USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 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 64 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 ASN : amide:sc= -1.95 X(o=-2,f=-1.9) USER MOD Set 2.1: A 1 GLY N :NH3+ -109:sc= 0.0392 (180deg=0) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 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 180:sc= -0.289 USER MOD Single : A 8 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.4) USER MOD Single : A 12 SER OG : rot 43:sc= 0.00401 USER MOD Single : A 14 SER OG : rot 69:sc= 1.17 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0018 USER MOD Single : A 35 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.57) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0174 (180deg=-0.327) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.17) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 62 SER OG : rot 25:sc= 0.396 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= 0.579 (180deg=-0.134) USER MOD Single : A 73 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.7!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 137:sc= -0.825 USER MOD Single : A 78 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.6!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 172:sc= 0.072 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 95 SER OG : rot 43:sc= 1.25 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.292 0.919 -35.218 1.00 0.00 N ATOM 2 CA GLY A 1 -2.521 2.390 -35.187 1.00 0.00 C ATOM 3 C GLY A 1 -3.416 2.861 -36.317 1.00 0.00 C ATOM 4 O GLY A 1 -3.542 2.186 -37.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.800 0.472 -34.428 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.642 0.532 -36.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.274 0.724 -35.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.971 2.665 -34.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.562 2.905 -35.248 1.00 0.00 H new ATOM 10 N SER A 2 -4.039 4.021 -36.133 1.00 0.00 N ATOM 11 CA SER A 2 -4.926 4.580 -37.145 1.00 0.00 C ATOM 12 C SER A 2 -4.462 5.969 -37.571 1.00 0.00 C ATOM 13 O SER A 2 -4.424 6.284 -38.760 1.00 0.00 O ATOM 14 CB SER A 2 -6.359 4.651 -36.613 1.00 0.00 C ATOM 15 OG SER A 2 -6.374 4.818 -35.206 1.00 0.00 O ATOM 0 H SER A 2 -3.945 4.591 -35.292 1.00 0.00 H new ATOM 0 HA SER A 2 -4.899 3.925 -38.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.885 5.480 -37.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.895 3.740 -36.880 1.00 0.00 H new ATOM 0 HG SER A 2 -7.301 4.862 -34.892 1.00 0.00 H new ATOM 21 N SER A 3 -4.110 6.797 -36.592 1.00 0.00 N ATOM 22 CA SER A 3 -3.649 8.153 -36.868 1.00 0.00 C ATOM 23 C SER A 3 -2.382 8.469 -36.080 1.00 0.00 C ATOM 24 O SER A 3 -2.147 9.615 -35.697 1.00 0.00 O ATOM 25 CB SER A 3 -4.742 9.166 -36.524 1.00 0.00 C ATOM 26 OG SER A 3 -4.695 10.283 -37.394 1.00 0.00 O ATOM 0 H SER A 3 -4.135 6.553 -35.602 1.00 0.00 H new ATOM 0 HA SER A 3 -3.421 8.222 -37.932 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.719 8.688 -36.593 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.622 9.499 -35.493 1.00 0.00 H new ATOM 0 HG SER A 3 -5.405 10.915 -37.154 1.00 0.00 H new ATOM 32 N GLY A 4 -1.568 7.445 -35.842 1.00 0.00 N ATOM 33 CA GLY A 4 -0.335 7.637 -35.101 1.00 0.00 C ATOM 34 C GLY A 4 0.744 6.650 -35.504 1.00 0.00 C ATOM 35 O GLY A 4 1.160 6.614 -36.662 1.00 0.00 O ATOM 0 H GLY A 4 -1.740 6.487 -36.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.027 8.652 -35.262 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.536 7.535 -34.035 1.00 0.00 H new ATOM 39 N SER A 5 1.197 5.848 -34.546 1.00 0.00 N ATOM 40 CA SER A 5 2.234 4.856 -34.807 1.00 0.00 C ATOM 41 C SER A 5 2.133 3.694 -33.823 1.00 0.00 C ATOM 42 O SER A 5 3.130 3.284 -33.226 1.00 0.00 O ATOM 43 CB SER A 5 3.619 5.501 -34.718 1.00 0.00 C ATOM 44 OG SER A 5 3.642 6.753 -35.381 1.00 0.00 O ATOM 0 H SER A 5 0.863 5.865 -33.583 1.00 0.00 H new ATOM 0 HA SER A 5 2.088 4.467 -35.815 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.895 5.635 -33.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.362 4.838 -35.161 1.00 0.00 H new ATOM 0 HG SER A 5 4.537 7.145 -35.308 1.00 0.00 H new ATOM 50 N SER A 6 0.925 3.167 -33.659 1.00 0.00 N ATOM 51 CA SER A 6 0.693 2.052 -32.748 1.00 0.00 C ATOM 52 C SER A 6 1.050 2.435 -31.315 1.00 0.00 C ATOM 53 O SER A 6 1.822 3.365 -31.085 1.00 0.00 O ATOM 54 CB SER A 6 1.510 0.832 -33.184 1.00 0.00 C ATOM 55 OG SER A 6 0.702 -0.331 -33.236 1.00 0.00 O ATOM 0 H SER A 6 0.090 3.494 -34.145 1.00 0.00 H new ATOM 0 HA SER A 6 -0.367 1.801 -32.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.950 1.017 -34.164 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.334 0.675 -32.488 1.00 0.00 H new ATOM 0 HG SER A 6 1.247 -1.095 -33.518 1.00 0.00 H new ATOM 61 N GLY A 7 0.481 1.713 -30.355 1.00 0.00 N ATOM 62 CA GLY A 7 0.752 1.993 -28.957 1.00 0.00 C ATOM 63 C GLY A 7 1.589 0.913 -28.302 1.00 0.00 C ATOM 64 O GLY A 7 1.761 -0.172 -28.858 1.00 0.00 O ATOM 0 H GLY A 7 -0.163 0.939 -30.520 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.269 2.949 -28.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.191 2.093 -28.420 1.00 0.00 H new ATOM 68 N GLN A 8 2.111 1.208 -27.115 1.00 0.00 N ATOM 69 CA GLN A 8 2.936 0.253 -26.384 1.00 0.00 C ATOM 70 C GLN A 8 2.070 -0.769 -25.655 1.00 0.00 C ATOM 71 O GLN A 8 1.034 -0.426 -25.086 1.00 0.00 O ATOM 72 CB GLN A 8 3.835 0.982 -25.384 1.00 0.00 C ATOM 73 CG GLN A 8 4.992 0.138 -24.879 1.00 0.00 C ATOM 74 CD GLN A 8 5.278 0.359 -23.406 1.00 0.00 C ATOM 75 OE1 GLN A 8 6.322 0.897 -23.039 1.00 0.00 O ATOM 76 NE2 GLN A 8 4.347 -0.053 -22.554 1.00 0.00 N ATOM 0 H GLN A 8 1.977 2.100 -26.640 1.00 0.00 H new ATOM 0 HA GLN A 8 3.560 -0.275 -27.105 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.231 1.883 -25.853 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.233 1.304 -24.534 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.769 -0.915 -25.048 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.886 0.371 -25.458 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.496 -0.494 -22.903 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.483 0.072 -21.551 1.00 0.00 H new ATOM 85 N ALA A 9 2.502 -2.026 -25.676 1.00 0.00 N ATOM 86 CA ALA A 9 1.767 -3.098 -25.016 1.00 0.00 C ATOM 87 C ALA A 9 2.629 -3.787 -23.965 1.00 0.00 C ATOM 88 O ALA A 9 3.542 -4.546 -24.296 1.00 0.00 O ATOM 89 CB ALA A 9 1.273 -4.107 -26.041 1.00 0.00 C ATOM 0 H ALA A 9 3.357 -2.327 -26.143 1.00 0.00 H new ATOM 0 HA ALA A 9 0.907 -2.659 -24.511 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.726 -4.902 -25.534 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.614 -3.610 -26.753 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.124 -4.533 -26.571 1.00 0.00 H new ATOM 95 N LEU A 10 2.338 -3.519 -22.697 1.00 0.00 N ATOM 96 CA LEU A 10 3.087 -4.114 -21.598 1.00 0.00 C ATOM 97 C LEU A 10 2.148 -4.592 -20.495 1.00 0.00 C ATOM 98 O LEU A 10 1.584 -3.787 -19.752 1.00 0.00 O ATOM 99 CB LEU A 10 4.090 -3.104 -21.032 1.00 0.00 C ATOM 100 CG LEU A 10 5.509 -3.641 -20.840 1.00 0.00 C ATOM 101 CD1 LEU A 10 6.273 -3.613 -22.154 1.00 0.00 C ATOM 102 CD2 LEU A 10 6.242 -2.835 -19.777 1.00 0.00 C ATOM 0 H LEU A 10 1.588 -2.893 -22.405 1.00 0.00 H new ATOM 0 HA LEU A 10 3.630 -4.976 -21.985 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.131 -2.243 -21.699 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.720 -2.746 -20.071 1.00 0.00 H new ATOM 0 HG LEU A 10 5.444 -4.676 -20.504 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.280 -3.999 -21.997 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.757 -4.232 -22.888 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.330 -2.588 -22.520 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.250 -3.230 -19.652 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.297 -1.791 -20.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.705 -2.906 -18.831 1.00 0.00 H new ATOM 114 N ALA A 11 1.982 -5.907 -20.394 1.00 0.00 N ATOM 115 CA ALA A 11 1.110 -6.492 -19.383 1.00 0.00 C ATOM 116 C ALA A 11 1.916 -7.025 -18.204 1.00 0.00 C ATOM 117 O ALA A 11 1.582 -6.775 -17.046 1.00 0.00 O ATOM 118 CB ALA A 11 0.268 -7.603 -19.993 1.00 0.00 C ATOM 0 H ALA A 11 2.440 -6.587 -21.000 1.00 0.00 H new ATOM 0 HA ALA A 11 0.448 -5.709 -19.013 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.379 -8.032 -19.227 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.343 -7.196 -20.798 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.922 -8.379 -20.391 1.00 0.00 H new ATOM 124 N SER A 12 2.980 -7.762 -18.506 1.00 0.00 N ATOM 125 CA SER A 12 3.836 -8.331 -17.471 1.00 0.00 C ATOM 126 C SER A 12 5.201 -7.651 -17.458 1.00 0.00 C ATOM 127 O SER A 12 5.931 -7.685 -18.448 1.00 0.00 O ATOM 128 CB SER A 12 4.004 -9.835 -17.689 1.00 0.00 C ATOM 129 OG SER A 12 4.166 -10.137 -19.065 1.00 0.00 O ATOM 0 H SER A 12 3.270 -7.979 -19.459 1.00 0.00 H new ATOM 0 HA SER A 12 3.358 -8.162 -16.506 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.870 -10.192 -17.131 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.133 -10.362 -17.298 1.00 0.00 H new ATOM 0 HG SER A 12 4.777 -9.488 -19.473 1.00 0.00 H new ATOM 135 N ASP A 13 5.540 -7.037 -16.330 1.00 0.00 N ATOM 136 CA ASP A 13 6.820 -6.351 -16.189 1.00 0.00 C ATOM 137 C ASP A 13 7.929 -7.336 -15.837 1.00 0.00 C ATOM 138 O ASP A 13 8.945 -7.414 -16.527 1.00 0.00 O ATOM 139 CB ASP A 13 6.724 -5.266 -15.114 1.00 0.00 C ATOM 140 CG ASP A 13 7.843 -4.248 -15.218 1.00 0.00 C ATOM 141 OD1 ASP A 13 8.995 -4.656 -15.476 1.00 0.00 O ATOM 142 OD2 ASP A 13 7.566 -3.042 -15.046 1.00 0.00 O ATOM 0 H ASP A 13 4.947 -7.000 -15.501 1.00 0.00 H new ATOM 0 HA ASP A 13 7.063 -5.886 -17.144 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.764 -4.757 -15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.750 -5.731 -14.129 1.00 0.00 H new ATOM 147 N SER A 14 7.728 -8.085 -14.758 1.00 0.00 N ATOM 148 CA SER A 14 8.712 -9.066 -14.315 1.00 0.00 C ATOM 149 C SER A 14 8.197 -9.848 -13.111 1.00 0.00 C ATOM 150 O SER A 14 8.152 -9.329 -11.995 1.00 0.00 O ATOM 151 CB SER A 14 10.030 -8.374 -13.962 1.00 0.00 C ATOM 152 OG SER A 14 10.847 -8.218 -15.109 1.00 0.00 O ATOM 0 H SER A 14 6.893 -8.032 -14.174 1.00 0.00 H new ATOM 0 HA SER A 14 8.884 -9.765 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.825 -7.398 -13.522 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.561 -8.958 -13.210 1.00 0.00 H new ATOM 0 HG SER A 14 10.440 -7.563 -15.714 1.00 0.00 H new ATOM 158 N GLU A 15 7.811 -11.098 -13.345 1.00 0.00 N ATOM 159 CA GLU A 15 7.299 -11.954 -12.280 1.00 0.00 