00 O ATOM 1170 CB ASP A 86 4.161 12.895 9.585 1.00 0.00 C ATOM 1171 CG ASP A 86 5.550 13.171 9.042 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.158 12.244 8.469 1.00 0.00 O ATOM 1173 OD2 ASP A 86 6.027 14.315 9.190 1.00 0.00 O ATOM 0 H ASP A 86 3.961 11.246 6.816 1.00 0.00 H new ATOM 0 HA ASP A 86 3.697 10.882 9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.602 13.829 9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.241 12.514 10.603 1.00 0.00 H new ATOM 1178 N GLU A 87 1.086 11.526 8.058 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.365 11.593 8.188 1.00 0.00 C ATOM 1180 C GLU A 87 -1.022 10.341 7.612 1.00 0.00 C ATOM 1181 O GLU A 87 -0.661 9.881 6.528 1.00 0.00 O ATOM 1182 CB GLU A 87 -0.907 12.838 7.481 1.00 0.00 C ATOM 1183 CG GLU A 87 -0.986 14.061 8.379 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.591 15.261 7.676 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -2.835 15.333 7.591 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -0.822 16.128 7.212 1.00 0.00 O ATOM 0 H GLU A 87 1.413 11.072 7.205 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.606 11.653 9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.271 13.066 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.901 12.620 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.581 13.822 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.014 14.316 8.729 1.00 0.00 H new ATOM 1193 N HIS A 88 -1.986 9.796 8.344 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.693 8.598 7.908 1.00 0.00 C ATOM 1195 C HIS A 88 -3.768 8.945 6.881 1.00 0.00 C ATOM 1196 O HIS A 88 -4.610 9.811 7.120 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.326 7.887 9.105 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.439 6.849 9.722 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.462 5.522 9.349 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.500 6.950 10.691 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.575 4.851 10.062 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.978 5.695 10.885 1.00 0.00 N ATOM 0 H HIS A 88 -2.296 10.165 9.243 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.969 7.930 7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.586 8.628 9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.256 7.416 8.787 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.069 5.121 8.634 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.214 7.850 11.214 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.372 3.793 9.985 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.732 8.264 5.741 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.703 8.501 4.680 1.00 0.00 C ATOM 1212 C ILE A 89 -5.955 7.654 4.881 1.00 0.00 C ATOM 1213 O ILE A 89 -5.947 6.649 5.592 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.107 8.194 3.293 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.083 7.062 3.393 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.470 9.443 2.702 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.813 6.373 2.074 1.00 0.00 C ATOM 0 H ILE A 89 -3.041 7.544 5.528 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.970 9.557 4.727 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.911 7.873 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.147 7.463 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.438 6.325 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.053 9.210 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.225 10.223 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.675 9.792 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.078 5.582 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.739 5.942 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.428 7.098 1.357 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.058 8.068 4.240 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.339 7.360 4.332 1.00 0.00 C ATOM 1231 C PRO A 90 -8.310 6.014 3.617 1.00 0.00 C ATOM 1232 O PRO A 90 -9.321 5.317 3.546 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.319 8.311 3.640 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.478 9.109 2.706 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.141 9.258 3.376 1.00 0.00 C ATOM 0 HA PRO A 90 -8.604 7.128 5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.093 7.761 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.825 8.952 4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.378 8.606 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.928 10.083 2.511 