USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 599 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 18 HIS : no HD1:sc= 0.128 X(o=1.4,f=1.1) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-0.18) USER MOD Set 1.3: A 33 TYR OH : rot -12:sc= 0.138 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.998 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -4.72! C(o=-4.7!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.163) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.38!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -120:sc= -0.282 (180deg=-1.77!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 72 SER OG : rot 180:sc= -0.204 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00131 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.839 45.046 -2.295 1.00 0.00 N ATOM 2 CA GLY A 1 0.565 43.848 -3.067 1.00 0.00 C ATOM 3 C GLY A 1 1.692 42.838 -2.990 1.00 0.00 C ATOM 4 O GLY A 1 2.473 42.696 -3.931 1.00 0.00 O ATOM 0 H1 GLY A 1 0.039 45.705 -2.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.973 44.792 -1.296 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.702 45.501 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.355 43.389 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.397 44.121 -4.109 1.00 0.00 H new ATOM 8 N SER A 2 1.779 42.136 -1.865 1.00 0.00 N ATOM 9 CA SER A 2 2.823 41.138 -1.666 1.00 0.00 C ATOM 10 C SER A 2 2.350 39.759 -2.118 1.00 0.00 C ATOM 11 O SER A 2 1.367 39.228 -1.602 1.00 0.00 O ATOM 12 CB SER A 2 3.238 41.089 -0.194 1.00 0.00 C ATOM 13 OG SER A 2 4.031 42.212 0.150 1.00 0.00 O ATOM 0 H SER A 2 1.139 42.240 -1.077 1.00 0.00 H new ATOM 0 HA SER A 2 3.684 41.424 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.350 41.060 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.796 40.173 -0.001 1.00 0.00 H new ATOM 0 HG SER A 2 4.282 42.158 1.096 1.00 0.00 H new ATOM 19 N SER A 3 3.058 39.186 -3.086 1.00 0.00 N ATOM 20 CA SER A 3 2.709 37.872 -3.612 1.00 0.00 C ATOM 21 C SER A 3 3.868 36.893 -3.440 1.00 0.00 C ATOM 22 O SER A 3 4.987 37.156 -3.877 1.00 0.00 O ATOM 23 CB SER A 3 2.329 37.975 -5.090 1.00 0.00 C ATOM 24 OG SER A 3 1.685 36.793 -5.535 1.00 0.00 O ATOM 0 H SER A 3 3.876 39.611 -3.522 1.00 0.00 H new ATOM 0 HA SER A 3 1.853 37.498 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.670 38.830 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.223 38.152 -5.687 1.00 0.00 H new ATOM 0 HG SER A 3 1.451 36.885 -6.482 1.00 0.00 H new ATOM 30 N GLY A 4 3.589 35.762 -2.799 1.00 0.00 N ATOM 31 CA GLY A 4 4.616 34.761 -2.580 1.00 0.00 C ATOM 32 C GLY A 4 4.234 33.406 -3.142 1.00 0.00 C ATOM 33 O GLY A 4 3.110 33.212 -3.603 1.00 0.00 O ATOM 0 H GLY A 4 2.670 35.521 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.546 35.093 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.805 34.667 -1.511 1.00 0.00 H new ATOM 37 N SER A 5 5.173 32.466 -3.104 1.00 0.00 N ATOM 38 CA SER A 5 4.931 31.123 -3.619 1.00 0.00 C ATOM 39 C SER A 5 4.273 30.245 -2.558 1.00 0.00 C ATOM 40 O SER A 5 4.949 29.670 -1.706 1.00 0.00 O ATOM 41 CB SER A 5 6.243 30.486 -4.081 1.00 0.00 C ATOM 42 OG SER A 5 7.156 30.361 -3.004 1.00 0.00 O ATOM 0 H SER A 5 6.108 32.609 -2.722 1.00 0.00 H new ATOM 0 HA SER A 5 4.255 31.204 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.043 29.503 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.687 31.093 -4.870 1.00 0.00 H new ATOM 0 HG SER A 5 6.677 30.064 -2.202 1.00 0.00 H new ATOM 48 N SER A 6 2.949 30.148 -2.618 1.00 0.00 N ATOM 49 CA SER A 6 2.197 29.344 -1.661 1.00 0.00 C ATOM 50 C SER A 6 1.391 28.263 -2.374 1.00 0.00 C ATOM 51 O SER A 6 0.705 28.532 -3.359 1.00 0.00 O ATOM 52 CB SER A 6 1.263 30.233 -0.839 1.00 0.00 C ATOM 53 OG SER A 6 0.218 30.755 -1.641 1.00 0.00 O ATOM 0 H SER A 6 2.375 30.616 -3.319 1.00 0.00 H new ATOM 0 HA SER A 6 2.909 28.860 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.841 29.658 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.831 31.052 -0.398 1.00 0.00 H new ATOM 0 HG SER A 6 -0.366 31.318 -1.091 1.00 0.00 H new ATOM 59 N GLY A 7 1.481 27.036 -1.869 1.00 0.00 N ATOM 60 CA GLY A 7 0.756 25.931 -2.469 1.00 0.00 C ATOM 61 C GLY A 7 1.591 24.669 -2.556 1.00 0.00 C ATOM 62 O GLY A 7 2.362 24.490 -3.500 1.00 0.00 O ATOM 0 H GLY A 7 2.043 26.788 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.142 25.729 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.428 26.216 -3.469 1.00 0.00 H new ATOM 66 N CYS A 8 1.439 23.793 -1.569 1.00 0.00 N ATOM 67 CA CYS A 8 2.188 22.541 -1.537 1.00 0.00 C ATOM 68 C CYS A 8 1.425 21.433 -2.256 1.00 0.00 C ATOM 69 O CYS A 8 0.231 21.561 -2.524 1.00 0.00 O ATOM 70 CB CYS A 8 2.469 22.128 -0.091 1.00 0.00 C ATOM 71 SG CYS A 8 3.969 22.858 0.606 1.00 0.00 S ATOM 0 H CYS A 8 0.805 23.926 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 8 3.135 22.699 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.618 22.411 0.529 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.550 21.042 -0.044 1.00 0.00 H new ATOM 0 HG CYS A 8 4.120 22.452 1.832 1.00 0.00 H new ATOM 77 N SER A 9 2.124 20.346 -2.566 1.00 0.00 N ATOM 78 CA SER A 9 1.514 19.217 -3.259 1.00 0.00 C ATOM 79 C SER A 9 1.605 17.948 -2.415 1.00 0.00 C ATOM 80 O SER A 9 2.563 17.180 -2.505 1.00 0.00 O ATOM 81 CB SER A 9 2.194 18.994 -4.611 1.00 0.00 C ATOM 82 OG SER A 9 1.898 20.047 -5.511 1.00 0.00 O ATOM 0 H SER A 9 3.113 20.223 -2.348 1.00 0.00 H new ATOM 0 HA SER A 9 0.462 19.448 -3.423 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.273 18.923 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.864 18.046 -5.035 1.00 0.00 H new ATOM 0 HG SER A 9 2.346 19.881 -6.367 1.00 0.00 H new ATOM 88 N PRO A 10 0.584 17.723 -1.575 1.00 0.00 N ATOM 89 CA PRO A 10 0.524 16.549 -0.700 1.00 0.00 C ATOM 90 C PRO A 10 0.298 15.257 -1.477 1.00 0.00 C ATOM 91 O PRO A 10 -0.353 15.255 -2.522 1.00 0.00 O ATOM 92 CB PRO A 10 -0.674 16.844 0.207 1.00 0.00 C ATOM 93 CG PRO A 10 -1.532 17.767 -0.587 1.00 0.00 C ATOM 94 CD PRO A 10 -0.591 18.596 -1.416 1.00 0.00 C ATOM 0 HA PRO A 10 1.458 16.395 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.209 15.930 0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.358 17.304 1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.223 17.210 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.136 18.397 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.029 18.859 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.333 19.530 -0.917 1.00 0.00 H new ATOM 102 N VAL A 11 0.839 14.158 -0.960 1.00 0.00 N ATOM 103 CA VAL A 11 0.695 12.858 -1.605 1.00 0.00 C ATOM 104 C VAL A 11 -0.684 12.265 -1.344 1.00 0.00 C ATOM 105 O VAL A 11 -1.347 12.616 -0.367 1.00 0.00 O ATOM 106 CB VAL A 11 1.769 11.868 -1.118 1.00 0.00 C ATOM 107 CG1 VAL A 11 3.140 12.265 -1.643 1.00 0.00 C ATOM 108 CG2 VAL A 11 1.773 11.791 0.401 1.00 0.00 C ATOM 0 H VAL A 11 1.381 14.142 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 11 0.820 13.020 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 11 1.530 10.879 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.886 11.553 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.127 12.263 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.392 13.263 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.538 11.087 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.987 12.777 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.797 11.454 0.751 1.00 0.00 H new ATOM 118 N ARG A 12 -1.111 11.363 -2.222 1.00 0.00 N ATOM 119 CA ARG A 12 -2.413 10.721 -2.086 1.00 0.00 C ATOM 120 C ARG A 12 -2.256 9.229 -1.808 1.00 0.00 C ATOM 121 O ARG A 12 -2.840 8.700 -0.863 1.00 0.00 O ATOM 122 CB ARG A 12 -3.243 10.930 -3.354 1.00 0.00 C ATOM 123 CG ARG A 12 -3.444 12.392 -3.716 1.00 0.00 C ATOM 124 CD ARG A 12 -3.853 12.554 -5.172 1.00 0.00 C ATOM 125 NE ARG A 12 -4.552 13.815 -5.407 1.00 0.00 N ATOM 126 CZ ARG A 12 -5.743 14.101 -4.894 1.00 0.00 C ATOM 127 NH1 ARG A 12 -6.364 13.222 -4.120 1.00 0.00 N ATOM 128 NH2 ARG A 12 -6.315 15.270 -5.153 1.00 0.00 N ATOM 0 H ARG A 12 -0.574 11.060 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.930 11.178 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.754 10.422 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.217 10.460 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.209 12.826 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.522 12.944 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.967 12.507 -5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.496 11.723 -5.462 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.101 14.514 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.927 12.323 -3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.279 13.445 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.840 15.950 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.230 15.489 -4.758 1.00 0.00 H new ATOM 142 N GLU A 13 -1.464 8.557 -2.638 1.00 0.00 N ATOM 143 CA GLU A 13 -1.233 7.126 -2.482 1.00 0.00 C ATOM 144 C GLU A 13 0.192 6.854 -2.008 1.00 0.00 C