C ATOM 160 C GLU A 15 5.998 -11.395 -11.710 1.00 0.00 C ATOM 161 O GLU A 15 5.896 -10.201 -11.427 1.00 0.00 O ATOM 162 CB GLU A 15 8.341 -12.102 -11.167 1.00 0.00 C ATOM 163 CG GLU A 15 8.839 -13.527 -10.987 1.00 0.00 C ATOM 164 CD GLU A 15 10.162 -13.592 -10.248 1.00 0.00 C ATOM 165 OE1 GLU A 15 10.383 -12.751 -9.352 1.00 0.00 O ATOM 166 OE2 GLU A 15 10.976 -14.484 -10.566 1.00 0.00 O ATOM 0 H GLU A 15 7.843 -11.541 -14.263 1.00 0.00 H new ATOM 0 HA GLU A 15 7.094 -12.937 -12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.190 -11.454 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.910 -11.755 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.092 -14.103 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.949 -13.996 -11.965 1.00 0.00 H new ATOM 173 N GLU A 16 5.008 -12.265 -11.544 1.00 0.00 N ATOM 174 CA GLU A 16 3.714 -11.858 -11.008 1.00 0.00 C ATOM 175 C GLU A 16 3.400 -12.608 -9.717 1.00 0.00 C ATOM 176 O GLU A 16 2.991 -13.769 -9.746 1.00 0.00 O ATOM 177 CB GLU A 16 2.611 -12.106 -12.039 1.00 0.00 C ATOM 178 CG GLU A 16 1.571 -10.998 -12.095 1.00 0.00 C ATOM 179 CD GLU A 16 1.549 -10.284 -13.434 1.00 0.00 C ATOM 180 OE1 GLU A 16 1.303 -10.954 -14.460 1.00 0.00 O ATOM 181 OE2 GLU A 16 1.779 -9.058 -13.456 1.00 0.00 O ATOM 0 H GLU A 16 5.077 -13.257 -11.773 1.00 0.00 H new ATOM 0 HA GLU A 16 3.759 -10.792 -10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.064 -12.218 -13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.114 -13.048 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.586 -11.420 -11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.774 -10.275 -11.305 1.00 0.00 H new ATOM 188 N ALA A 17 3.594 -11.938 -8.586 1.00 0.00 N ATOM 189 CA ALA A 17 3.331 -12.541 -7.286 1.00 0.00 C ATOM 190 C ALA A 17 3.035 -11.476 -6.237 1.00 0.00 C ATOM 191 O ALA A 17 3.180 -10.280 -6.493 1.00 0.00 O ATOM 192 CB ALA A 17 4.512 -13.396 -6.853 1.00 0.00 C ATOM 0 H ALA A 17 3.933 -10.977 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 17 2.450 -13.177 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.302 -13.840 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.677 -14.186 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.405 -12.775 -6.783 1.00 0.00 H new ATOM 198 N ASP A 18 2.621 -11.917 -5.053 1.00 0.00 N ATOM 199 CA ASP A 18 2.305 -11.001 -3.962 1.00 0.00 C ATOM 200 C ASP A 18 3.305 -11.151 -2.820 1.00 0.00 C ATOM 201 O ASP A 18 3.062 -11.885 -1.862 1.00 0.00 O ATOM 202 CB ASP A 18 0.886 -11.255 -3.451 1.00 0.00 C ATOM 203 CG ASP A 18 -0.130 -10.321 -4.080 1.00 0.00 C ATOM 204 OD1 ASP A 18 -0.388 -10.455 -5.295 1.00 0.00 O ATOM 205 OD2 ASP A 18 -0.668 -9.456 -3.357 1.00 0.00 O ATOM 0 H ASP A 18 2.496 -12.903 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 18 2.369 -9.982 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.606 -12.287 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.865 -11.134 -2.368 1.00 0.00 H new ATOM 210 N GLU A 19 4.429 -10.452 -2.929 1.00 0.00 N ATOM 211 CA GLU A 19 5.467 -10.507 -1.907 1.00 0.00 C ATOM 212 C GLU A 19 5.365 -9.313 -0.963 1.00 0.00 C ATOM 213 O GLU A 19 5.154 -8.181 -1.399 1.00 0.00 O ATOM 214 CB GLU A 19 6.852 -10.543 -2.556 1.00 0.00 C ATOM 215 CG GLU A 19 7.014 -11.651 -3.582 1.00 0.00 C ATOM 216 CD GLU A 19 8.244 -12.503 -3.335 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.650 -12.632 -2.160 1.00 0.00 O ATOM 218 OE2 GLU A 19 8.802 -13.039 -4.315 1.00 0.00 O ATOM 0 H GLU A 19 4.645 -9.840 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 19 5.322 -11.419 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.044 -9.584 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.605 -10.667 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.128 -12.286 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.075 -11.212 -4.578 1.00 0.00 H new ATOM 225 N VAL A 20 5.516 -9.573 0.332 1.00 0.00 N ATOM 226 CA VAL A 20 5.442 -8.520 1.336 1.00 0.00 C ATOM 227 C VAL A 20 6.826 -8.197 1.897 1.00 0.00 C ATOM 228 O VAL A 20 7.339 -8.918 2.754 1.00 0.00 O ATOM 229 CB VAL A 20 4.512 -8.918 2.498 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.292 -7.739 3.434 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.186 -9.441 1.966 1.00 0.00 C ATOM 0 H VAL A 20 5.690 -10.504 0.710 1.00 0.00 H new ATOM 0 HA VAL A 20 5.037 -7.638 0.840 1.00 0.00 H new ATOM 0 HB VAL A 20 4.990 -9.717 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.633 -8.039 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.249 -7.415 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.836 -6.917 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.542 -9.717 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.700 -8.665 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.364 -10.316 1.341 1.00 0.00 H new ATOM 241 N PRO A 21 7.453 -7.106 1.423 1.00 0.00 N ATOM 242 CA PRO A 21 8.784 -6.696 1.886 1.00 0.00 C ATOM 243 C PRO A 21 8.873 -6.625 3.407 1.00 0.00 C ATOM 244 O PRO A 21 7.904 -6.914 4.109 1.00 0.00 O ATOM 245 CB PRO A 21 8.960 -5.306 1.275 1.00 0.00 C ATOM 246 CG PRO A 21 8.096 -5.313 0.063 1.00 0.00 C ATOM 247 CD PRO A 21 6.917 -6.186 0.400 1.00 0.00 C ATOM 0 HA PRO A 21 9.555 -7.407 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.657 -4.526 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.002 -5.116 1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.774 -4.304 -0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.637 -5.703 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.081 -5.601 0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.554 -6.726 -0.475 1.00 0.00 H new ATOM 255 N GLU A 22 10.041 -6.242 3.910 1.00 0.00 N ATOM 256 CA GLU A 22 10.257 -6.135 5.348 1.00 0.00 C ATOM 257 C GLU A 22 10.087 -4.695 5.825 1.00 0.00 C ATOM 258 O GLU A 22 10.658 -4.298 6.841 1.00 0.00 O ATOM 259 CB GLU A 22 11.651 -6.644 5.715 1.00 0.00 C ATOM 260 CG GLU A 22 11.778 -7.074 7.167 1.00 0.00 C ATOM 261 CD GLU A 22 12.491 -8.402 7.323 1.00 0.00 C ATOM 262 OE1 GLU A 22 11.831 -9.451 7.176 1.00 0.00 O ATOM 263 OE2 GLU A 22 13.712 -8.393 7.592 1.00 0.00 O ATOM 0 H GLU A 22 10.854 -6.000 3.343 1.00 0.00 H new ATOM 0 HA GLU A 22 9.508 -6.751 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.902 -7.487 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.380 -5.860 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.319 -6.308 7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.784 -7.146 7.609 1.00 0.00 H new ATOM 270 N TRP A 23 9.299 -3.918 5.089 1.00 0.00 N ATOM 271 CA TRP A 23 9.056 -2.524 5.444 1.00 0.00 C ATOM 272 C TRP A 23 7.572 -2.183 5.341 1.00 0.00 C ATOM 273 O TRP A 23 7.030 -1.473 6.187 1.00 0.00 O ATOM 274 CB TRP A 23 9.870 -1.593 4.541 1.00 0.00 C ATOM 275 CG TRP A 23 9.757 -1.925 3.084 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.625 -2.676 2.346 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.718 -1.513 2.189 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.189 -2.757 1.045 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.020 -2.052 0.923 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.560 -0.743 2.333 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.208 -1.844 -0.188 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.755 -0.537 1.229 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.082 -1.086 -0.018 1.00 0.00 C ATOM 0 H TRP A 23 8.819 -4.229 4.245 1.00 0.00 H new ATOM 0 HA TRP A 23 9.371 -2.382 6.478 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.539 -0.566 4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.918 -1.639 4.836 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.523 -3.139 2.728 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.659 -3.260 0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.299 -0.317 3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.458 -2.266 -1.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.859 0.057 1.329 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.432 -0.907 -0.862 1.00 0.00 H new ATOM 294 N LEU A 24 6.920 -2.693 4.300 1.00 0.00 N ATOM 295 CA LEU A 24 5.499 -2.442 4.087 1.00 0.00 C ATOM 296 C LEU A 24 4.683 -2.830 5.317 1.00 0.00 C ATOM 297 O LEU A 24 4.583 -4.007 5.661 1.00 0.00 O ATOM 298 CB LEU A 24 5.001 -3.220 2.866 1.00 0.00 C ATOM 299 CG LEU A 24 3.629 -2.794 2.341 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.688 -1.382 1.780 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.137 -3.771 1.285 1.00 0.00 C ATOM 0 H LEU A 24 7.354 -3.283 3.590 1.00 0.00 H new ATOM 0 HA LEU A 24 5.368 -1.374 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.730 -3.111 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.963 -4.279 3.120 1.00 0.00 H new ATOM 0 HG LEU A 24 2.923 -2.803 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.703 -1.096 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.996 -0.691 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.407 -1.345 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.160 -3.453 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.842 -3.795 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.056 -4.767 1.720 1.00 0.00 H new ATOM 313 N ARG A 25 4.103 -1.832 5.975 1.00 0.00 N ATOM 314 CA ARG A 25 3.298 -2.067 7.167 1.00 0.00 C ATOM 315 C ARG A 25 2.382 -0.881 7.449 1.00 0.00 C ATOM 316 O ARG A 25 2.602 0.219 6.943 1.00 0.00 O ATOM 317 CB ARG A 25 4.200 -2.327 8.374 1.00 0.00 C ATOM 318 CG ARG A 25 5.171 -1.193 8.661 1.00 0.00 C ATOM 319 CD ARG A 25 4.601 -0.217 9.678 1.00 0.00 C ATOM 320 NE ARG A 25 4.900 -0.620 11.050 1.00 0.00 N ATOM 321 CZ ARG A 25 6.079 -0.431 11.638 1.00 0.00 C ATOM 322 NH1 ARG A 25 7.072 0.152 10.977 1.00 0.00 N ATOM 323 NH2 ARG A 25 6.266 -0.826 12.890 1.00 0.00 N ATOM 0 H ARG A 25 4.176 -0.852 5.702 1.00 0.00 H new ATOM 0 HA ARG A 25 2.679 -2.946 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.578 -2.493 9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.764 -3.244 8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.110 -1.602 9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.399 -0.664 7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.009 0.777 9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.521 -0.147 9.548 1.00 0.00 H new ATOM 0 HE ARG A 25 4.162 -1.073 11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.933 0.458 10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.973 0.294 11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.506 -1.275 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.169 -0.681 13.341 1.00 0.00 H new ATOM 337 N GLU A 26 1.355 -1.112 8.260 1.00 0.00 N ATOM 338 CA GLU A 26 0.407 -0.061 8.610 1.00 0.00 C ATOM 339 