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.328 9.285 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.082 10.180 3.955 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.144 5.654 3.090 1.00 0.00 N ATOM 1244 CA GLU A 91 -6.984 4.390 2.380 1.00 0.00 C ATOM 1245 C GLU A 91 -5.968 3.495 3.085 1.00 0.00 C ATOM 1246 O GLU A 91 -5.614 2.427 2.585 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.544 4.642 0.937 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.579 5.380 0.105 1.00 0.00 C ATOM 1249 CD GLU A 91 -7.448 5.094 -1.379 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -7.998 4.072 -1.836 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -6.793 5.894 -2.080 1.00 0.00 O ATOM 0 H GLU A 91 -6.297 6.219 3.141 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.948 3.881 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.618 5.217 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.322 3.687 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.577 5.097 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.479 6.452 0.275 1.00 0.00 H new ATOM 1258 N SER A 92 -5.503 3.939 4.248 1.00 0.00 N ATOM 1259 CA SER A 92 -4.525 3.182 5.020 1.00 0.00 C ATOM 1260 C SER A 92 -4.927 3.113 6.490 1.00 0.00 C ATOM 1261 O SER A 92 -5.647 3.970 7.004 1.00 0.00 O ATOM 1262 CB SER A 92 -3.139 3.816 4.889 1.00 0.00 C ATOM 1263 OG SER A 92 -2.909 4.759 5.921 1.00 0.00 O ATOM 0 H SER A 92 -5.788 4.820 4.677 1.00 0.00 H new ATOM 0 HA SER A 92 -4.493 2.168 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.375 3.039 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.050 4.305 3.919 1.00 0.00 H new ATOM 0 HG SER A 92 -2.252 5.420 5.619 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.453 2.068 7.184 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.596 1.041 6.582 1.00 0.00 C ATOM 1271 C PRO A 93 -4.352 0.164 5.590 1.00 0.00 C ATOM 1272 O PRO A 93 -5.583 0.147 5.575 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.137 0.214 7.786 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.202 0.409 8.809 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.717 1.808 8.609 1.00 0.00 C ATOM 0 HA PRO A 93 -2.777 1.477 6.009 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.027 -0.838 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.169 0.554 8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.001 -0.322 8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.805 0.280 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.779 1.882 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.200 2.522 9.250 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.608 -0.561 4.763 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.209 -1.440 3.766 1.00 0.00 C ATOM 1285 C TYR A 94 -4.185 -2.892 4.234 1.00 0.00 C ATOM 1286 O TYR A 94 -3.298 -3.301 4.984 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.470 -1.311 2.432 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.610 0.053 1.794 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -2.947 1.157 2.316 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.401 0.237 0.667 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.071 2.405 1.736 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.530 1.480 0.079 1.00 0.00 C ATOM 1293 CZ TYR A 94 -3.864 2.561 0.618 1.00 0.00 C ATOM 1294 OH TYR A 94 -3.989 3.802 0.037 1.00 0.00 O ATOM 0 H TYR A 94 -2.588 -0.558 4.763 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.248 -1.138 3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.412 -1.523 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.847 -2.066 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.324 1.038 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.925 -0.607 0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.550 3.253 2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.149 1.605 -0.797 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.150 4.298 0.141 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.167 -3.667 3.786 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.261 -5.074 4.157 1.00 0.00 C ATOM 1306 C LEU A 95 -5.129 -5.971 2.931 1.00 0.00 C ATOM 1307 O LEU A 95 -6.074 -6.128 2.158 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.590 -5.349 4.863 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.689 -6.675 5.616 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.533 -6.823 6.593 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -8.021 -6.777 6.344 1.00 0.00 C ATOM 0 H LEU A 95 -5.909 -3.344 3.165 