ATOM 145 O GLU A 13 1.154 7.388 -2.560 1.00 0.00 O ATOM 146 CB GLU A 13 -1.490 6.397 -3.803 1.00 0.00 C ATOM 147 CG GLU A 13 -0.292 6.389 -4.737 1.00 0.00 C ATOM 148 CD GLU A 13 0.130 7.784 -5.156 1.00 0.00 C ATOM 149 OE1 GLU A 13 -0.758 8.635 -5.367 1.00 0.00 O ATOM 150 OE2 GLU A 13 1.350 8.024 -5.272 1.00 0.00 O ATOM 0 H GLU A 13 -0.972 8.981 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.927 6.752 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.781 5.368 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.332 6.868 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.544 5.893 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.532 5.804 -5.625 1.00 0.00 H new ATOM 157 N ARG A 14 0.319 6.020 -0.981 1.00 0.00 N ATOM 158 CA ARG A 14 1.625 5.678 -0.431 1.00 0.00 C ATOM 159 C ARG A 14 1.772 4.167 -0.279 1.00 0.00 C ATOM 160 O ARG A 14 0.813 3.418 -0.464 1.00 0.00 O ATOM 161 CB ARG A 14 1.826 6.359 0.924 1.00 0.00 C ATOM 162 CG ARG A 14 0.650 6.188 1.872 1.00 0.00 C ATOM 163 CD ARG A 14 0.590 7.313 2.893 1.00 0.00 C ATOM 164 NE ARG A 14 -0.448 7.087 3.896 1.00 0.00 N ATOM 165 CZ ARG A 14 -0.594 7.836 4.984 1.00 0.00 C ATOM 166 NH1 ARG A 14 0.225 8.854 5.207 1.00 0.00 N ATOM 167 NH2 ARG A 14 -1.563 7.567 5.850 1.00 0.00 N ATOM 0 H ARG A 14 -0.467 5.569 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 14 2.387 6.032 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.723 5.956 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.001 7.423 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.278 6.163 1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.733 5.231 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.557 7.406 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.401 8.257 2.382 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.096 6.312 3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.970 9.064 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.110 9.427 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.196 6.785 5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.675 8.142 6.685 1.00 0.00 H new ATOM 181 N ARG A 15 2.979 3.726 0.060 1.00 0.00 N ATOM 182 CA ARG A 15 3.252 2.305 0.235 1.00 0.00 C ATOM 183 C ARG A 15 3.807 2.025 1.629 1.00 0.00 C ATOM 184 O ARG A 15 4.664 2.757 2.126 1.00 0.00 O ATOM 185 CB ARG A 15 4.242 1.819 -0.826 1.00 0.00 C ATOM 186 CG ARG A 15 3.574 1.292 -2.085 1.00 0.00 C ATOM 187 CD ARG A 15 4.442 1.519 -3.313 1.00 0.00 C ATOM 188 NE ARG A 15 4.728 2.935 -3.527 1.00 0.00 N ATOM 189 CZ ARG A 15 3.840 3.800 -4.005 1.00 0.00 C ATOM 190 NH1 ARG A 15 2.616 3.395 -4.315 1.00 0.00 N ATOM 191 NH2 ARG A 15 4.175 5.073 -4.172 1.00 0.00 N ATOM 0 H ARG A 15 3.783 4.333 0.219 1.00 0.00 H new ATOM 0 HA ARG A 15 2.313 1.764 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.907 2.640 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.863 1.032 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.372 0.227 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.612 1.786 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.379 0.973 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.940 1.114 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 15 5.660 3.279 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.354 2.418 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.936 4.061 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.115 5.388 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.492 5.736 -4.539 1.00 0.00 H new ATOM 205 N LEU A 16 3.312 0.963 2.255 1.00 0.00 N ATOM 206 CA LEU A 16 3.758 0.587 3.592 1.00 0.00 C ATOM 207 C LEU A 16 4.555 -0.713 3.555 1.00 0.00 C ATOM 208 O LEU A 16 4.099 -1.716 3.006 1.00 0.00 O ATOM 209 CB LEU A 16 2.557 0.436 4.527 1.00 0.00 C ATOM 210 CG LEU A 16 2.807 -0.340 5.821 1.00 0.00 C ATOM 211 CD1 LEU A 16 4.021 0.216 6.550 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.578 -0.294 6.717 1.00 0.00 C ATOM 0 H LEU A 16 2.602 0.347 1.858 1.00 0.00 H new ATOM 0 HA LEU A 16 4.407 1.378 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.197 1.431 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.755 -0.059 3.979 1.00 0.00 H new ATOM 0 HG LEU A 16 3.007 -1.381 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.184 -0.348 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.900 0.131 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.850 1.265 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.774 -0.851 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.347 0.742 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.731 -0.740 6.196 1.00 0.00 H new ATOM 224 N GLU A 17 5.746 -0.688 4.144 1.00 0.00 N ATOM 225 CA GLU A 17 6.605 -1.866 4.179 1.00 0.00 C ATOM 226 C GLU A 17 6.077 -2.896 5.173 1.00 0.00 C ATOM 227 O GLU A 17 6.100 -2.675 6.385 1.00 0.00 O ATOM 228 CB GLU A 17 8.036 -1.470 4.550 1.00 0.00 C ATOM 229 CG GLU A 17 9.087 -2.447 4.050 1.00 0.00 C ATOM 230 CD GLU A 17 10.500 -1.986 4.347 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.726 -0.758 4.395 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.381 -2.852 4.532 1.00 0.00 O ATOM 0 H GLU A 17 6.138 0.134 4.603 1.00 0.00 H new ATOM 0 HA GLU A 17 6.605 -2.313 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.248 -0.482 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.112 -1.391 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.922 -3.420 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.971 -2.581 2.974 1.00 0.00 H new ATOM 239 N HIS A 18 5.599 -4.022 4.653 1.00 0.00 N ATOM 240 CA HIS A 18 5.065 -5.087 5.494 1.00 0.00 C ATOM 241 C HIS A 18 5.998 -6.293 5.502 1.00 0.00 C ATOM 242 O HIS A 18 6.318 -6.849 4.451 1.00 0.00 O ATOM 243 CB HIS A 18 3.677 -5.504 5.005 1.00 0.00 C ATOM 244 CG HIS A 18 3.003 -6.502 5.895 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.248 -6.143 6.992 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.973 -7.854 5.846 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.783 -7.231 7.579 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.208 -8.283 6.903 1.00 0.00 N ATOM 0 H HIS A 18 5.571 -4.220 3.653 1.00 0.00 H new ATOM 0 HA HIS A 18 4.984 -4.706 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.048 -4.618 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.765 -5.924 4.003 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.460 -8.479 5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.161 -7.256 8.462 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.002 -9.256 7.129 1.00 0.00 H new ATOM 257 N GLN A 19 6.431 -6.692 6.693 1.00 0.00 N ATOM 258 CA GLN A 19 7.329 -7.832 6.837 1.00 0.00 C ATOM 259 C GLN A 19 6.624 -9.131 6.462 1.00 0.00 C ATOM 260 O GLN A 19 6.254 -9.922 7.330 1.00 0.00 O ATOM 261 CB GLN A 19 7.853 -7.918 8.271 1.00 0.00 C ATOM 262 CG GLN A 19 9.189 -8.634 8.389 1.00 0.00 C ATOM 263 CD GLN A 19 9.907 -8.321 9.687 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.286 -7.916 10.671 1.00 0.00 O ATOM 265 NE2 GLN A 19 11.221 -8.506 9.697 1.00 0.00 N ATOM 0 H GLN A 19 6.175 -6.243 7.572 1.00 0.00 H new ATOM 0 HA GLN A 19 8.170 -7.687 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.954 -6.910 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.117 -8.435 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.028 -9.710 8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.824 -8.351 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.695 -8.843 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.757 -8.311 10.543 1.00 0.00 H new ATOM 274 N LEU A 20 6.441 -9.345 5.163 1.00 0.00 N ATOM 275 CA LEU A 20 5.779 -10.549 4.672 1.00 0.00 C ATOM 276 C LEU A 20 6.201 -11.771 5.482 1.00 0.00 C ATOM 277 O LEU A 20 7.390 -12.009 5.689 1.00 0.00 O ATOM 278 CB LEU A 20 6.104 -10.766 3.193 1.00 0.00 C ATOM 279 CG LEU A 20 5.085 -11.580 2.395 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.886 -10.721 2.026 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.730 -12.164 1.146 1.00 0.00 C ATOM 0 H LEU A 20 6.742 -8.701 4.431 1.00 0.00 H new ATOM 0 HA LEU A 20 4.703 -10.415 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.212 -9.791 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.071 -11.263 3.123 1.00 0.00 H new ATOM 0 HG LEU A 20 4.737 -12.403 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.172 -11.318 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.410 -10.352 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.216 -9.877 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.990 -12.740 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.106 -11.356 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.556 -12.815 1.433 1.00 0.00 H new ATOM 293 N GLU A 21 5.218 -12.543 5.935 1.00 0.00 N ATOM 294 CA GLU A 21 5.489 -13.741 6.721 1.00 0.00 C ATOM 295 C GLU A 21 5.165 -15.000 5.922 1.00 0.00 C ATOM 296 O GLU A 21 4.422 -14.969 4.940 1.00 0.00 O ATOM 297 CB GLU A 21 4.675 -13.723 8.016 1.00 0.00 C ATOM 298 CG GLU A 21 5.383 -13.030 9.169 1.00 0.00 C ATOM 299 CD GLU A 21 4.434 -12.640 10.286 