C GLU A 26 1.111 1.096 9.313 1.00 0.00 C ATOM 340 O GLU A 26 1.735 0.912 10.358 1.00 0.00 O ATOM 341 CB GLU A 26 -0.700 -0.620 9.506 1.00 0.00 C ATOM 342 CG GLU A 26 -1.470 -1.769 8.877 1.00 0.00 C ATOM 343 CD GLU A 26 -2.092 -2.689 9.910 1.00 0.00 C ATOM 344 OE1 GLU A 26 -1.454 -2.922 10.958 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.217 -3.176 9.669 1.00 0.00 O ATOM 0 H GLU A 26 1.158 -2.017 8.687 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.037 0.314 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.260 -0.959 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.396 0.182 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.254 -1.368 8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.799 -2.345 8.240 1.00 0.00 H new ATOM 352 N GLY A 27 1.006 2.286 8.731 1.00 0.00 N ATOM 353 CA GLY A 27 1.637 3.455 9.316 1.00 0.00 C ATOM 354 C GLY A 27 3.007 3.731 8.727 1.00 0.00 C ATOM 355 O GLY A 27 3.852 4.354 9.370 1.00 0.00 O ATOM 0 H GLY A 27 0.496 2.462 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.997 4.324 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.730 3.313 10.393 1.00 0.00 H new ATOM 359 N GLU A 28 3.229 3.267 7.500 1.00 0.00 N ATOM 360 CA GLU A 28 4.505 3.468 6.826 1.00 0.00 C ATOM 361 C GLU A 28 4.315 4.233 5.520 1.00 0.00 C ATOM 362 O GLU A 28 3.648 3.757 4.601 1.00 0.00 O ATOM 363 CB GLU A 28 5.176 2.122 6.547 1.00 0.00 C ATOM 364 CG GLU A 28 6.694 2.196 6.506 1.00 0.00 C ATOM 365 CD GLU A 28 7.303 2.429 7.875 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.103 3.528 8.434 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.981 1.513 8.387 1.00 0.00 O ATOM 0 H GLU A 28 2.541 2.749 6.954 1.00 0.00 H new ATOM 0 HA GLU A 28 5.145 4.057 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.876 1.410 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.813 1.735 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.088 1.269 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.997 3.000 5.836 1.00 0.00 H new ATOM 374 N PHE A 29 4.903 5.423 5.446 1.00 0.00 N ATOM 375 CA PHE A 29 4.797 6.255 4.253 1.00 0.00 C ATOM 376 C PHE A 29 5.370 5.536 3.035 1.00 0.00 C ATOM 377 O PHE A 29 6.501 5.050 3.064 1.00 0.00 O ATOM 378 CB PHE A 29 5.527 7.583 4.466 1.00 0.00 C ATOM 379 CG PHE A 29 4.653 8.662 5.040 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.754 9.343 4.235 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.732 8.995 6.383 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.949 10.337 4.761 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.929 9.987 6.913 1.00 0.00 C ATOM 384 CZ PHE A 29 3.036 10.659 6.101 1.00 0.00 C ATOM 0 H PHE A 29 5.458 5.832 6.198 1.00 0.00 H new ATOM 0 HA PHE A 29 3.741 6.454 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.374 7.420 5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.932 7.923 3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.681 9.095 3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.429 8.473 7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.252 10.861 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.000 10.237 7.961 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.407 11.434 6.513 1.00 0.00 H new ATOM 394 N VAL A 30 4.583 5.474 1.967 1.00 0.00 N ATOM 395 CA VAL A 30 5.011 4.816 0.739 1.00 0.00 C ATOM 396 C VAL A 30 4.548 5.590 -0.490 1.00 0.00 C ATOM 397 O VAL A 30 3.809 6.568 -0.378 1.00 0.00 O ATOM 398 CB VAL A 30 4.473 3.376 0.656 1.00 0.00 C ATOM 399 CG1 VAL A 30 5.081 2.514 1.753 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.954 3.367 0.740 1.00 0.00 C ATOM 0 H VAL A 30 3.645 5.872 1.927 1.00 0.00 H new ATOM 0 HA VAL A 30 6.100 4.789 0.759 1.00 0.00 H new ATOM 0 HB VAL A 30 4.762 2.955 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.689 1.500 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.165 2.493 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.825 2.931 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.592 2.341 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.639 3.808 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.541 3.947 -0.085 1.00 0.00 H new ATOM 410 N THR A 31 4.986 5.146 -1.663 1.00 0.00 N ATOM 411 CA THR A 31 4.616 5.797 -2.916 1.00 0.00 C ATOM 412 C THR A 31 3.844 4.841 -3.818 1.00 0.00 C ATOM 413 O THR A 31 3.972 3.622 -3.702 1.00 0.00 O ATOM 414 CB THR A 31 5.865 6.304 -3.639 1.00 0.00 C ATOM 415 OG1 THR A 31 5.511 7.001 -4.821 1.00 0.00 O ATOM 416 CG2 THR A 31 6.823 5.199 -4.027 1.00 0.00 C ATOM 0 H THR A 31 5.598 4.338 -1.773 1.00 0.00 H new ATOM 0 HA THR A 31 3.972 6.644 -2.681 1.00 0.00 H new ATOM 0 HB THR A 31 6.364 6.961 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.323 7.319 -5.269 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.686 5.628 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.154 4.673 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.320 4.499 -4.694 1.00 0.00 H new ATOM 424 N VAL A 32 3.043 5.402 -4.719 1.00 0.00 N ATOM 425 CA VAL A 32 2.250 4.599 -5.642 1.00 0.00 C ATOM 426 C VAL A 32 2.802 4.688 -7.060 1.00 0.00 C ATOM 427 O VAL A 32 2.760 3.716 -7.815 1.00 0.00 O ATOM 428 CB VAL A 32 0.776 5.044 -5.649 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.071 4.075 -6.459 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.248 5.167 -4.228 1.00 0.00 C ATOM 0 H VAL A 32 2.926 6.409 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 32 2.309 3.567 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 32 0.714 6.025 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.109 4.406 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.293 4.044 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.005 3.079 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.795 5.482 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.323 4.202 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.837 5.905 -3.684 1.00 0.00 H new ATOM 440 N GLY A 33 3.319 5.860 -7.417 1.00 0.00 N ATOM 441 CA GLY A 33 3.870 6.053 -8.745 1.00 0.00 C ATOM 442 C GLY A 33 4.209 7.503 -9.027 1.00 0.00 C ATOM 443 O GLY A 33 5.032 8.102 -8.334 1.00 0.00 O ATOM 0 H GLY A 33 3.366 6.679 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.768 5.445 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.154 5.700 -9.487 1.00 0.00 H new ATOM 447 N ALA A 34 3.574 8.068 -10.048 1.00 0.00 N ATOM 448 CA ALA A 34 3.811 9.458 -10.422 1.00 0.00 C ATOM 449 C ALA A 34 2.552 10.298 -10.239 1.00 0.00 C ATOM 450 O ALA A 34 2.007 10.840 -11.202 1.00 0.00 O ATOM 451 CB ALA A 34 4.301 9.539 -11.860 1.00 0.00 C ATOM 0 H ALA A 34 2.891 7.585 -10.632 1.00 0.00 H new ATOM 0 HA ALA A 34 4.581 9.861 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.474 10.581 -12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.231 8.979 -11.960 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.549 9.114 -12.525 1.00 0.00 H new ATOM 457 N HIS A 35 2.093 10.403 -8.997 1.00 0.00 N ATOM 458 CA HIS A 35 0.898 11.178 -8.686 1.00 0.00 C ATOM 459 C HIS A 35 0.956 11.719 -7.260 1.00 0.00 C ATOM 460 O HIS A 35 1.177 12.911 -7.046 1.00 0.00 O ATOM 461 CB HIS A 35 -0.354 10.317 -8.865 1.00 0.00 C ATOM 462 CG HIS A 35 -0.862 10.290 -10.273 1.00 0.00 C ATOM 463 ND1 HIS A 35 -0.899 11.392 -11.098 1.00 0.00 N ATOM 464 CD2 HIS A 35 -1.360 9.259 -11.003 1.00 0.00 C ATOM 465 CE1 HIS A 35 -1.407 11.006 -12.276 1.00 0.00 C ATOM 466 NE2 HIS A 35 -1.703 9.720 -12.271 1.00 0.00 N ATOM 0 H HIS A 35 2.531 9.961 -8.189 1.00 0.00 H new ATOM 0 HA HIS A 35 0.853 12.022 -9.375 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.133 9.298 -8.547 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.140 10.692 -8.210 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.472 8.243 -10.655 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.555 11.663 -13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.101 9.177 -13.037 1.00 0.00 H new ATOM 474 N LYS A 36 0.759 10.833 -6.290 1.00 0.00 N ATOM 475 CA LYS A 36 0.788 11.220 -4.884 1.00 0.00 C ATOM 476 C LYS A 36 1.083 10.018 -3.994 1.00 0.00 C ATOM 477 O LYS A 36 0.771 8.881 -4.348 1.00 0.00 O ATOM 478 CB LYS A 36 -0.544 11.854 -4.480 1.00 0.00 C ATOM 479 CG LYS A 36 -1.745 10.954 -4.727 1.00 0.00 C ATOM 480 CD LYS A 36 -2.794 11.641 -5.587 1.00 0.00 C ATOM 481 CE LYS A 36 -3.426 10.674 -6.574 1.00 0.00 C ATOM 482 NZ LYS A 36 -3.721 11.326 -7.880 1.00 0.00 N ATOM 0 H LYS A 36 0.578 9.842 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 36 1.585 11.951 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.507 12.115 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.677 12.784 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.418 10.036 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.187 10.667 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.567 12.067 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.336 12.468 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.756 9.829 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.348 10.275 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.875 10.597 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.576 11.911 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.918 11.926 -8.158 1.00 0.00 H new ATOM 496 N THR A 37 1.686 10.276 -2.839 1.00 0.00 N ATOM 497 CA THR A 37 2.022 9.213 -1.899 1.00 0.00 C ATOM 498 C THR A 37 0.882 8.979 -0.914 1.00 0.00 C ATOM 499 O THR A 37 0.014 9.834 -0.739 1.00 0.00 O ATOM 500 CB THR A 37 3.303 9.563 -1.139 1.00 0.00 C ATOM 501 OG1 THR A 37 3.163 10.797 -0.459 1.00 0.00 O ATOM 502 CG2 THR A 37 4.520 9.668 -2.033 1.00 0.00 C ATOM 0 H THR A 37 1.952 11.211 -2.531 1.00 0.00 H new ATOM 0 HA THR A 37 2.183 8.296 -2.467 1.00 0.00 H new ATOM 0 HB THR A 37 3.455 8.742 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.992 11.001 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.393 9.918 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.686 8.715 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.358 10.447 -2.778 1.00 0.00 H new ATOM 510 N GLY A 38 0.890 7.814 -0.273 1.00 0.00 N ATOM 511 CA GLY A 38 -0.148 7.489 0.686 1.00 0.00 C ATOM 512 C GLY A 38 0.322 6.506 1.741 1.00 0.00 C ATOM 513 O GLY A 38 0.979 5.514 1.426 1.00 0.00 O ATOM 0 H GLY A 38 1.597 7.090 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.488 8.403 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.006 7.070 0.160 1.00 0.00 H new ATOM 517 N VAL A 39 -0.014 6.784 2.996 1.00 0.00 N ATOM 518 CA VAL A 39 0.378 5.919 4.102 1.00 0.00 C ATOM 519 C VAL A 39 -0.448 4.637 4.116 1.00 0.00 C ATOM 520 O VAL A 39 -1.589 4.616 3.653 1.00 0.00 O ATOM 521 CB VAL A 39 0.218 6.632 5.458 