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.441 -5.299 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.778 -4.539 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.387 -5.316 4.120 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.631 -7.487 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.621 -7.773 7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.590 -6.797 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.558 -6.005 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.074 -7.728 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.109 -5.958 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.836 -6.719 5.622 1.00 0.00 H new ATOM 1323 N VAL A 96 -3.948 -6.558 2.757 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.693 -7.442 1.626 1.00 0.00 C ATOM 1325 C VAL A 96 -3.675 -8.902 2.062 1.00 0.00 C ATOM 1326 O VAL A 96 -2.703 -9.392 2.638 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.355 -7.106 0.942 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.302 -7.708 -0.454 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.147 -5.599 0.890 1.00 0.00 C ATOM 0 H VAL A 96 -3.153 -6.437 3.385 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.505 -7.288 0.915 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.547 -7.542 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.349 -7.460 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.402 -8.791 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.117 -7.305 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.197 -5.379 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.958 -5.139 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.137 -5.198 1.903 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.776 -9.617 1.785 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.910 -11.033 2.139 1.00 0.00 C ATOM 1341 C PRO A 97 -4.000 -11.929 1.306 1.00 0.00 C ATOM 1342 O PRO A 97 -4.378 -12.384 0.228 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.380 -11.336 1.836 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.766 -10.338 0.799 1.00 0.00 C ATOM 1345 CD PRO A 97 -5.972 -9.098 1.102 1.00 0.00 C ATOM 0 HA PRO A 97 -4.625 -11.223 3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.507 -12.355 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.997 -11.238 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.544 -10.709 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.836 -10.134 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.712 -8.555 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.530 -8.409 1.736 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.797 -12.178 1.815 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.832 -13.021 1.119 1.00 0.00 C ATOM 1355 C VAL A 98 -2.119 -14.498 1.361 1.00 0.00 C ATOM 1356 O VAL A 98 -2.574 -14.885 2.438 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.391 -12.709 1.564 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.594 -13.640 0.873 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.050 -11.254 1.282 1.00 0.00 C ATOM 0 H VAL A 98 -2.468 -11.808 2.707 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.930 -12.804 0.055 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.317 -12.874 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.607 -13.405 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.360 -14.673 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.521 -13.510 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.972 -11.051 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.140 -11.060 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.737 -10.607 1.828 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.848 -15.320 0.353 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.075 -16.756 0.456 1.00 0.00 C ATOM 1371 C ILE A 99 -0.959 -17.540 -0.225 1.00 0.00 C ATOM 1372 O ILE A 99 -0.303 -17.039 -1.139 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.424 -17.159 -0.166 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.475 -16.745 -1.639 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.573 -16.530 0.606 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.365 -17.628 -2.485 1.00 0.00 C ATOM 0 H ILE A 99 -1.471 -15.016 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.088 -16.997 1.519 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.524 -18.243 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.828 -15.716 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.465 -16.763 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.520 -16.825 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.544 -16.869 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.480 -15.444 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.353 -17.276 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.000 -18.654 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.385 -17.591 -2.101 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.748 -18.773 0.224 1.00 0.00 N ATOM 1389 CA ALA A 100 0.285 -19.627 -0.346 1.00 0.00 C ATOM 1390 C ALA A 100 -0.195 -20.287 -1.634 1.00 0.00 C ATOM 1391 O ALA A 100 -1.137 -21.079 -1.640 1.00 0.00 O ATOM 1392 CB ALA A 100 0.711 -20.684 0.663 1.00 0.00 C ATOM 0 H ALA A 100 -1.280 -19.202 0.981 1.00 0.00 H new ATOM 0 HA ALA A 100 1.145 -19.002 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.483 -21.316 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.104 -20.197 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.149 -21.297 0.933 1.00 0.00 H new ATOM 1398 N PRO A 101 0.466 -19.954 -2.752 1.00 0.00 N ATOM 1399 CA PRO A 101 0.124 -20.503 -4.067 1.00 0.00 C ATOM 1400 C PRO A 101 0.471 -21.984 -4.187 1.00 0.00 C ATOM 1401 O PRO A 101 1.605 -22.387 -3.932 1.00 0.00 O ATOM 1402 CB PRO A 101 0.978 -19.675 -5.031 1.00 0.00 C ATOM 1403 CG PRO A 101 2.132 -19.212 -4.211 1.00 0.00 C ATOM 1404 CD PRO A 101 1.600 -19.017 -2.819 1.00 0.00 C ATOM 0 HA PRO A 101 -0.946 -20.445 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.310 -20.273 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.416 -18.833 -5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.937 -19.946 -4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.543 -18.283 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.354 -19.244 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.281 -17.988 -2.651 1.00 0.00 H new ATOM 1412 N SER A 102 -0.514 -22.787 -4.574 1.00 0.00 N ATOM 1413 CA SER A 102 -0.313 -24.224 -4.724 1.00 0.00 C ATOM 1414 C SER A 102 -0.301 -24.621 -6.197 1.00 0.00 C ATOM 1415 O SER A 102 -1.344 -24.661 -6.849 1.00 0.00 O ATOM 1416 CB SER A 102 -1.410 -24.993 -3.986 1.00 0.00 C ATOM 1417 OG SER A 102 -1.013 -26.329 -3.730 1.00 0.00 O ATOM 0 H SER A 102 -1.459 -22.468 -4.789 1.00 0.00 H new ATOM 0 HA SER A 102 0.654 -24.478 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.640 -24.492 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.324 -24.989 -4.580 1.00 0.00 H new ATOM 0 HG SER A 102 -1.731 -26.798 -3.256 1.00 0.00 H new ATOM 1423 N ASP A 103 0.888 -24.913 -6.715 1.00 0.00 N ATOM 1424 CA ASP A 103 1.037 -25.308 -8.111 1.00 0.00 C ATOM 1425 C ASP A 103 1.182 -26.821 -8.235 1.00 0.00 C ATOM 1426 O ASP A 103 1.828 -27.463 -7.407 1.00 0.00 O ATOM 1427 CB ASP A 103 2.250 -24.614 -8.732 1.00 0.00 C ATOM 1428 CG ASP A 103 2.109 -24.433 -10.230 1.00 0.00 C ATOM 1429 OD1 ASP A 103 2.359 -25.408 -10.972 1.00 0.00 O ATOM 1430 OD2 ASP A 103 1.750 -23.318 -10.662 1.00 0.00 O ATOM 0 H ASP A 103 1.762 -24.884 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 103 0.139 -25.002 -8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.387 -23.640 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.146 -25.198 -8.522 1.00 0.00 H new ATOM 1435 N ASP A 104 0.575 -27.386 -9.274 1.00 0.00 N ATOM 1436 CA ASP A 104 0.637 -28.824 -9.506 1.00 0.00 C ATOM 1437 C ASP A 104 1.658 -29.156 -10.590 1.00 0.00 C ATOM 1438 O ASP A 104 1.562 -28.671 -11.717 1.00 0.00 O ATOM 1439 CB ASP A 104 -0.740 -29.356 -9.906 1.00 0.00 C ATOM 1440 CG ASP A 104 -0.835 -30.865 -9.783 1.00 0.00 C ATOM 1441 OD1 ASP A 104 -0.098 -31.441 -8.957 1.00 0.00 O ATOM 1442 OD2 ASP A 104 -1.646 -31.469 -10.516 1.00 0.00 O ATOM 0 H ASP A 104 0.035 -26.870 -9.968 1.00 0.00 H new ATOM 0 HA ASP A 104 0.949 -29.304 -8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.501 -28.894 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.955 -29.064 -10.934 1.00 0.00 H new ATOM 1447 N ALA A 105 2.637 -29.984 -10.238 1.00 0.00 N ATOM 1448 CA ALA A 105 3.675 -30.382 -11.181 1.00 0.00 C ATOM 1449 C ALA A 105 3.612 -31.878 -11.469 1.00 0.00 C ATOM 1450 O ALA A 105 4.278 -32.373 -12.379 1.00 0.00 O ATOM 1451 CB ALA A 105 5.048 -30.003 -10.644 1.00 0.00 C ATOM 0 H ALA A 105 2.733 -30.391 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 105 3.503 -29.852 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.814 -30.306 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.096 -28.924 -10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.219 -30.507 -9.693 1.00 0.00 H new TER 1457 ALA A 105