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.640 -11.697 10.086 1.00 0.00 O ATOM 301 OE2 GLU A 21 4.485 -13.277 11.359 1.00 0.00 O ATOM 0 H GLU A 21 4.228 -12.360 5.771 1.00 0.00 H new ATOM 0 HA GLU A 21 6.551 -13.750 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.724 -13.223 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.445 -14.748 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.154 -13.690 9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.887 -12.138 8.797 1.00 0.00 H new ATOM 308 N PRO A 22 5.735 -16.136 6.351 1.00 0.00 N ATOM 309 CA PRO A 22 5.522 -17.427 5.690 1.00 0.00 C ATOM 310 C PRO A 22 4.104 -17.951 5.885 1.00 0.00 C ATOM 311 O PRO A 22 3.678 -18.886 5.208 1.00 0.00 O ATOM 312 CB PRO A 22 6.532 -18.349 6.380 1.00 0.00 C ATOM 313 CG PRO A 22 6.756 -17.731 7.717 1.00 0.00 C ATOM 314 CD PRO A 22 6.631 -16.247 7.514 1.00 0.00 C ATOM 0 HA PRO A 22 5.654 -17.359 4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.144 -19.363 6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.461 -18.414 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.023 -18.089 8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.741 -17.990 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.212 -15.755 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.599 -15.785 7.321 1.00 0.00 H new ATOM 322 N GLY A 23 3.374 -17.341 6.814 1.00 0.00 N ATOM 323 CA GLY A 23 2.011 -17.759 7.081 1.00 0.00 C ATOM 324 C GLY A 23 0.992 -16.719 6.659 1.00 0.00 C ATOM 325 O GLY A 23 -0.106 -16.656 7.212 1.00 0.00 O ATOM 0 H GLY A 23 3.703 -16.564 7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.811 -18.693 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.899 -17.962 8.146 1.00 0.00 H new ATOM 329 N ASP A 24 1.356 -15.900 5.679 1.00 0.00 N ATOM 330 CA ASP A 24 0.466 -14.857 5.183 1.00 0.00 C ATOM 331 C ASP A 24 -0.062 -15.206 3.796 1.00 0.00 C ATOM 332 O ASP A 24 0.613 -15.875 3.012 1.00 0.00 O ATOM 333 CB ASP A 24 1.194 -13.512 5.142 1.00 0.00 C ATOM 334 CG ASP A 24 1.118 -12.772 6.462 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.116 -12.950 7.186 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.061 -12.014 6.772 1.00 0.00 O ATOM 0 H ASP A 24 2.262 -15.938 5.212 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.381 -14.782 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.239 -13.676 4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.762 -12.892 4.356 1.00 0.00 H new ATOM 341 N THR A 25 -1.275 -14.750 3.497 1.00 0.00 N ATOM 342 CA THR A 25 -1.895 -15.017 2.205 1.00 0.00 C ATOM 343 C THR A 25 -2.282 -13.720 1.504 1.00 0.00 C ATOM 344 O THR A 25 -2.729 -12.766 2.142 1.00 0.00 O ATOM 345 CB THR A 25 -3.147 -15.900 2.354 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.992 -15.382 3.388 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.761 -17.335 2.679 1.00 0.00 C ATOM 0 H THR A 25 -1.847 -14.194 4.132 1.00 0.00 H new ATOM 0 HA THR A 25 -1.157 -15.547 1.603 1.00 0.00 H new ATOM 0 HB THR A 25 -3.686 -15.891 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.787 -15.948 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.662 -17.940 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.142 -17.736 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.202 -17.358 3.614 1.00 0.00 H new ATOM 355 N LEU A 26 -2.109 -13.690 0.187 1.00 0.00 N ATOM 356 CA LEU A 26 -2.442 -12.510 -0.603 1.00 0.00 C ATOM 357 C LEU A 26 -3.829 -11.988 -0.243 1.00 0.00 C ATOM 358 O LEU A 26 -3.996 -10.813 0.084 1.00 0.00 O ATOM 359 CB LEU A 26 -2.379 -12.836 -2.096 1.00 0.00 C ATOM 360 CG LEU A 26 -1.006 -12.701 -2.755 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.869 -13.680 -3.910 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.782 -11.273 -3.233 1.00 0.00 C ATOM 0 H LEU A 26 -1.740 -14.470 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.711 -11.734 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.730 -13.858 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.077 -12.183 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.243 -12.938 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.115 -13.569 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.984 -14.699 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.639 -13.475 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.200 -11.195 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.551 -11.008 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.835 -10.592 -2.383 1.00 0.00 H new ATOM 374 N ALA A 27 -4.822 -12.869 -0.303 1.00 0.00 N ATOM 375 CA ALA A 27 -6.194 -12.498 0.020 1.00 0.00 C ATOM 376 C ALA A 27 -6.282 -11.880 1.411 1.00 0.00 C ATOM 377 O ALA A 27 -7.109 -11.004 1.661 1.00 0.00 O ATOM 378 CB ALA A 27 -7.106 -13.712 -0.079 1.00 0.00 C ATOM 0 H ALA A 27 -4.702 -13.845 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.522 -11.751 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.128 -13.420 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.074 -14.109 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.770 -14.477 0.621 1.00 0.00 H new ATOM 384 N GLY A 28 -5.424 -12.343 2.315 1.00 0.00 N ATOM 385 CA GLY A 28 -5.422 -11.824 3.670 1.00 0.00 C ATOM 386 C GLY A 28 -4.998 -10.370 3.734 1.00 0.00 C ATOM 387 O GLY A 28 -5.723 -9.527 4.263 1.00 0.00 O ATOM 0 H GLY A 28 -4.730 -13.068 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.420 -11.927 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.749 -12.423 4.284 1.00 0.00 H new ATOM 391 N LEU A 29 -3.820 -10.075 3.196 1.00 0.00 N ATOM 392 CA LEU A 29 -3.298 -8.713 3.196 1.00 0.00 C ATOM 393 C LEU A 29 -4.284 -7.753 2.538 1.00 0.00 C ATOM 394 O LEU A 29 -4.592 -6.693 3.084 1.00 0.00 O ATOM 395 CB LEU A 29 -1.955 -8.660 2.467 1.00 0.00 C ATOM 396 CG LEU A 29 -0.870 -9.604 2.989 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.370 -9.529 2.112 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.525 -9.272 4.433 1.00 0.00 C ATOM 0 H LEU A 29 -3.208 -10.761 2.754 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.154 -8.405 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.127 -8.883 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.576 -7.639 2.519 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.254 -10.624 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.131 -10.207 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.112 -9.816 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.757 -8.510 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.248 -9.953 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.161 -8.246 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.415 -9.378 5.053 1.00 0.00 H new ATOM 410 N ALA A 30 -4.779 -8.132 1.364 1.00 0.00 N ATOM 411 CA ALA A 30 -5.733 -7.307 0.635 1.00 0.00 C ATOM 412 C ALA A 30 -6.767 -6.700 1.577 1.00 0.00 C ATOM 413 O ALA A 30 -6.869 -5.478 1.699 1.00 0.00 O ATOM 414 CB ALA A 30 -6.421 -8.127 -0.447 1.00 0.00 C ATOM 0 H ALA A 30 -4.534 -9.006 0.898 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.184 -6.491 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.131 -7.498 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.675 -8.508 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.950 -8.963 0.011 1.00 0.00 H new ATOM 420 N LEU A 31 -7.532 -7.558 2.242 1.00 0.00 N ATOM 421 CA LEU A 31 -8.558 -7.106 3.174 1.00 0.00 C ATOM 422 C LEU A 31 -7.930 -6.478 4.414 1.00 0.00 C ATOM 423 O LEU A 31 -8.341 -5.405 4.856 1.00 0.00 O ATOM 424 CB LEU A 31 -9.457 -8.275 3.580 1.00 0.00 C ATOM 425 CG LEU A 31 -10.038 -9.105 2.435 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.376 -10.509 2.911 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.270 -8.425 1.855 1.00 0.00 C ATOM 0 H LEU A 31 -7.461 -8.572 2.153 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.161 -6.349 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.885 -8.938 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.283 -7.883 4.173 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.286 -9.181 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.788 -11.085 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.472 -10.996 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.110 -10.454 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.670 -9.030 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.026 -8.317 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.997 -7.440 1.475 1.00 0.00 H new ATOM 439 N LYS A 32 -6.929 -7.152 4.969 1.00 0.00 N ATOM 440 CA LYS A 32 -6.240 -6.660 6.156 1.00 0.00 C ATOM 441 C LYS A 32 -6.147 -5.137 6.139 1.00 0.00 C ATOM 442 O LYS A 32 -6.226 -4.489 7.183 1.00 0.00 O ATOM 443 CB LYS A 32 -4.838 -7.266 6.245 1.00 0.00 C ATOM 444 CG LYS A 32 -4.072 -6.848 7.489 1.00 0.00 C ATOM 445 CD LYS A 32 -2.613 -7.266 7.412 1.00 0.00 C ATOM 446 CE LYS A 32 -1.803 -6.672 8.554 1.00 0.00 C ATOM 447 NZ LYS A 32 -1.231 -5.344 8.197 1.00 0.00 N ATOM 0 H LYS A 32 -6.576 -8.041 4.615 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.816 -6.962 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.919 -8.353 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.268 -6.974 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.136 -5.767 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.534 -7.295 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.543 -8.353 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.191 -6.945 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.438 -6.569 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.996 -7.355 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.209 -5.343 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.393 -5.156 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.691 -4.604 8.765 1.00 0.00 H new ATOM 461 N TYR A 33 -5.979 -4.573 4.948 1.00 0.00 N ATOM 462 CA TYR A 33 -5.875 -3.127 4.796 1.00 0.00 C ATOM 463 C TYR A 33 -7.165 -2.544 4.226 1.00 0.00 C ATOM 464 O TYR A 33 -7.869 -1.791 4.896 1.00 0.00 O ATOM 465 CB TYR A 33 -4.697 -2.772 3.887 1.00 0.00 C ATOM 466 CG TYR A 33 -3.347 -3.026 4.519 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.738 -4.272 4.427 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.680 -2.020 5.208 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.505 -4.508 5.004 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.446 -2.248 5.786 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.863 -3.493 5.682 1.00 0.00 C ATOM 472 OH TYR A 33 0.366 -3.725 6.256 1.00 0.00 O ATOM 0 H TYR A 33 -5.912 -5.095 4.074 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.708 -2.695 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.772 -3.350 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.767 -1.720 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.237 -5.069 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.134 -1.044 5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.046 -5.482 4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.941 -1.455 6.317 1.00 0.00 H new ATOM 0 HH TYR A 33 0.549 -4.688 6.260 1.00 0.00 H new ATOM 482 N GLY A 34 -7.468 -2.901 2.981 1.00 0.00 N ATOM 483 CA GLY A 34 -8.672 -2.406 2.340 1.00 0.00 C ATOM 484 C GLY A 34 -8.537 -2.330 0.832 1.00 0.00 C ATOM 485 O GLY A 34 -9.092 -1.434 0.196 1.00 0.00 O ATOM 0 H GLY A 34 -6.901 -3.524 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.509 -3.056 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.907 -1.416 2.731 1.00 0.00 H new ATOM 489 N VAL A 35 -7.796 -3.272 0.258 1.00 0.00 N ATOM 490 CA VAL A 35 -7.589 -3.309 -1.185 1.00 0.00 C ATOM 491 C VAL A 35 -7.841 -4.706 -1.741 1.00 0.00 C ATOM 492 O VAL A 35 -8.258 -5.609 -1.016 1.00 0.00 O ATOM 493 CB VAL A 35 -6.161 -2.869 -1.558 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.885 -1.463 -1.049 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.140 -3.854 -1.009 1.00 0.00 C ATOM 0 H VAL A 35 -7.329 -4.020 0.770 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.302 -2.612 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.075 -2.859 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.871 -1.170 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.597 -0.768 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.989 -1.442 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.136 -3.528 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.224 -3.898 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.327 -4.843 -1.428 1.00 0.00 H new ATOM 505 N THR A 36 -7.584 -4.877 -3.034 1.00 0.00 N ATOM 506 CA THR A 36 -7.782 -6.164 -3.689 1.00 0.00 C ATOM 507 C THR A 36 -6.450 -6.792 -4.082 1.00 0.00 C ATOM 508 O THR A 36 -5.550 -6.109 -4.568 1.00 0.00 O ATOM 509 CB THR A 36 -8.662 -6.024 -4.946 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.416 -7.116 -5.839 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.384 -4.708 -5.657 1.00 0.00 C ATOM 0 H THR A 36 -7.238 -4.140 -3.648 1.00 0.00 H new ATOM 0 HA THR A 36 -8.287 -6.810 -2.971 1.00 0.00 H new ATOM 0 HB THR A 36 -9.707 -6.037 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.980 -7.021 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.017 -4.631 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.599 -3.878 -4.984 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.337 -4.670 -5.956 1.00 0.00 H new ATOM 519 N MET A 37 -6.333 -8.099 -3.869 1.00 0.00 N ATOM 520 CA MET A 37 -5.110 -8.820 -4.203 1.00 0.00 C ATOM 521 C MET A 37 -4.503 -8.291 -5.498 1.00 0.00 C ATOM 522 O MET A 37 -3.344 -7.880 -5.528 1.00 0.00 O ATOM 523 CB MET A 37 -5.395 -10.317 -4.334 1.00 0.00 C ATOM 524 CG MET A 37 -5.907 -10.953 -3.051 1.00 0.00 C ATOM 525 SD MET A 37 -6.964 -12.381 -3.358 1.00 0.00 S ATOM 526 CE MET A 37 -5.739 -13.640 -3.709 1.00 0.00 C ATOM 0 H MET A 37 -7.069 -8.680 -3.467 1.00 0.00 H new ATOM 0 HA MET A 37 -4.394 -8.663 -3.396 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.130 -10.471 -5.124 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.482 -10.827 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.059 -11.258 -2.438 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.463 -10.210 -2.479 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.239 -14.585 -3.920 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.148 -13.341 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.084 -13.761 -2.846 1.00 0.00 H new ATOM 536 N GLU A 38 -5.295 -8.304 -6.566 1.00 0.00 N ATOM 537 CA GLU A 38 -4.834 -7.826 -7.864 1.00 0.00 C ATOM 538 C GLU A 38 -4.056 -6.522 -7.719 1.00 0.00 C ATOM 539 O GLU A 38 -2.888 -6.439 -8.098 1.00 0.00 O ATOM 540 CB GLU A 38 -6.021 -7.622 -8.808 1.00 0.00 C ATOM 541 CG GLU A 38 -5.660 -7.761 -10.278 1.00 0.00 C ATOM 542 CD GLU A 38 -5.497 -9.207 -10.704 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.418 -10.009 -10.448 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.446 -9.535 -11.295 1.00 0.00 O ATOM 0 H GLU A 38 -6.258 -8.640 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.169 -8.580 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.798 -8.346 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.444 -6.632 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.435 -7.293 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.733 -7.222 -10.473 1.00 0.00 H new ATOM 551 N GLN A 39 -4.712 -5.506 -7.167 1.00 0.00 N ATOM 552 CA GLN A 39 -4.082 -4.206 -6.972 1.00 0.00 C ATOM 553 C GLN A 39 -2.656 -4.364 -6.455 1.00 0.00 C ATOM 554 O GLN A 39 -1.697 -3.971 -7.120 1.00 0.00 O ATOM 555 CB GLN A 39 -4.901 -3.360 -5.995 1.00 0.00 C ATOM 556 CG GLN A 39 -6.062 -2.629 -6.649 1.00 0.00 C ATOM 557 CD GLN A 39 -6.815 -1.741 -5.677 1.00 0.00 C ATOM 558 OE1 GLN A 39 -7.818 -2.152 -5.093 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.333 -0.517 -5.498 1.00 0.00 N ATOM 0 H GLN A 39 -5.679 -5.558 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.045 -3.700 -7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.287 -4.004 -5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.245 -2.631 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.686 -2.022 -7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.750 -3.358 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.499 -0.219 -6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.797 0.125 -4.855 1.00 0.00 H new ATOM 568 N ILE A 40 -2.524 -4.939 -5.265 1.00 0.00 N ATOM 569 CA ILE A 40 -1.215 -5.149 -4.659 1.00 0.00 C ATOM 570 C ILE A 40 -0.229 -5.730 -5.667 1.00 0.00 C ATOM 571 O ILE A 40 0.859 -5.192 -5.869 1.00 0.00 O ATOM 572 CB ILE A 40 -1.301 -6.090 -3.442 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.159 -5.460 -2.343 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.091 -6.408 -2.918 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.471 -6.405 -1.204 1.00 0.00 C ATOM 0 H ILE A 40 -3.308 -5.268 -4.701 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.861 -4.172 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.771 -7.022 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.643 -4.585 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.094 -5.109 -2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.013 -7.074 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.673 -6.894 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.587 -5.485 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.082 -5.891 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.014 -7.269 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.541 -6.737 -0.741 1.00 0.00 H new ATOM 587 N LYS A 41 -0.619 -6.832 -6.300 1.00 0.00 N ATOM 588 CA LYS A 41 0.228 -7.485 -7.291 1.00 0.00 C ATOM 589 C LYS A 41 0.579 -6.527 -8.424 1.00 0.00 C ATOM 590 O LYS A 41 1.733 -6.123 -8.573 1.00 0.00 O ATOM 591 CB LYS A 41 -0.475 -8.723 -7.855 1.00 0.00 C ATOM 592 CG LYS A 41 -0.694 -9.819 -6.827 1.00 0.00 C ATOM 593 CD LYS A 41 -1.864 -10.712 -7.206 1.00 0.00 C ATOM 594 CE LYS A 41 -1.431 -11.833 -8.137 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.462 -11.411 -9.565 1.00 0.00 N ATOM 0 H LYS A 41 -1.516 -7.291 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 41 1.151 -7.790 