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.815 5.794 6.578 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.858 8.012 5.414 1.00 0.00 C ATOM 0 H VAL A 39 -0.557 7.602 3.273 1.00 0.00 H new ATOM 0 HA VAL A 39 1.429 5.671 3.952 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.846 6.756 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.692 6.315 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.306 4.831 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.876 5.634 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.735 8.501 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.920 7.914 5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.378 8.611 4.641 1.00 0.00 H new ATOM 533 N VAL A 40 0.137 3.569 4.648 1.00 0.00 N ATOM 534 CA VAL A 40 -0.545 2.282 4.721 1.00 0.00 C ATOM 535 C VAL A 40 -1.442 2.204 5.953 1.00 0.00 C ATOM 536 O VAL A 40 -0.989 2.426 7.076 1.00 0.00 O ATOM 537 CB VAL A 40 0.459 1.114 4.757 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.265 -0.218 4.628 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.500 1.272 3.660 1.00 0.00 C ATOM 0 H VAL A 40 1.081 3.569 5.035 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.157 2.198 3.823 1.00 0.00 H new ATOM 0 HB VAL A 40 0.972 1.130 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.461 -1.031 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.968 -0.331 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.807 -0.247 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.201 0.438 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.006 1.284 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.041 2.208 3.803 1.00 0.00 H new ATOM 549 N ARG A 41 -2.714 1.888 5.734 1.00 0.00 N ATOM 550 CA ARG A 41 -3.674 1.781 6.827 1.00 0.00 C ATOM 551 C ARG A 41 -4.095 0.330 7.040 1.00 0.00 C ATOM 552 O ARG A 41 -4.330 -0.098 8.170 1.00 0.00 O ATOM 553 CB ARG A 41 -4.904 2.644 6.538 1.00 0.00 C ATOM 554 CG ARG A 41 -4.565 4.050 6.070 1.00 0.00 C ATOM 555 CD ARG A 41 -3.813 4.830 7.138 1.00 0.00 C ATOM 556 NE ARG A 41 -4.719 5.545 8.035 1.00 0.00 N ATOM 557 CZ ARG A 41 -5.237 5.024 9.145 1.00 0.00 C ATOM 558 NH1 ARG A 41 -4.941 3.781 9.509 1.00 0.00 N ATOM 559 NH2 ARG A 41 -6.052 5.748 9.898 1.00 0.00 N ATOM 0 H ARG A 41 -3.104 1.702 4.810 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.193 2.139 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.511 2.153 5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.513 2.707 7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.961 3.997 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.482 4.579 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.194 4.146 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.140 5.542 6.660 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.970 6.504 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.312 3.218 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.342 3.390 10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.282 6.704 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.449 5.349 10.749 1.00 0.00 H new ATOM 573 N TYR A 42 -4.190 -0.419 5.947 1.00 0.00 N ATOM 574 CA TYR A 42 -4.583 -1.822 6.014 1.00 0.00 C ATOM 575 C TYR A 42 -3.573 -2.706 5.290 1.00 0.00 C ATOM 576 O TYR A 42 -3.058 -2.340 4.234 1.00 0.00 O ATOM 577 CB TYR A 42 -5.973 -2.011 5.405 1.00 0.00 C ATOM 578 CG TYR A 42 -6.644 -3.304 5.811 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.317 -3.409 7.021 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.604 -4.419 4.983 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.932 -4.589 7.396 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.217 -5.603 5.350 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.879 -5.682 6.557 1.00 0.00 C ATOM 584 OH TYR A 42 -8.489 -6.858 6.927 1.00 0.00 O ATOM 0 H TYR A 42 -4.000 -0.078 5.004 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.609 -2.117 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.606 -1.175 5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.891 -1.980 4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.361 -2.555 7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.086 -4.360 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.451 -4.654 8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.177 -6.461 4.695 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.359 -7.529 6.224 1.00 0.00 H new ATOM 594 N VAL A 43 -3.297 -3.873 5.864 1.00 0.00 N ATOM 595 CA VAL A 43 -2.350 -4.809 5.273 1.00 0.00 C ATOM 596 C VAL A 43 -2.800 -6.251 5.482 1.00 0.00 C ATOM 597 O VAL A 43 -2.655 -6.805 6.571 1.00 0.00 O ATOM 598 CB VAL A 43 -0.939 -4.633 5.867 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.072 -5.473 5.101 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.537 -3.167 5.862 1.00 0.00 C ATOM 0 H VAL A 43 -3.716 -4.192 6.737 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.316 -4.592 4.205 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.954 -4.978 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.062 -5.336 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.208 -6.525 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.087 -5.161 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.462 -3.062 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.539 -2.793 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.246 -2.593 6.459 1.00 0.00 H new ATOM 610 N GLY A 44 -3.346 -6.853 4.430 1.00 0.00 N ATOM 611 CA GLY A 44 -3.809 -8.226 4.520 1.00 0.00 C ATOM 612 C GLY A 44 -4.578 -8.660 3.286 1.00 0.00 C ATOM 613 O GLY A 44 -4.802 -7.858 2.380 1.00 0.00 O ATOM 0 H GLY A 44 -3.476 -6.415 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.954 -8.886 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.445 -8.335 5.398 1.00 0.00 H new ATOM 617 N PRO A 45 -5.001 -9.934 3.223 1.00 0.00 N ATOM 618 CA PRO A 45 -5.753 -10.460 2.080 1.00 0.00 C ATOM 619 C PRO A 45 -7.164 -9.886 2.000 1.00 0.00 C ATOM 620 O PRO A 45 -7.649 -9.271 2.950 1.00 0.00 O ATOM 621 CB PRO A 45 -5.803 -11.966 2.348 1.00 0.00 C ATOM 622 CG PRO A 45 -5.670 -12.091 3.826 1.00 0.00 C ATOM 623 CD PRO A 45 -4.779 -10.961 4.259 1.00 0.00 C ATOM 0 HA PRO A 45 -5.285 -10.198 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.739 -12.400 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.996 -12.487 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.644 -12.028 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.239 -13.054 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.046 -10.596 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.734 -11.268 4.303 1.00 0.00 H new ATOM 631 N ALA A 46 -7.817 -10.090 0.861 1.00 0.00 N ATOM 632 CA ALA A 46 -9.172 -9.593 0.659 1.00 0.00 C ATOM 633 C ALA A 46 -10.194 -10.718 0.781 1.00 0.00 C ATOM 634 O ALA A 46 -9.849 -11.848 1.128 1.00 0.00 O ATOM 635 CB ALA A 46 -9.287 -8.916 -0.700 1.00 0.00 C ATOM 0 H ALA A 46 -7.430 -10.596 0.064 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.385 -8.860 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.304 -8.549 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.590 -8.080 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.050 -9.634 -1.485 1.00 0.00 H new ATOM 641 N ASP A 47 -11.452 -10.401 0.494 1.00 0.00 N ATOM 642 CA ASP A 47 -12.525 -11.386 0.572 1.00 0.00 C ATOM 643 C ASP A 47 -13.036 -11.746 -0.821 1.00 0.00 C ATOM 644 O ASP A 47 -14.205 -12.084 -0.997 1.00 0.00 O ATOM 645 CB ASP A 47 -13.674 -10.851 1.431 1.00 0.00 C ATOM 646 CG ASP A 47 -13.755 -11.539 2.780 1.00 0.00 C ATOM 647 OD1 ASP A 47 -14.321 -12.649 2.848 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.249 -10.967 3.769 1.00 0.00 O ATOM 0 H ASP A 47 -11.754 -9.470 0.205 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.125 -12.288 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.544 -9.779 1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.616 -10.987 0.899 1.00 0.00 H new ATOM 653 N PHE A 48 -12.147 -11.672 -1.808 1.00 0.00 N ATOM 654 CA PHE A 48 -12.508 -11.990 -3.185 1.00 0.00 C ATOM 655 C PHE A 48 -11.327 -12.606 -3.928 1.00 0.00 C ATOM 656 O PHE A 48 -11.468 -13.626 -4.603 1.00 0.00 O ATOM 657 CB PHE A 48 -12.985 -10.733 -3.914 1.00 0.00 C ATOM 658 CG PHE A 48 -11.991 -9.607 -3.884 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.962 -8.719 -2.821 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.085 -9.438 -4.918 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.049 -7.683 -2.790 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.169 -8.404 -4.893 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.151 -7.525 -3.827 1.00 0.00 C ATOM 0 H PHE A 48 -11.174 -11.395 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.320 -12.717 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.204 -10.986 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.919 -10.395 -3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.662 -8.838 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -11.095 -10.122 -5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.037 -6.997 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.468 -8.283 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.436 -6.716 -3.805 1.00 0.00 H new ATOM 673 N GLN A 49 -10.162 -11.981 -3.798 1.00 0.00 N ATOM 674 CA GLN A 49 -8.955 -12.468 -4.457 1.00 0.00 C ATOM 675 C GLN A 49 -7.991 -13.077 -3.443 1.00 0.00 C ATOM 676 O GLN A 49 -8.112 -12.846 -2.240 1.00 0.00 O ATOM 677 CB GLN A 49 -8.267 -11.329 -5.213 1.00 0.00 C ATOM 678 CG GLN A 49 -8.656 -11.252 -6.680 1.00 0.00 C ATOM 679 CD GLN A 49 -8.193 -12.460 -7.470 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.984 -13.106 -8.159 1.00 0.00 O ATOM 681 NE2 GLN A 49 -6.907 -12.773 -7.374 1.00 0.00 N ATOM 0 H GLN A 49 -10.028 -11.136 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.245 -13.243 -5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.512 -10.383 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.187 -11.454 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.739 -11.163 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.229 -10.350 -7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.287 -12.210 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.538 -13.577 -7.883 1.00 0.00 H new ATOM 690 N GLU A 50 -7.036 -13.858 -3.938 1.00 0.00 N ATOM 691 CA GLU A 50 -6.052 -14.501 -3.076 1.00 0.00 C ATOM 692 C GLU A 50 -4.748 -13.710 -3.054 1.00 0.00 C ATOM 693 O GLU A 50 -4.489 -12.896 -3.940 1.00 0.00 O ATOM 694 CB GLU A 50 -5.787 -15.933 -3.548 1.00 0.00 C ATOM 695 CG GLU A 50 -6.628 -16.976 -2.827 1.00 0.00 C ATOM 696 CD GLU A 50 -7.381 -17.882 -3.781 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.737 -18.465 -4.678 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.614 -18.009 -3.630 1.00 0.00 O ATOM 0 H GLU A 50 -6.923 -14.060 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.456 -14.529 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.983 -15.996 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.732 -16.165 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.982 -17.581 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.340 -16.473 -2.172 1.00 0.00 H new ATOM 705 N GLY A 51 -3.930 -13.956 -2.036 1.00 0.00 N ATOM 706 CA GLY A 51 -2.662 -13.259 -1.918 1.00 0.00 C ATOM 707 C GLY A 51 -2.636 -12.299 -0.745 1.00 0.00 C ATOM 708 O GLY A 51 -2.881 -12.694 0.395 1.00 0.00 O ATOM 0 H GLY A 51 -4.122 -14.625 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.859 -13.988 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.466 -12.709 -2.838 1.00 0.00 H new ATOM 712 N THR A 52 -2.337 -11.034 -1.025 1.00 0.00 N ATOM 713 CA THR A 52 -2.280 -10.014 0.016 1.00 0.00 C ATOM 714 C THR A 52 -2.543 -8.629 -0.565 1.00 0.00 C ATOM 715 O THR A 52 -2.137 -8.328 -1.688 1.00 0.00 O ATOM 716 CB THR A 52 -0.915 -10.039 0.707 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.595 -11.350 1.136 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.841 -9.131 1.916 1.00 0.00 C ATOM 0 H THR A 52 -2.131 -10.691 -1.963 1.00 0.00 H new ATOM 0 HA THR A 52 -3.056 -10.234 0.749 1.00 0.00 H new ATOM 0 HB THR A 52 -0.206 -9.683 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.282 -11.346 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.153 -9.196 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.036 -8.103 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.586 -9.440 2.649 1.00 0.00 H new ATOM 726 N TRP A 53 -3.225 -7.789 0.206 1.00 0.00 N ATOM 727 CA TRP A 53 -3.541 -6.434 -0.232 1.00 0.00 C ATOM 728 C TRP A 53 -3.050 -5.405 0.780 1.00 0.00 C ATOM 729 O TRP A 53 -3.044 -5.658 1.985 1.00 0.00 O ATOM 730 CB TRP A 53 -5.050 -6.283 -0.439 1.00 0.00 C ATOM 731 CG TRP A 53 -5.599 -7.195 -1.493 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.826 -8.537 -1.379 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.990 -6.833 -2.822 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.335 -9.030 -2.557 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.445 -8.003 -3.458 1.00 0.00 C ATOM 736 CE3 TRP A 53 -6.001 -5.631 -3.536 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.905 -8.006 -4.773 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.457 -5.635 -4.841 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.904 -6.816 -5.447 1.00 0.00 C ATOM 0 H TRP A 53 -3.570 -8.022 1.137 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.030 -6.257 -1.179 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.560 -6.480 0.504 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.271 -5.251 -0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.634 -9.125 -0.493 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.589 -10.002 -2.732 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.659 -4.716 -3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.250 -8.915 -5.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.469 -4.712 -5.402 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -7.255 -6.786 -6.468 1.00 0.00 H new ATOM 750 N VAL A 54 -2.638 -4.244 0.282 1.00 0.00 N ATOM 751 CA VAL A 54 -2.143 -3.175 1.143 1.00 0.00 C ATOM 752 C VAL A 54 -2.877 -1.867 0.870 1.00 0.00 C ATOM 753 O VAL A 54 -2.715 -1.262 -0.189 1.00 0.00 O ATOM 754 CB VAL A 54 -0.630 -2.952 0.951 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.102 -1.955 1.971 1.00 0.00 C ATOM 756 CG2 VAL A 54 0.123 -4.272 1.043 1.00 0.00 C ATOM 0 H VAL A 54 -2.637 -4.019 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.328 -3.486 2.171 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.467 -2.538 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.968 -1.811 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.617 -1.002 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.278 -2.336 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.189 -4.093 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.046 -4.720 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.235 -4.950 0.268 1.00 0.00 H new ATOM 766 N GLY A 55 -3.686 -1.437 1.833 1.00 0.00 N ATOM 767 CA GLY A 55 -4.434 -0.204 1.677 1.00 0.00 C ATOM 768 C GLY A 55 -3.541 1.022 1.682 1.00 0.00 C ATOM 769 O GLY A 55 -2.451 1.002 2.255 1.00 0.00 O ATOM 0 H GLY A 55 -3.837 -1.921 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.993 -0.238 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.164 -0.121 2.482 1.00 0.00 H new ATOM 773 N VAL A 56 -4.002 2.091 1.040 1.00 0.00 N ATOM 774 CA VAL A 56 -3.238 3.330 0.972 1.00 0.00 C ATOM 775 C VAL A 56 -4.140 4.544 1.174 1.00 0.00 C ATOM 776 O VAL A 56 -5.173 4.678 0.518 1.00 0.00 O ATOM 777 CB VAL A 56 -2.508 3.466 -0.377 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.562 4.657 -0.355 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.757 2.186 -0.709 1.00 0.00 C ATOM 0 H VAL A 56 -4.901 2.123 0.560 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.500 3.291 1.774 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.251 3.636 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.055 4.737 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.129 5.569 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.823 4.520 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.247 2.301 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.023 1.982 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.461 1.356 -0.770 1.00 0.00 H new ATOM 789 N GLU A 57 -3.743 5.424 2.087 1.00 0.00 N ATOM 790 CA GLU A 57 -4.516 6.626 2.375 1.00 0.00 C ATOM 791 C GLU A 57 -4.041 7.798 1.520 1.00 0.00 C ATOM 792 O GLU A 57 -2.903 8.249 1.646 1.00 0.00 O ATOM 793 CB GLU A 57 -4.407 6.985 3.859 1.00 0.00 C ATOM 794 CG GLU A 57 -5.265 8.172 4.262 1.00 0.00 C ATOM 795 CD GLU A 57 -4.714 8.907 5.468 1.00 0.00 C ATOM 796 OE1 GLU A 57 -5.044 8.513 6.606 1.00 0.00 O ATOM 797 OE2 GLU A 57 -3.952 9.878 5.274 1.00 0.00 O ATOM 0 H GLU A 57 -2.891 5.327 2.640 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.559 6.423 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.695 6.120 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.366 7.203 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.339 8.863 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.275 7.827 4.482 1.00 0.00 H new ATOM 804 N LEU A 58 -4.921 8.286 0.653 1.00 0.00 N ATOM 805 CA LEU A 58 -4.593 9.405 -0.222 1.00 0.00 C ATOM 806 C LEU A 58 -5.191 10.704 0.309 1.00 0.00 C ATOM 807 O LEU A 58 -6.164 10.688 1.063 1.00 0.00 O ATOM 808 CB LEU A 58 -5.102 9.137 -1.640 1.00 0.00 C ATOM 809 CG LEU A 58 -4.507 7.904 -2.320 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.061 7.751 -3.728 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.989 7.993 -2.349 1.00 0.00 C ATOM 0 H LEU A 58 -5.868 7.924 0.537 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.508 9.509 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.186 9.026 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.890 10.011 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.789 7.023 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.626 6.868 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.145 7.641 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.810 8.634 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.582 7.107 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.687 8.883 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.609 8.053 -1.329 1.00 0.00 H new ATOM 823 N ASP A 59 -4.603 11.827 -0.091 1.00 0.00 N ATOM 824 CA ASP A 59 -5.080 13.135 0.343 1.00 0.00 C ATOM 825 C ASP A 59 -5.942 13.788 -0.733 1.00 0.00 C ATOM 826 O ASP A 59 -6.029 15.014 -0.811 1.00 0.00 O ATOM 827 CB ASP A 59 -3.897 14.042 0.687 1.00 0.00 C ATOM 828 CG ASP A 59 -3.284 13.710 2.033 1.00 0.00 C ATOM 829 OD1 ASP A 59 -3.316 12.524 2.423 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.773 14.636 2.698 1.00 0.00 O ATOM 0 H ASP A 59 -3.796 11.857 -0.714 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.693 12.993 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.136 13.951 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.228 15.081 0.688 1.00 0.00 H new ATOM 835 N LEU A 60 -6.577 12.964 -1.560 1.00 0.00 N ATOM 836 CA LEU A 60 -7.433 13.464 -2.630 1.00 0.00 C ATOM 837 C LEU A 60 -8.493 12.432 -3.007 1.00 0.00 C ATOM 838 O LEU A 60 -8.242 11.228 -2.960 1.00 0.00 O ATOM 839 CB LEU A 60 -6.593 13.819 -3.859 1.00 0.00 C ATOM 840 CG LEU A 60 -5.679 15.035 -3.690 1.00 0.00 C ATOM 841 CD1 LEU A 60 -4.773 15.193 -4.901 1.00 0.00 C ATOM 842 CD2 LEU A 60 -6.505 16.294 -3.473 1.00 0.00 C ATOM 0 H LEU A 60 -6.515 11.947 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.936 14.361 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.980 12.957 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.264 14.002 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.053 14.878 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.130 16.062 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.157 14.301 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.381 15.329 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.840 17.150 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.155 16.456 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.113 16.180 -2.575 1.00 0.00 H new ATOM 854 N PRO A 61 -9.699 12.891 -3.386 1.00 0.00 N ATOM 855 CA PRO A 61 -10.797 12.001 -3.771 1.00 0.00 C ATOM 856 C PRO A 61 -10.575 11.364 -5.139 1.00 0.00 C ATOM 857 O PRO A 61 -11.218 11.738 -6.121 1.00 0.00 O ATOM 858 CB PRO A 61 -12.009 12.931 -3.802 1.00 0.00 C ATOM 859 CG PRO A 61 -11.444 14.273 -4.115 1.00 0.00 C ATOM 860 CD PRO A 61 -10.085 14.314 -3.471 1.00 0.00 C ATOM 0 HA PRO A 61 -10.904 11.162 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.730 12.618 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.531 12.934 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.370 14.423 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.084 15.065 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.375 14.887 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.122 14.779 -2.486 1.00 0.00 H new ATOM 868 N SER A 62 -9.659 10.403 -5.199 1.00 0.00 N ATOM 869 CA SER A 62 -9.353 9.715 -6.447 1.00 0.00 C ATOM 870 C SER A 62 -8.819 8.311 -6.179 1.00 0.00 C ATOM 871 O SER A 62 -7.892 8.130 -5.391 1.00 0.00 O ATOM 872 CB SER A 62 -8.332 10.516 -7.257 1.00 0.00 C ATOM 873 OG