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.439 -8.426 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.116 -9.122 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.210 -10.421 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.878 -9.372 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.306 -11.137 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.637 -10.115 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.423 -12.154 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.085 -12.694 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.012 -12.099 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.905 -10.473 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.491 -11.366 -9.935 1.00 0.00 H new ATOM 609 N ARG A 42 -0.422 -6.164 -9.219 1.00 0.00 N ATOM 610 CA ARG A 42 -0.218 -5.253 -10.338 1.00 0.00 C ATOM 611 C ARG A 42 0.558 -4.015 -9.896 1.00 0.00 C ATOM 612 O ARG A 42 1.270 -3.401 -10.690 1.00 0.00 O ATOM 613 CB ARG A 42 -1.563 -4.837 -10.937 1.00 0.00 C ATOM 614 CG ARG A 42 -1.488 -4.477 -12.411 1.00 0.00 C ATOM 615 CD ARG A 42 -2.869 -4.434 -13.046 1.00 0.00 C ATOM 616 NE ARG A 42 -2.811 -4.082 -14.462 1.00 0.00 N ATOM 617 CZ ARG A 42 -3.865 -3.679 -15.163 1.00 0.00 C ATOM 618 NH1 ARG A 42 -5.052 -3.578 -14.582 1.00 0.00 N ATOM 619 NH2 ARG A 42 -3.732 -3.377 -16.448 1.00 0.00 N ATOM 0 H ARG A 42 -1.383 -6.487 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 42 0.364 -5.775 -11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.276 -5.651 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.949 -3.982 -10.382 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.004 -3.507 -12.525 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.869 -5.206 -12.934 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.350 -5.406 -12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.488 -3.709 -12.518 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.912 -4.149 -14.939 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.158 -3.810 -13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.860 -3.268 -15.123 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.820 -3.454 -16.898 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.542 -3.068 -16.986 1.00 0.00 H new ATOM 633 N ALA A 43 0.415 -3.656 -8.625 1.00 0.00 N ATOM 634 CA ALA A 43 1.104 -2.493 -8.078 1.00 0.00 C ATOM 635 C ALA A 43 2.602 -2.750 -7.956 1.00 0.00 C ATOM 636 O ALA A 43 3.411 -1.833 -8.089 1.00 0.00 O ATOM 637 CB ALA A 43 0.518 -2.122 -6.723 1.00 0.00 C ATOM 0 H ALA A 43 -0.171 -4.153 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 43 0.960 -1.659 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.042 -1.252 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.541 -1.888 -6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.633 -2.960 -6.035 1.00 0.00 H new ATOM 643 N ASN A 44 2.964 -4.003 -7.702 1.00 0.00 N ATOM 644 CA ASN A 44 4.366 -4.380 -7.561 1.00 0.00 C ATOM 645 C ASN A 44 4.722 -5.519 -8.511 1.00 0.00 C ATOM 646 O ASN A 44 5.691 -6.245 -8.291 1.00 0.00 O ATOM 647 CB ASN A 44 4.662 -4.793 -6.118 1.00 0.00 C ATOM 648 CG ASN A 44 4.177 -3.767 -5.112 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.270 -2.562 -5.344 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.657 -4.242 -3.987 1.00 0.00 N ATOM 0 H ASN A 44 2.306 -4.775 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 44 4.976 -3.514 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.187 -5.752 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.736 -4.937 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.315 -3.600 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.600 -5.249 -3.837 1.00 0.00 H new ATOM 657 N ARG A 45 3.930 -5.670 -9.568 1.00 0.00 N ATOM 658 CA ARG A 45 4.160 -6.721 -10.551 1.00 0.00 C ATOM 659 C ARG A 45 4.740 -7.968 -9.889 1.00 0.00 C ATOM 660 O ARG A 45 5.708 -8.551 -10.378 1.00 0.00 O ATOM 661 CB ARG A 45 5.106 -6.226 -11.646 1.00 0.00 C ATOM 662 CG ARG A 45 4.588 -5.010 -12.395 1.00 0.00 C ATOM 663 CD ARG A 45 4.890 -3.722 -11.644 1.00 0.00 C ATOM 664 NE ARG A 45 4.843 -2.554 -12.519 1.00 0.00 N ATOM 665 CZ ARG A 45 4.984 -1.306 -12.087 1.00 0.00 C ATOM 666 NH1 ARG A 45 5.182 -1.066 -10.798 1.00 0.00 N ATOM 667 NH2 ARG A 45 4.929 -0.295 -12.945 1.00 0.00 N ATOM 0 H ARG A 45 3.123 -5.077 -9.765 1.00 0.00 H new ATOM 0 HA ARG A 45 3.201 -6.981 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.070 -5.983 -11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.279 -7.034 -12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.043 -4.970 -13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.512 -5.103 -12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.171 -3.597 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.877 -3.792 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 45 4.694 -2.705 -13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.226 -1.841 -10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.290 -0.107 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.778 -0.476 -13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.037 0.663 -12.612 1.00 0.00 H new ATOM 681 N LEU A 46 4.141 -8.371 -8.774 1.00 0.00 N ATOM 682 CA LEU A 46 4.597 -9.549 -8.043 1.00 0.00 C ATOM 683 C LEU A 46 4.296 -10.824 -8.823 1.00 0.00 C ATOM 684 O LEU A 46 4.839 -11.889 -8.526 1.00 0.00 O ATOM 685 CB LEU A 46 3.932 -9.610 -6.667 1.00 0.00 C ATOM 686 CG LEU A 46 4.658 -8.879 -5.537 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.804 -8.860 -4.279 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.005 -9.530 -5.261 1.00 0.00 C ATOM 0 H LEU A 46 3.339 -7.900 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 46 5.676 -9.470 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.927 -9.197 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.823 -10.657 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 46 4.832 -7.849 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.337 -8.336 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.864 -8.348 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.598 -9.883 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.508 -8.997 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.854 -10.570 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.619 -9.490 -6.160 1.00 0.00 H new ATOM 700 N TYR A 47 3.430 -10.709 -9.823 1.00 0.00 N ATOM 701 CA TYR A 47 3.056 -11.853 -10.647 1.00 0.00 C ATOM 702 C TYR A 47 4.293 -12.549 -11.206 1.00 0.00 C ATOM 703 O TYR A 47 4.943 -12.045 -12.123 1.00 0.00 O ATOM 704 CB TYR A 47 2.146 -11.408 -11.793 1.00 0.00 C ATOM 705 CG TYR A 47 2.831 -10.505 -12.794 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.879 -9.130 -12.601 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.429 -11.027 -13.934 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.503 -8.302 -13.513 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.056 -10.207 -14.852 1.00 0.00 C ATOM 710 CZ TYR A 47 4.090 -8.845 -14.637 1.00 0.00 C ATOM 711 OH TYR A 47 4.713 -8.024 -15.549 1.00 0.00 O ATOM 0 H TYR A 47 2.973 -9.835 -10.083 1.00 0.00 H new ATOM 0 HA TYR A 47 2.516 -12.560 -10.018 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.769 -12.290 -12.310 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.282 -10.888 -11.379 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.420 -8.701 -11.722 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.403 -12.093 -14.106 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.531 -7.235 -13.347 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.517 -10.630 -15.733 1.00 0.00 H new ATOM 0 HH TYR A 47 5.075 -8.565 -16.282 1.00 0.00 H new ATOM 721 N THR A 48 4.613 -13.712 -10.647 1.00 0.00 N ATOM 722 CA THR A 48 5.771 -14.479 -11.088 1.00 0.00 C ATOM 723 C THR A 48 5.425 -15.954 -11.251 1.00 0.00 C ATOM 724 O THR A 48 4.436 -16.434 -10.698 1.00 0.00 O ATOM 725 CB THR A 48 6.943 -14.345 -10.097 1.00 0.00 C ATOM 726 OG1 THR A 48 6.525 -14.742 -8.787 1.00 0.00 O ATOM 727 CG2 THR A 48 7.459 -12.915 -10.059 1.00 0.00 C ATOM 0 H THR A 48 4.086 -14.143 -9.888 1.00 0.00 H new ATOM 0 HA THR A 48 6.071 -14.071 -12.053 1.00 0.00 H new ATOM 0 HB THR A 48 7.750 -14.996 -10.433 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.472 -15.720 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.286 -12.845 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.804 -12.626 -11.052 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.657 -12.247 -9.746 1.00 0.00 H new ATOM 735 N ASN A 49 6.245 -16.669 -12.014 1.00 0.00 N ATOM 736 CA ASN A 49 6.025 -18.091 -12.250 1.00 0.00 C ATOM 737 C ASN A 49 5.851 -18.841 -10.932 1.00 0.00 C ATOM 738 O ASN A 49 5.027 -19.750 -10.827 1.00 0.00 O ATOM 739 CB ASN A 49 7.194 -18.686 -13.038 1.00 0.00 C ATOM 740 CG ASN A 49 6.811 -19.960 -13.766 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.167 -20.843 -13.199 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.207 -20.061 -15.029 1.00 0.00 N ATOM 0 H ASN A 49 7.068 -16.287 -12.480 1.00 0.00 H new ATOM 0 HA ASN A 49 5.110 -18.200 -12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.553 -17.952 -13.760 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.019 -18.894 -12.357 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.979 -20.895 -15.570 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.739 -19.304 -15.459 1.00 0.00 H new ATOM 749 N ASP A 50 6.632 -18.453 -9.930 1.00 0.00 N ATOM 750 CA ASP A 50 6.565 -19.087 -8.618 1.00 0.00 C ATOM 751 C ASP A 50 5.828 -18.196 -7.622 1.00 0.00 C ATOM 752 O ASP A 50 5.759 -16.979 -7.796 1.00 0.00 O ATOM 753 CB ASP A 50 7.971 -19.394 -8.103 1.00 0.00 C ATOM 754 CG ASP A 50 8.554 -20.649 -8.723 1.00 0.00 C ATOM 755 OD1 ASP A 50 9.052 -20.569 -9.865 1.00 0.00 O ATOM 756 OD2 ASP A 50 8.510 -21.710 -8.067 1.00 0.00 O ATOM 0 H ASP A 50 7.319 -17.702 -10.001 1.00 0.00 H new ATOM 0 HA ASP A 50 6.013 -20.021 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.626 -18.549 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.941 -19.508 -7.019 1.00 0.00 H new ATOM 761 N SER A 51 5.278 -18.812 -6.580 1.00 0.00 N ATOM 762 CA SER A 51 4.542 -18.075 -5.559 1.00 0.00 C ATOM 763 C SER A 51 5.232 -16.752 -5.240 1.00 0.00 C ATOM 764 O SER A 51 6.415 -16.571 -5.528 1.00 0.00 O ATOM 765 CB SER A 51 4.414 -18.916 -4.287 1.00 0.00 C ATOM 766 OG SER A 51 3.320 -19.812 -4.376 1.00 0.00 O ATOM 0 H SER A 51 5.328 -19.818 -6.421 1.00 0.00 H new ATOM 0 HA SER A 51 3.546 -17.861 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.335 -19.476 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.282 -18.261 -3.426 1.00 0.00 H new ATOM 0 HG SER A 51 3.261 -20.339 -3.552 1.00 0.00 H new ATOM 772 N ILE A 52 4.482 -15.830 -4.645 1.00 0.00 N ATOM 773 CA ILE A 52 5.020 -14.524 -4.287 1.00 0.00 C ATOM 774 C ILE A 52 5.976 -14.630 -3.103 1.00 0.00 C ATOM 775 O ILE A 52 6.872 -13.800 -2.939 1.00 0.00 O ATOM 776 CB ILE A 52 3.898 -13.529 -3.938 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.032 -14.081 -2.803 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.048 -13.238 -5.166 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.387 -13.005 -1.958 1.00 0.00 C ATOM 0 H ILE A 52 3.501 -15.964 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 52 5.562 -14.156 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 52 4.351 -12.596 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.253 -14.715 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.646 -14.715 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.259 -12.533 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.674 -12.808 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.601 -14.164 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.788 -13.468 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.161 -12.385 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.746 -12.385 -2.585 1.00 0.00 H new ATOM 791 N PHE A 53 5.782 -15.656 -2.282 1.00 0.00 N ATOM 792 CA PHE A 53 6.628 -15.872 -1.114 1.00 0.00 C ATOM 793 C PHE A 53 8.103 -15.728 -1.476 1.00 0.00 C ATOM 794 O PHE A 53 8.947 -15.497 -0.610 1.00 0.00 O ATOM 795 CB PHE A 53 6.369 -17.257 -0.519 1.00 0.00 C ATOM 796 CG PHE A 53 5.074 -17.353 0.236 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.928 -16.737 1.468 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.003 -18.061 -0.286 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.738 -16.823 2.166 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.811 -18.150 0.407 1.00 0.00 C ATOM 801 CZ PHE A 53 2.678 -17.532 1.634 1.00 0.00 C ATOM 0 H PHE A 53 5.046 -16.352 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 53 6.379 -15.114 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.368 -17.994 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.190 -17.516 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.754 -16.183 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.101 -18.548 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.637 -16.337 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.983 -18.703 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.747 -17.602 2.177 1.00 0.00 H new ATOM 811 N LEU A 54 8.406 -15.869 -2.762 1.00 0.00 N ATOM 812 CA LEU A 54 9.779 -15.756 -3.241 1.00 0.00 C ATOM 813 C LEU A 54 10.449 -14.504 -2.684 1.00 0.00 C ATOM 814 O LEU A 54 11.648 -14.500 -2.404 1.00 0.00 O ATOM 815 CB LEU A 54 9.806 -15.726 -4.770 1.00 0.00 C ATOM 816 CG LEU A 54 9.301 -16.985 -5.476 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.844 -16.658 -6.889 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.383 -18.055 -5.497 1.00 0.00 C ATOM 0 H LEU A 54 7.719 -16.062 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 54 10.332 -16.628 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.207 -14.880 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.831 -15.540 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 54 8.447 -17.372 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.488 -17.566 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.037 -15.927 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.679 -16.246 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.006 -18.944 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.257 -17.678 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.662 -18.311 -4.475 1.00 0.00 H new ATOM 830 N LYS A 55 9.667 -13.442 -2.525 1.00 0.00 N ATOM 831 CA LYS A 55 10.182 -12.184 -1.998 1.00 0.00 C ATOM 832 C LYS A 55 10.312 -12.242 -0.479 1.00 0.00 C ATOM 833 O LYS A 55 10.081 -13.284 0.134 1.00 0.00 O ATOM 834 CB LYS A 55 9.264 -11.026 -2.398 1.00 0.00 C ATOM 835 CG LYS A 55 9.193 -10.796 -3.897 1.00 0.00 C ATOM 836 CD LYS A 55 8.943 -9.334 -4.226 1.00 0.00 C ATOM 837 CE LYS A 55 10.247 -8.566 -4.377 1.00 0.00 C ATOM 838 NZ LYS A 55 10.015 -7.105 -4.545 1.00 0.00 N ATOM 0 H LYS A 55 8.673 -13.427 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 55 11.172 -12.019 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.260 -11.222 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.613 -10.113 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.125 -11.120 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.397 -11.407 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.367 -9.261 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.341 -8.880 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.872 -8.736 -3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.795 -8.948 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.928 -6.618 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.440 -6.940 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.514 -6.735 -3.712 1.00 0.00 H new ATOM 852 N LYS A 56 10.682 -11.117 0.122 1.00 0.00 N ATOM 853 CA LYS A 56 10.840 -11.038 1.569 1.00 0.00 C ATOM 854 C LYS A 56 9.850 -10.046 2.172 1.00 0.00 C ATOM 855 O LYS A 56 9.168 -10.350 3.151 1.00 0.00 O ATOM 856 CB LYS A 56 12.271 -10.627 1.925 1.00 0.00 C ATOM 857 CG LYS A 56 13.242 -11.794 1.983 1.00 0.00 C ATOM 858 CD LYS A 56 14.591 -11.369 2.536 1.00 0.00 C ATOM 859 CE LYS A 56 15.340 -10.477 1.558 1.00 0.00 C ATOM 860 NZ LYS A 56 14.988 -9.041 1.737 1.00 0.00 N ATOM 0 H LYS A 56 10.878 -10.246 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 56 10.637 -12.025 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.627 -9.905 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.265 -10.121 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.825 -12.585 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.372 -12.210 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.448 -10.839 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.190 -12.253 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.413 -10.608 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.110 -10.783 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.581 -8.671 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.293 -8.947 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.844 -8.501 1.977 1.00 0.00 H new ATOM 874 N THR A 57 9.776 -8.858 1.580 1.00 0.00 N ATOM 875 CA THR A 57 8.870 -7.821 2.058 1.00 0.00 C ATOM 876 C THR A 57 7.999 -7.288 0.926 1.00 0.00 C ATOM 877 O THR A 57 8.470 -7.091 -0.194 1.00 0.00 O ATOM 878 CB THR A 57 9.642 -6.649 2.692 1.00 0.00 C ATOM 879 OG1 THR A 57 10.927 -6.518 2.076 1.00 0.00 O ATOM 880 CG2 THR A 57 9.811 -6.859 4.189 1.00 0.00 C ATOM 0 H THR A 57 10.333 -8.590 0.768 1.00 0.00 H new ATOM 0 HA THR A 57 8.235 -8.280 2.816 1.00 0.00 H new ATOM 0 HB THR A 57 9.068 -5.736 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.410 -5.769 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.359 -6.019 4.615 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.830 -6.928 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.365 -7.781 4.367 1.00 0.00 H new ATOM 888 N LEU A 58 6.725 -7.055 1.226 1.00 0.00 N ATOM 889 CA LEU A 58 5.787 -6.543 0.233 1.00 0.00 C ATOM 890 C LEU A 58 5.158 -5.235 0.702 1.00 0.00 C ATOM 891 O LEU A 58 4.722 -5.120 1.848 1.00 0.00 O ATOM 892 CB LEU A 58 4.695 -7.577 -0.046 1.00 0.00 C ATOM 893 CG LEU A 58 