SER A 62 -8.967 11.525 -8.024 1.00 0.00 O ATOM 0 H SER A 62 -9.116 10.083 -4.397 1.00 0.00 H new ATOM 0 HA SER A 62 -10.276 9.629 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.605 10.970 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.781 9.846 -7.917 1.00 0.00 H new ATOM 0 HG SER A 62 -9.816 11.772 -7.601 1.00 0.00 H new ATOM 879 N GLY A 63 -9.412 7.322 -6.840 1.00 0.00 N ATOM 880 CA GLY A 63 -8.982 5.948 -6.658 1.00 0.00 C ATOM 881 C GLY A 63 -10.093 4.953 -6.932 1.00 0.00 C ATOM 882 O GLY A 63 -10.551 4.821 -8.066 1.00 0.00 O ATOM 0 H GLY A 63 -10.182 7.447 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.142 5.742 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.622 5.815 -5.638 1.00 0.00 H new ATOM 886 N LYS A 64 -10.527 4.252 -5.889 1.00 0.00 N ATOM 887 CA LYS A 64 -11.591 3.265 -6.023 1.00 0.00 C ATOM 888 C LYS A 64 -11.997 2.713 -4.660 1.00 0.00 C ATOM 889 O LYS A 64 -11.161 2.554 -3.770 1.00 0.00 O ATOM 890 CB LYS A 64 -11.142 2.122 -6.939 1.00 0.00 C ATOM 891 CG LYS A 64 -11.813 2.138 -8.302 1.00 0.00 C ATOM 892 CD LYS A 64 -13.045 1.245 -8.328 1.00 0.00 C ATOM 893 CE LYS A 64 -12.770 -0.071 -9.041 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.742 -1.224 -8.097 1.00 0.00 N ATOM 0 H LYS A 64 -10.158 4.350 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.457 3.757 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.062 2.178 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.353 1.171 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.097 3.159 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.105 1.805 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.371 1.045 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.862 1.766 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.537 -0.240 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.816 -0.007 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.722 -2.113 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.894 -1.162 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.591 -1.202 -7.497 1.00 0.00 H new ATOM 908 N ASN A 65 -13.285 2.423 -4.504 1.00 0.00 N ATOM 909 CA ASN A 65 -13.805 1.888 -3.251 1.00 0.00 C ATOM 910 C ASN A 65 -13.622 2.888 -2.114 1.00 0.00 C ATOM 911 O ASN A 65 -12.507 3.326 -1.830 1.00 0.00 O ATOM 912 CB ASN A 65 -13.107 0.571 -2.904 1.00 0.00 C ATOM 913 CG ASN A 65 -13.055 -0.383 -4.081 1.00 0.00 C ATOM 914 OD1 ASN A 65 -14.054 -1.016 -4.425 1.00 0.00 O ATOM 915 ND2 ASN A 65 -11.888 -0.491 -4.704 1.00 0.00 N ATOM 0 H ASN A 65 -13.989 2.550 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.871 1.703 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.093 0.779 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.630 0.093 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.792 -1.118 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.087 0.053 -4.384 1.00 0.00 H new ATOM 922 N ASP A 66 -14.726 3.245 -1.464 1.00 0.00 N ATOM 923 CA ASP A 66 -14.688 4.193 -0.356 1.00 0.00 C ATOM 924 C ASP A 66 -14.348 3.486 0.953 1.00 0.00 C ATOM 925 O ASP A 66 -15.110 3.542 1.917 1.00 0.00 O ATOM 926 CB ASP A 66 -16.032 4.914 -0.230 1.00 0.00 C ATOM 927 CG ASP A 66 -17.199 3.950 -0.146 1.00 0.00 C ATOM 928 OD1 ASP A 66 -17.269 3.027 -0.984 1.00 0.00 O ATOM 929 OD2 ASP A 66 -18.045 4.119 0.758 1.00 0.00 O ATOM 0 H ASP A 66 -15.657 2.892 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.909 4.927 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.021 5.545 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.170 5.573 -1.087 1.00 0.00 H new ATOM 934 N GLY A 67 -13.198 2.820 0.977 1.00 0.00 N ATOM 935 CA GLY A 67 -12.777 2.112 2.172 1.00 0.00 C ATOM 936 C GLY A 67 -13.191 0.654 2.156 1.00 0.00 C ATOM 937 O GLY A 67 -12.401 -0.226 2.497 1.00 0.00 O ATOM 0 H GLY A 67 -12.551 2.758 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.693 2.178 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.204 2.599 3.049 1.00 0.00 H new ATOM 941 N SER A 68 -14.433 0.397 1.759 1.00 0.00 N ATOM 942 CA SER A 68 -14.951 -0.965 1.701 1.00 0.00 C ATOM 943 C SER A 68 -15.156 -1.408 0.256 1.00 0.00 C ATOM 944 O SER A 68 -15.222 -0.582 -0.654 1.00 0.00 O ATOM 945 CB SER A 68 -16.271 -1.064 2.468 1.00 0.00 C ATOM 946 OG SER A 68 -17.338 -0.500 1.725 1.00 0.00 O ATOM 0 H SER A 68 -15.099 1.114 1.473 1.00 0.00 H new ATOM 0 HA SER A 68 -14.218 -1.626 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.490 -2.109 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.178 -0.550 3.425 1.00 0.00 H new ATOM 0 HG SER A 68 -18.170 -0.578 2.237 1.00 0.00 H new ATOM 952 N ILE A 69 -15.255 -2.718 0.053 1.00 0.00 N ATOM 953 CA ILE A 69 -15.453 -3.273 -1.280 1.00 0.00 C ATOM 954 C ILE A 69 -16.549 -4.332 -1.277 1.00 0.00 C ATOM 955 O ILE A 69 -16.474 -5.315 -0.540 1.00 0.00 O ATOM 956 CB ILE A 69 -14.155 -3.896 -1.829 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.984 -2.927 -1.654 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.326 -4.272 -3.292 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.667 -3.475 -2.157 1.00 0.00 C ATOM 0 H ILE A 69 -15.201 -3.415 0.796 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.751 -2.446 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.938 -4.803 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.208 -2.000 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.885 -2.677 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.401 -4.711 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.136 -4.995 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.564 -3.380 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.882 -2.735 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.420 -4.386 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.749 -3.699 -3.221 1.00 0.00 H new ATOM 971 N GLY A 70 -17.568 -4.124 -2.105 1.00 0.00 N ATOM 972 CA GLY A 70 -18.665 -5.071 -2.182 1.00 0.00 C ATOM 973 C GLY A 70 -19.494 -5.101 -0.913 1.00 0.00 C ATOM 974 O GLY A 70 -20.519 -4.428 -0.817 1.00 0.00 O ATOM 0 H GLY A 70 -17.654 -3.317 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.306 -4.813 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.268 -6.067 -2.377 1.00 0.00 H new ATOM 978 N GLY A 71 -19.049 -5.886 0.063 1.00 0.00 N ATOM 979 CA GLY A 71 -19.768 -5.987 1.319 1.00 0.00 C ATOM 980 C GLY A 71 -18.848 -6.248 2.495 1.00 0.00 C ATOM 981 O GLY A 71 -19.253 -6.855 3.487 1.00 0.00 O ATOM 0 H GLY A 71 -18.203 -6.454 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.321 -5.064 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.502 -6.790 1.250 1.00 0.00 H new ATOM 985 N LYS A 72 -17.606 -5.787 2.387 1.00 0.00 N ATOM 986 CA LYS A 72 -16.625 -5.974 3.450 1.00 0.00 C ATOM 987 C LYS A 72 -15.746 -4.737 3.603 1.00 0.00 C ATOM 988 O LYS A 72 -15.034 -4.351 2.676 1.00 0.00 O ATOM 989 CB LYS A 72 -15.755 -7.199 3.160 1.00 0.00 C ATOM 990 CG LYS A 72 -14.726 -7.484 4.243 1.00 0.00 C ATOM 991 CD LYS A 72 -15.315 -8.326 5.363 1.00 0.00 C ATOM 992 CE LYS A 72 -15.676 -9.723 4.882 1.00 0.00 C ATOM 993 NZ LYS A 72 -15.175 -10.776 5.809 1.00 0.00 N ATOM 0 H LYS A 72 -17.255 -5.281 1.574 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.164 -6.132 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.398 -8.071 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.240 -7.052 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.872 -8.002 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.355 -6.544 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.599 -8.396 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.204 -7.836 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.759 -9.806 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.257 -9.885 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.898 -11.515 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.307 -11.196 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.969 -10.353 6.737 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.799 -4.122 4.779 1.00 0.00 N ATOM 1008 CA GLN A 73 -15.006 -2.930 5.055 1.00 0.00 C ATOM 1009 C GLN A 73 -13.599 -3.306 5.505 1.00 0.00 C ATOM 1010 O GLN A 73 -13.376 -4.395 6.035 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.686 -2.075 6.126 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.281 -0.610 6.082 1.00 0.00 C ATOM 1013 CD GLN A 73 -16.470 0.324 5.963 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -17.565 -0.092 5.587 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.257 1.595 6.283 1.00 0.00 N ATOM 0 H GLN A 73 -16.383 -4.429 5.557 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.931 -2.352 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.767 -2.148 6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.446 -2.480 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.721 -0.365 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.611 -0.448 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.332 1.895 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.018 2.271 6.222 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.652 -2.398 5.291 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.265 -2.634 5.676 1.00 0.00 C ATOM 1026 C TYR A 74 -10.755 -1.521 6.584 1.00 0.00 C ATOM 1027 O TYR A 74 -10.400 -1.761 7.738 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.380 -2.739 4.432 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.832 -3.799 3.453 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.991 -3.632 2.705 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -10.100 -4.966 3.277 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -12.408 -4.599 1.810 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -10.509 -5.937 2.383 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.663 -5.749 1.653 1.00 0.00 C ATOM 1035 OH TYR A 74 -12.074 -6.714 0.762 1.00 0.00 O ATOM 0 H TYR A 74 -12.820 -1.492 4.853 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.222 -3.574 6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.363 -1.773 3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.357 -2.955 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.576 -2.732 2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.196 -5.117 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.312 -4.455 1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.928 -6.838 2.257 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.438 -7.460 0.771 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.720 -0.302 6.056 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.254 0.849 6.817 1.00 0.00 C ATOM 1047 C PHE A 75 -11.303 1.956 6.828 1.00 0.00 C ATOM 1048 O PHE A 75 -12.098 2.079 5.897 