5.147 -8.859 -0.746 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.951 -9.605 -1.317 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.153 -8.541 -1.843 1.00 0.00 C ATOM 0 H LEU A 58 6.319 -7.213 2.148 1.00 0.00 H new ATOM 0 HA LEU A 58 6.339 -6.350 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.230 -7.849 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.924 -7.106 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 58 5.632 -9.501 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.292 -10.515 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.266 -9.865 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.437 -8.970 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.464 -9.465 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.693 -7.880 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.023 -8.050 -1.407 1.00 0.00 H new ATOM 907 N TYR A 59 5.112 -4.253 -0.191 1.00 0.00 N ATOM 908 CA TYR A 59 4.536 -2.953 0.131 1.00 0.00 C ATOM 909 C TYR A 59 3.027 -2.955 -0.092 1.00 0.00 C ATOM 910 O TYR A 59 2.521 -3.643 -0.979 1.00 0.00 O ATOM 911 CB TYR A 59 5.187 -1.859 -0.717 1.00 0.00 C ATOM 912 CG TYR A 59 6.621 -2.157 -1.093 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.479 -2.783 -0.198 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.117 -1.812 -2.345 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.790 -3.057 -0.538 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.426 -2.083 -2.693 1.00 0.00 C ATOM 917 CZ TYR A 59 9.258 -2.705 -1.786 1.00 0.00 C ATOM 918 OH TYR A 59 10.563 -2.977 -2.129 1.00 0.00 O ATOM 0 H TYR A 59 5.467 -4.333 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 59 4.729 -2.750 1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.603 -1.720 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.152 -0.917 -0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.115 -3.060 0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.468 -1.324 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.444 -3.544 0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.796 -1.809 -3.670 1.00 0.00 H new ATOM 0 HH TYR A 59 10.733 -2.666 -3.043 1.00 0.00 H new ATOM 928 N ILE A 60 2.315 -2.181 0.719 1.00 0.00 N ATOM 929 CA ILE A 60 0.864 -2.091 0.609 1.00 0.00 C ATOM 930 C ILE A 60 0.422 -0.661 0.317 1.00 0.00 C ATOM 931 O ILE A 60 0.730 0.274 1.056 1.00 0.00 O ATOM 932 CB ILE A 60 0.171 -2.577 1.896 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.650 -3.985 2.259 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.340 -2.554 1.725 1.00 0.00 C ATOM 935 CD1 ILE A 60 -0.013 -5.076 1.448 1.00 0.00 C ATOM 0 H ILE A 60 2.719 -1.607 1.459 1.00 0.00 H new ATOM 0 HA ILE A 60 0.570 -2.736 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 60 0.435 -1.902 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.729 -4.041 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.460 -4.163 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.815 -2.900 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.666 -1.537 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.623 -3.209 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.374 -6.046 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.090 -5.046 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.199 -4.923 0.390 1.00 0.00 H new ATOM 947 N PRO A 61 -0.320 -0.486 -0.787 1.00 0.00 N ATOM 948 CA PRO A 61 -0.823 0.827 -1.202 1.00 0.00 C ATOM 949 C PRO A 61 -1.909 1.353 -0.269 1.00 0.00 C ATOM 950 O PRO A 61 -2.976 0.751 -0.142 1.00 0.00 O ATOM 951 CB PRO A 61 -1.398 0.563 -2.596 1.00 0.00 C ATOM 952 CG PRO A 61 -1.746 -0.886 -2.593 1.00 0.00 C ATOM 953 CD PRO A 61 -0.726 -1.555 -1.714 1.00 0.00 C ATOM 0 HA PRO A 61 -0.041 1.586 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.276 1.181 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.671 0.794 -3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.754 -1.044 -2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.720 -1.296 -3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.150 -2.407 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.119 -1.928 -2.292 1.00 0.00 H new ATOM 961 N ILE A 62 -1.631 2.479 0.380 1.00 0.00 N ATOM 962 CA ILE A 62 -2.586 3.086 1.299 1.00 0.00 C ATOM 963 C ILE A 62 -3.488 4.081 0.577 1.00 0.00 C ATOM 964 O ILE A 62 -3.029 5.119 0.100 1.00 0.00 O ATOM 965 CB ILE A 62 -1.871 3.805 2.458 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.778 2.911 3.046 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.873 4.203 3.532 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.037 3.584 4.128 1.00 0.00 C ATOM 0 H ILE A 62 -0.753 2.989 0.286 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.194 2.277 1.703 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.403 4.710 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.237 2.011 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.111 2.592 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.353 4.710 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.618 4.873 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.366 3.311 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.793 2.891 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.525 4.468 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.619 3.878 4.948 1.00 0.00 H new ATOM 980 N LEU A 63 -4.774 3.758 0.502 1.00 0.00 N ATOM 981 CA LEU A 63 -5.743 4.624 -0.161 1.00 0.00 C ATOM 982 C LEU A 63 -6.598 5.367 0.861 1.00 0.00 C ATOM 983 O LEU A 63 -7.494 4.787 1.477 1.00 0.00 O ATOM 984 CB LEU A 63 -6.639 3.803 -1.091 1.00 0.00 C ATOM 985 CG LEU A 63 -5.918 2.935 -2.123 1.00 0.00 C ATOM 986 CD1 LEU A 63 -6.872 1.913 -2.720 1.00 0.00 C ATOM 987 CD2 LEU A 63 -5.308 3.801 -3.216 1.00 0.00 C ATOM 0 H LEU A 63 -5.170 2.903 0.892 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.193 5.358 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.269 3.157 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.302 4.487 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.113 2.399 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.341 1.304 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.260 1.272 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.699 2.429 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.799 3.166 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.096 4.364 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.592 4.494 -2.774 1.00 0.00 H new ATOM 999 N THR A 64 -6.317 6.654 1.036 1.00 0.00 N ATOM 1000 CA THR A 64 -7.060 7.477 1.983 1.00 0.00 C ATOM 1001 C THR A 64 -7.638 8.712 1.302 1.00 0.00 C ATOM 1002 O THR A 64 -7.060 9.235 0.350 1.00 0.00 O ATOM 1003 CB THR A 64 -6.170 7.923 3.159 1.00 0.00 C ATOM 1004 OG1 THR A 64 -6.945 8.669 4.104 1.00 0.00 O ATOM 1005 CG2 THR A 64 -5.007 8.770 2.667 1.00 0.00 C ATOM 0 H THR A 64 -5.580 7.150 0.534 1.00 0.00 H new ATOM 0 HA THR A 64 -7.874 6.861 2.366 1.00 0.00 H new ATOM 0 HB THR A 64 -5.770 7.031 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.373 8.947 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.393 9.073 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.403 8.189 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.391 9.656 2.162 1.00 0.00 H new ATOM 1013 N GLU A 65 -8.783 9.173 1.796 1.00 0.00 N ATOM 1014 CA GLU A 65 -9.439 10.348 1.234 1.00 0.00 C ATOM 1015 C GLU A 65 -9.232 11.567 2.127 1.00 0.00 C ATOM 1016 O GLU A 65 -8.974 11.453 3.326 1.00 0.00 O ATOM 1017 CB GLU A 65 -10.935 10.085 1.049 1.00 0.00 C ATOM 1018 CG GLU A 65 -11.279 9.436 -0.280 1.00 0.00 C ATOM 1019 CD GLU A 65 -12.740 9.606 -0.651 1.00 0.00 C ATOM 1020 OE1 GLU A 65 -13.597 9.488 0.249 1.00 0.00 O ATOM 1021 OE2 GLU A 65 -13.026 9.855 -1.841 1.00 0.00 O ATOM 0 H GLU A 65 -9.275 8.751 2.584 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.990 10.552 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.285 9.444 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.474 11.028 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.656 9.868 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.041 8.373 -0.234 1.00 0.00 H new ATOM 1028 N PRO A 66 -9.347 12.763 1.532 1.00 0.00 N ATOM 1029 CA PRO A 66 -9.176 14.027 2.254 1.00 0.00 C ATOM 1030 C PRO A 66 -10.316 14.295 3.231 1.00 0.00 C ATOM 1031 O PRO A 66 -10.345 15.330 3.898 1.00 0.00 O ATOM 1032 CB PRO A 66 -9.171 15.076 1.139 1.00 0.00 C ATOM 1033 CG PRO A 66 -9.937 14.449 0.026 1.00 0.00 C ATOM 1034 CD PRO A 66 -9.653 12.974 0.107 1.00 0.00 C ATOM 0 HA PRO A 66 -8.272 14.029 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.638 16.005 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.155 15.322 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.004 14.647 0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.627 14.854 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.511 12.382 -0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.815 12.691 -0.530 1.00 0.00 H new ATOM 1042 N ARG A 67 -11.253 13.356 3.312 1.00 0.00 N ATOM 1043 CA ARG A 67 -12.395 13.491 4.207 