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.944 1.378 6.230 1.00 0.00 C ATOM 1050 CG PHE A 75 -9.006 1.623 4.749 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.733 0.603 3.854 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -9.340 2.873 4.254 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.791 0.824 2.490 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -9.399 3.102 2.892 1.00 0.00 C ATOM 1055 CZ PHE A 75 -9.124 2.075 2.010 1.00 0.00 C ATOM 0 H PHE A 75 -11.010 -0.087 5.102 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.081 0.528 7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.679 2.308 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.147 0.664 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.472 -0.377 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.557 3.678 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.576 0.020 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.659 4.081 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.169 2.251 0.945 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.301 2.758 7.888 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.253 3.854 8.019 1.00 0.00 C ATOM 1067 C ARG A 76 -11.538 5.201 8.017 1.00 0.00 C ATOM 1068 O ARG A 76 -11.084 5.676 9.058 1.00 0.00 O ATOM 1069 CB ARG A 76 -13.068 3.697 9.305 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.097 2.581 9.241 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.202 2.782 10.266 1.00 0.00 C ATOM 1072 NE ARG A 76 -16.493 2.301 9.779 1.00 0.00 N ATOM 1073 CZ ARG A 76 -17.531 2.036 10.569 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -17.433 2.202 11.883 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -18.669 1.602 10.045 1.00 0.00 N ATOM 0 H ARG A 76 -10.650 2.669 8.669 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.927 3.821 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.388 3.506 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.577 4.637 9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.530 2.541 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.607 1.623 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.943 2.258 11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.279 3.841 10.513 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.605 2.160 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.559 2.534 12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.231 1.997 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.749 1.471 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.464 1.399 10.650 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.443 5.813 6.840 1.00 0.00 N ATOM 1090 CA CYS A 77 -10.784 7.106 6.702 1.00 0.00 C ATOM 1091 C CYS A 77 -11.733 8.138 6.100 1.00 0.00 C ATOM 1092 O CYS A 77 -12.176 9.060 6.784 1.00 0.00 O ATOM 1093 CB CYS A 77 -9.533 6.973 5.831 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.094 7.863 6.468 1.00 0.00 S ATOM 0 H CYS A 77 -11.814 5.434 5.969 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.491 7.446 7.695 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.281 5.917 5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.760 7.339 4.830 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.036 7.115 6.355 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.043 7.974 4.818 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.941 8.891 4.125 1.00 0.00 C ATOM 1102 C ASN A 78 -13.192 8.426 2.691 1.00 0.00 C ATOM 1103 O ASN A 78 -12.268 7.999 2.000 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.357 10.306 4.121 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.938 11.175 5.219 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -14.110 11.049 5.571 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.118 12.064 5.765 1.00 0.00 N ATOM 0 H ASN A 78 -11.686 7.215 4.238 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.892 8.901 4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.275 10.250 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.547 10.772 3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.453 12.677 6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.153 12.134 5.442 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.452 8.501 2.220 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.811 8.083 0.860 1.00 0.00 C ATOM 1116 C PRO A 79 -13.990 8.803 -0.205 1.00 0.00 C ATOM 1117 O PRO A 79 -13.976 10.033 -0.264 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.289 8.467 0.740 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.784 8.528 2.143 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.621 8.995 2.971 1.00 0.00 C ATOM 0 HA PRO A 79 -14.619 7.022 0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.408 9.427 0.237 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.843 7.731 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.626 9.215 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.133 7.551 2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.607 10.080 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.654 8.584 3.980 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.309 8.030 -1.045 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.496 8.614 -2.097 1.00 0.00 C ATOM 1130 C GLY A 80 -11.042 8.766 -1.695 1.00 0.00 C ATOM 1131 O GLY A 80 -10.145 8.643 -2.530 1.00 0.00 O ATOM 0 H GLY A 80 -13.305 7.010 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.559 7.990 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.900 9.591 -2.363 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.808 9.039 -0.416 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.453 9.211 0.093 1.00 0.00 C ATOM 1137 C TYR A 81 -8.887 7.885 0.595 1.00 0.00 C ATOM 1138 O TYR A 81 -8.388 7.795 1.717 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.439 10.249 1.218 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.167 11.528 0.871 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.553 11.600 0.935 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -9.468 12.663 0.479 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -12.221 12.767 0.618 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -10.129 13.834 0.161 1.00 0.00 C ATOM 1145 CZ TYR A 81 -11.505 13.881 0.232 1.00 0.00 C ATOM 1146 OH TYR A 81 -12.168 15.045 -0.084 1.00 0.00 O ATOM 0 H TYR A 81 -11.539 9.146 0.287 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.824 9.564 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.892 9.813 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.405 10.486 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.117 10.730 1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.390 12.629 0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.299 12.807 0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.571 14.708 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.518 15.734 -0.334 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.970 6.859 -0.245 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.463 5.552 0.130 1.00 0.00 C ATOM 1158 C GLY A 82 -8.547 4.550 -1.005 1.00 0.00 C ATOM 1159 O GLY A 82 -9.580 4.435 -1.664 1.00 0.00 O ATOM 0 H GLY A 82 -9.379 6.909 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.426 5.647 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.028 5.178 0.984 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.457 3.824 -1.233 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.412 2.827 -2.297 1.00 0.00 C ATOM 1165 C LEU A 83 -6.656 1.582 -1.843 1.00 0.00 C ATOM 1166 O LEU A 83 -5.659 1.675 -1.128 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.750 3.412 -3.546 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.618 2.445 -4.723 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.979 2.172 -5.344 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.656 2.999 -5.762 1.00 0.00 C ATOM 0 H LEU A 83 -6.594 3.907 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.436 2.542 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.325 4.279 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.756 3.771 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.216 1.502 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.866 1.482 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.638 1.731 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.410 3.107 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.574 2.298 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.029 3.955 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.675 3.142 -5.310 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.139 0.416 -2.265 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.508 -0.847 -1.902 1.00 0.00 C ATOM 1184 C LEU A 84 -5.768 -1.448 -3.093 1.00 0.00 C ATOM 1185 O LEU A 84 -6.384 -1.843 -4.083 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.557 -1.833 -1.383 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.572 -2.023 0.136 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.930 -2.530 0.597 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.471 -2.982 0.562 1.00 0.00 C ATOM 0 H LEU A 84 -7.964 0.321 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.783 -0.650 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.542 -1.492 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.387 -2.802 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.389 -1.057 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.922 -2.659 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.700 -1.808 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.143 -3.486 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.495 -3.106 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.625 -3.949 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.503 -2.579 0.265 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.445 -1.515 -2.988 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.620 -2.069 -4.056 1.00 0.00 C ATOM 1203 C VAL A 85 -2.717 -3.180 -3.531 1.00 0.00 C ATOM 1204 O VAL A 85 -2.526 -3.320 -2.323 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.749 -0.983 -4.713 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.602 -0.059 -5.569 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.991 -0.194 -3.656 1.00 0.00 C ATOM 0 H VAL A 85 -3.921 -1.193 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.301 -2.479 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.021 -1.471 -5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.969 0.702 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.094 -0.638 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.356 0.422 