1.00 0.00 C ATOM 1044 C ARG A 67 -12.112 12.832 5.554 1.00 0.00 C ATOM 1045 O ARG A 67 -12.048 11.607 5.655 1.00 0.00 O ATOM 1046 CB ARG A 67 -13.642 12.869 3.575 1.00 0.00 C ATOM 1047 CG ARG A 67 -14.869 12.920 4.472 1.00 0.00 C ATOM 1048 CD ARG A 67 -16.152 12.965 3.657 1.00 0.00 C ATOM 1049 NE ARG A 67 -17.328 13.173 4.499 1.00 0.00 N ATOM 1050 CZ ARG A 67 -18.543 13.412 4.018 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -18.741 13.473 2.709 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -19.562 13.591 4.848 1.00 0.00 N ATOM 0 H ARG A 67 -11.243 12.493 2.768 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.571 14.554 4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.863 13.387 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.431 11.830 3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.881 12.047 5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.814 13.798 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.086 13.767 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.263 12.033 3.103 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.210 13.132 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.959 13.336 2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -19.675 13.657 2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.413 13.545 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -20.495 13.775 4.478 1.00 0.00 H new ATOM 1066 N ASP A 68 -11.943 13.653 6.585 1.00 0.00 N ATOM 1067 CA ASP A 68 -11.666 13.150 7.925 1.00 0.00 C ATOM 1068 C ASP A 68 -12.433 13.949 8.974 1.00 0.00 C ATOM 1069 O ASP A 68 -12.474 15.179 8.925 1.00 0.00 O ATOM 1070 CB ASP A 68 -10.166 13.210 8.216 1.00 0.00 C ATOM 1071 CG ASP A 68 -9.387 12.152 7.460 1.00 0.00 C ATOM 1072 OD1 ASP A 68 -9.898 11.021 7.327 1.00 0.00 O ATOM 1073 OD2 ASP A 68 -8.265 12.455 7.001 1.00 0.00 O ATOM 0 H ASP A 68 -11.993 14.670 6.518 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.995 12.112 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.786 14.196 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.001 13.083 9.286 1.00 0.00 H new ATOM 1078 N LEU A 69 -13.041 13.243 9.921 1.00 0.00 N ATOM 1079 CA LEU A 69 -13.808 13.886 10.982 1.00 0.00 C ATOM 1080 C LEU A 69 -13.047 15.076 11.559 1.00 0.00 C ATOM 1081 O LEU A 69 -13.642 16.093 11.915 1.00 0.00 O ATOM 1082 CB LEU A 69 -14.124 12.881 12.091 1.00 0.00 C ATOM 1083 CG LEU A 69 -12.930 12.116 12.664 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -13.207 11.691 14.097 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -12.609 10.906 11.799 1.00 0.00 C ATOM 0 H LEU A 69 -13.018 12.225 9.976 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.742 14.249 10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.615 13.412 12.906 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.842 12.158 11.704 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.064 12.778 12.665 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.347 11.148 14.488 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.388 12.574 14.710 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.085 11.046 14.122 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.757 10.373 12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.473 10.242 11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.367 11.235 10.788 1.00 0.00 H new ATOM 1097 N PHE A 70 -11.728 14.941 11.648 1.00 0.00 N ATOM 1098 CA PHE A 70 -10.885 16.005 12.180 1.00 0.00 C ATOM 1099 C PHE A 70 -9.454 15.874 11.667 1.00 0.00 C ATOM 1100 O PHE A 70 -8.822 14.830 11.820 1.00 0.00 O ATOM 1101 CB PHE A 70 -10.895 15.975 13.710 1.00 0.00 C ATOM 1102 CG PHE A 70 -10.689 17.324 14.338 1.00 0.00 C ATOM 1103 CD1 PHE A 70 -9.413 17.785 14.617 1.00 0.00 C ATOM 1104 CD2 PHE A 70 -11.772 18.130 14.648 1.00 0.00 C ATOM 1105 CE1 PHE A 70 -9.222 19.026 15.196 1.00 0.00 C ATOM 1106 CE2 PHE A 70 -11.587 19.372 15.227 1.00 0.00 C ATOM 1107 CZ PHE A 70 -10.310 19.821 15.500 1.00 0.00 C ATOM 0 H PHE A 70 -11.220 14.105 11.359 1.00 0.00 H new ATOM 0 HA PHE A 70 -11.288 16.959 11.839 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -11.846 15.566 14.051 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -10.114 15.298 14.057 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.558 17.169 14.380 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.773 17.784 14.435 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.222 19.374 15.411 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.440 19.990 15.465 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.162 20.792 15.950 1.00 0.00 H new ATOM 1117 N ASN A 71 -8.951 16.942 11.056 1.00 0.00 N ATOM 1118 CA ASN A 71 -7.596 16.947 10.518 1.00 0.00 C ATOM 1119 C ASN A 71 -6.630 17.628 11.484 1.00 0.00 C ATOM 1120 O ASN A 71 -6.878 18.742 11.943 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.565 17.657 9.163 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.425 16.961 8.126 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.654 17.015 8.185 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -7.781 16.303 7.169 1.00 0.00 N ATOM 0 H ASN A 71 -9.462 17.815 10.921 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.281 15.912 10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.909 18.684 9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.537 17.706 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.306 15.815 6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.761 16.285 7.160 1.00 0.00 H new ATOM 1131 N SER A 72 -5.528 16.949 11.786 1.00 0.00 N ATOM 1132 CA SER A 72 -4.526 17.486 12.699 1.00 0.00 C ATOM 1133 C SER A 72 -3.814 18.686 12.080 1.00 0.00 C ATOM 1134 O SER A 72 -3.645 19.721 12.723 1.00 0.00 O ATOM 1135 CB SER A 72 -3.506 16.406 13.064 1.00 0.00 C ATOM 1136 OG SER A 72 -2.677 16.093 11.958 1.00 0.00 O ATOM 0 H SER A 72 -5.307 16.026 11.412 1.00 0.00 H new ATOM 0 HA SER A 72 -5.035 17.815 13.605 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.892 16.748 13.897 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.026 15.508 13.398 1.00 0.00 H new ATOM 0 HG SER A 72 -2.033 15.402 12.217 1.00 0.00 H new ATOM 1142 N GLY A 73 -3.398 18.536 10.826 1.00 0.00 N ATOM 1143 CA GLY A 73 -2.709 19.614 10.140 1.00 0.00 C ATOM 1144 C GLY A 73 -1.275 19.261 9.800 1.00 0.00 C ATOM 1145 O GLY A 73 -0.900 18.090 9.732 1.00 0.00 O ATOM 0 H GLY A 73 -3.526 17.688 10.273 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.246 19.860 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.722 20.506 10.766 1.00 0.00 H new ATOM 1149 N PRO A 74 -0.444 20.291 9.578 1.00 0.00 N ATOM 1150 CA PRO A 74 0.970 20.109 9.238 1.00 0.00 C ATOM 1151 C PRO A 74 1.785 19.578 10.413 1.00 0.00 C ATOM 1152 O PRO A 74 2.938 19.180 10.252 1.00 0.00 O ATOM 1153 CB PRO A 74 1.429 21.520 8.863 1.00 0.00 C ATOM 1154 CG PRO A 74 0.499 22.427 9.592 1.00 0.00 C ATOM 1155 CD PRO A 74 -0.823 21.713 9.642 1.00 0.00 C ATOM 0 HA PRO A 74 1.107 19.376 8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.464 21.692 9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.376 21.681 7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.867 22.638 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.406 23.384 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.370 21.943 10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.465 21.996 8.808 1.00 0.00 H new ATOM 1163 N SER A 75 1.177 19.576 11.596 1.00 0.00 N ATOM 1164 CA SER A 75 1.848 19.098 12.799 1.00 0.00 C ATOM 1165 C SER A 75 2.294 17.648 12.632 1.00 0.00 C ATOM 1166 O SER A 75 1.501 16.782 12.264 1.00 0.00 O ATOM 1167 CB SER A 75 0.920 19.222 14.009 1.00 0.00 C ATOM 1168 OG SER A 75 0.712 20.580 14.354 1.00 0.00 O ATOM 0 H SER A 75 0.222 19.900 11.746 1.00 0.00 H new ATOM 0 HA SER A 75 2.731 19.715 12.963 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.037 18.749 13.788 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.350 18.690 14.857 1.00 0.00 H new ATOM 0 HG SER A 75 0.114 20.633 15.129 1.00 0.00 H new ATOM 1174 N SER A 76 3.569 17.393 12.906 1.00 0.00 N ATOM 1175 CA SER A 76 4.123 16.050 12.783 1.00 0.00 C ATOM 1176 C SER A 76 4.683 15.569 14.119 1.00 0.00 C ATOM 1177 O SER A 76 5.087 16.370 14.960 1.00 0.00 O ATOM 1178 CB SER A 76 5.221 16.023 11.718 1.00 0.00 C ATOM 1179 OG SER A 76 5.824 14.743 11.638 1.00 0.00 O ATOM 0 H SER A 76 4.238 18.099 13.215 1.00 0.00 H new ATOM 0 HA SER A 76 3.319 15.378 12.482 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.799 16.290 10.749 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.978 16.771 11.953 1.00 0.00 H new ATOM 0 HG SER A 76 6.521 14.752 10.949 1.00 0.00 H new ATOM 1185 N GLY A 77 4.704 14.252 14.305 1.00 0.00 N ATOM 1186 CA GLY A 77 5.216 13.686 15.539 1.00 0.00 C ATOM 1187 C GLY A 77 6.723 13.528 15.523 1.00 0.00 C ATOM 1188 O GLY A 77 7.281 12.927 14.605 1.00 0.00 O ATOM 0 H GLY A 77 4.376 13.568 13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.930 14.325 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.754 12.714 15.708 1.00 0.00 H new TER 1192 GLY A 77