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.381 0.569 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.700 0.283 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.348 -0.868 -3.090 1.00 0.00 H new ATOM 1217 N ARG A 86 -2.164 -3.968 -4.447 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.280 -5.067 -4.076 1.00 0.00 C ATOM 1219 C ARG A 86 0.078 -4.541 -3.616 1.00 0.00 C ATOM 1220 O ARG A 86 0.520 -3.479 -4.052 1.00 0.00 O ATOM 1221 CB ARG A 86 -1.097 -6.022 -5.256 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.409 -6.529 -5.838 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.591 -8.021 -5.600 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.584 -8.780 -6.848 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.629 -8.869 -7.667 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.767 -8.251 -7.374 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.538 -9.579 -8.783 1.00 0.00 N ATOM 0 H ARG A 86 -2.312 -3.866 -5.451 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.740 -5.607 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.534 -5.515 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.499 -6.874 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.240 -5.985 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.435 -6.325 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.794 -8.384 -4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.532 -8.192 -5.077 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.728 -9.271 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.844 -7.704 -6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.564 -8.323 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.667 -10.057 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.339 -9.647 -9.411 1.00 0.00 H new ATOM 1241 N PRO A 87 0.761 -5.283 -2.726 1.00 0.00 N ATOM 1242 CA PRO A 87 2.074 -4.883 -2.210 1.00 0.00 C ATOM 1243 C PRO A 87 3.054 -4.548 -3.328 1.00 0.00 C ATOM 1244 O PRO A 87 3.886 -3.651 -3.194 1.00 0.00 O ATOM 1245 CB PRO A 87 2.544 -6.116 -1.436 1.00 0.00 C ATOM 1246 CG PRO A 87 1.290 -6.818 -1.043 1.00 0.00 C ATOM 1247 CD PRO A 87 0.307 -6.564 -2.154 1.00 0.00 C ATOM 0 HA PRO A 87 2.016 -3.981 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.177 -6.753 -2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.131 -5.835 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.465 -7.886 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.912 -6.439 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.323 -7.363 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.714 -6.497 -1.779 1.00 0.00 H new ATOM 1255 N SER A 88 2.945 -5.275 -4.433 1.00 0.00 N ATOM 1256 CA SER A 88 3.816 -5.057 -5.582 1.00 0.00 C ATOM 1257 C SER A 88 3.632 -3.653 -6.151 1.00 0.00 C ATOM 1258 O SER A 88 4.513 -3.131 -6.836 1.00 0.00 O ATOM 1259 CB SER A 88 3.535 -6.099 -6.666 1.00 0.00 C ATOM 1260 OG SER A 88 3.573 -7.413 -6.134 1.00 0.00 O ATOM 0 H SER A 88 2.261 -6.022 -4.558 1.00 0.00 H new ATOM 0 HA SER A 88 4.848 -5.159 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.557 -5.911 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.271 -6.005 -7.464 1.00 0.00 H new ATOM 0 HG SER A 88 3.263 -8.049 -6.812 1.00 0.00 H new ATOM 1266 N ARG A 89 2.485 -3.044 -5.863 1.00 0.00 N ATOM 1267 CA ARG A 89 2.191 -1.701 -6.348 1.00 0.00 C ATOM 1268 C ARG A 89 2.535 -0.648 -5.297 1.00 0.00 C ATOM 1269 O ARG A 89 1.959 0.440 -5.285 1.00 0.00 O ATOM 1270 CB ARG A 89 0.714 -1.588 -6.732 1.00 0.00 C ATOM 1271 CG ARG A 89 0.342 -2.404 -7.958 1.00 0.00 C ATOM 1272 CD ARG A 89 1.102 -1.939 -9.191 1.00 0.00 C ATOM 1273 NE ARG A 89 0.243 -1.872 -10.371 1.00 0.00 N ATOM 1274 CZ ARG A 89 0.700 -1.724 -11.612 1.00 0.00 C ATOM 1275 NH1 ARG A 89 2.004 -1.629 -11.841 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.150 -1.673 -12.630 1.00 0.00 N ATOM 0 H ARG A 89 1.745 -3.460 -5.297 1.00 0.00 H new ATOM 0 HA ARG A 89 2.807 -1.520 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.102 -1.912 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.474 -0.541 -6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.556 -3.457 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.730 -2.323 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.534 -0.957 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.931 -2.620 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.766 -1.943 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.663 -1.669 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.347 -1.516 -12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.153 -1.747 -12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.200 -1.560 -13.581 1.00 0.00 H new ATOM 1290 N VAL A 90 3.476 -0.976 -4.417 1.00 0.00 N ATOM 1291 CA VAL A 90 3.892 -0.056 -3.365 1.00 0.00 C ATOM 1292 C VAL A 90 5.411 -0.007 -3.248 1.00 0.00 C ATOM 1293 O VAL A 90 6.077 -1.043 -3.237 1.00 0.00 O ATOM 1294 CB VAL A 90 3.297 -0.452 -2.002 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.566 0.629 -0.967 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.805 -0.721 -2.128 1.00 0.00 C ATOM 0 H VAL A 90 3.964 -1.871 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 90 3.518 0.930 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 90 3.781 -1.370 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.138 0.331 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.642 0.767 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.112 1.565 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.402 -1.000 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.302 0.178 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.640 -1.534 -2.835 1.00 0.00 H new ATOM 1306 N ARG A 91 5.955 1.202 -3.159 1.00 0.00 N ATOM 1307 CA ARG A 91 7.396 1.387 -3.041 1.00 0.00 C ATOM 1308 C ARG A 91 7.739 2.224 -1.812 1.00 0.00 C ATOM 1309 O ARG A 91 7.012 3.151 -1.459 1.00 0.00 O ATOM 1310 CB ARG A 91 7.950 2.058 -4.299 1.00 0.00 C ATOM 1311 CG ARG A 91 8.201 1.090 -5.444 1.00 0.00 C ATOM 1312 CD ARG A 91 8.612 1.821 -6.712 1.00 0.00 C ATOM 1313 NE ARG A 91 9.078 0.903 -7.747 1.00 0.00 N ATOM 1314 CZ ARG A 91 8.268 0.183 -8.519 1.00 0.00 C ATOM 1315 NH1 ARG A 91 6.952 0.271 -8.377 1.00 0.00 N ATOM 1316 NH2 ARG A 91 8.776 -0.630 -9.437 1.00 0.00 N ATOM 0 H ARG A 91 5.418 2.069 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 91 7.855 0.405 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.250 2.825 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.883 2.563 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.982 0.384 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.299 0.508 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.766 2.394 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.402 2.535 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 91 10.084 0.808 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.556 0.893 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.337 -0.284 -8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.787 -0.703 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.155 -1.182 -10.029 1.00 0.00 H new ATOM 1330 N ARG A 92 8.851 1.890 -1.167 1.00 0.00 N ATOM 1331 CA ARG A 92 9.291 2.611 0.022 1.00 0.00 C ATOM 1332 C ARG A 92 9.541 4.082 -0.296 1.00 0.00 C ATOM 1333 O ARG A 92 10.124 4.414 -1.328 1.00 0.00 O ATOM 1334 CB ARG A 92 10.561 1.972 0.591 1.00 0.00 C ATOM 1335 CG ARG A 92 10.469 1.654 2.074 1.00 0.00 C ATOM 1336 CD ARG A 92 11.847 1.557 2.709 1.00 0.00 C ATOM 1337 NE ARG A 92 12.568 0.363 2.273 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.613 -0.150 2.919 1.00 0.00 C ATOM 1339 NH1 ARG A 92 14.061 0.422 4.029 1.00 0.00 N ATOM 1340 NH2 ARG A 92 14.210 -1.238 2.454 1.00 0.00 N ATOM 0 H ARG A 92 9.464 1.125 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 92 8.499 2.551 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.773 1.054 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.403 2.644 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.889 2.427 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.936 0.714 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.427 2.444 2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.746 1.543 3.794 1.00 0.00 H new ATOM 0 HE ARG A 92 12.252 -0.105 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.604 1.259 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.862 0.025 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.869 -1.682 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.011 -1.631 2.949 1.00 0.00 H new ATOM 1354 N ALA A 93 9.095 4.959 0.598 1.00 0.00 N ATOM 1355 CA ALA A 93 9.270 6.394 0.412 1.00 0.00 C ATOM 1356 C ALA A 93 10.476 6.906 1.193 1.00 0.00 C ATOM 1357 O ALA A 93 10.481 8.040 1.673 1.00 0.00 O ATOM 1358 CB ALA A 93 8.012 7.138 0.833 1.00 0.00 C ATOM 0 H ALA A 93 8.610 4.701 1.457 1.00 0.00 H new ATOM 0 HA ALA A 93 9.451 6.579 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.157 8.209 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.170 6.801 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.806 6.938 1.885 1.00 0.00 H new ATOM 1364 N THR A 94 11.497 6.065 1.314 1.00 0.00 N ATOM 1365 CA THR A 94 12.709 6.433 2.037 1.00 0.00 C ATOM 1366 C THR A 94 13.950 5.910 1.321 1.00 0.00 C ATOM 1367 O THR A 94 13.849 5.155 0.354 1.00 0.00 O ATOM 1368 CB THR A 94 12.662 5.887 3.465 1.00 0.00 C ATOM 1369 OG1 THR A 94 12.544 4.475 3.458 1.00 0.00 O ATOM 1370 CG2 THR A 94 11.514 6.439 4.280 1.00 0.00 C ATOM 0 H THR A 94 11.510 5.124 0.921 1.00 0.00 H new ATOM 0 HA THR A 94 12.764 7.521 2.073 1.00 0.00 H new ATOM 0 HB THR A 94 13.598 6.203 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.517 4.144 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.540 6.010 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.603 7.523 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.570 6.182 3.800 1.00 0.00 H new ATOM 1378 N SER A 95 15.120 6.318 1.802 1.00 0.00 N ATOM 1379 CA SER A 95 16.381 5.891 1.208 1.00 0.00 C ATOM 1380 C SER A 95 17.566 6.428 2.004 1.00 0.00 C ATOM 1381 O SER A 95 18.491 5.687 2.336 1.00 0.00 O ATOM 1382 CB SER A 95 16.470 6.363 -0.244 1.00 0.00 C ATOM 1383 OG SER A 95 15.972 5.378 -1.132 1.00 0.00 O ATOM 0 H SER A 95 15.221 6.944 2.601 1.00 0.00 H new ATOM 0 HA SER A 95 16.415 4.802 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.903 7.286 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.507 6.591 -0.493 1.00 0.00 H new ATOM 0 HG SER A 95 15.148 4.994 -0.766 1.00 0.00 H new ATOM 1389 N GLY A 96 17.530 7.722 2.307 1.00 0.00 N ATOM 1390 CA GLY A 96 18.606 8.336 3.063 1.00 0.00 C ATOM 1391 C GLY A 96 18.353 9.808 3.338 1.00 0.00 C ATOM 1392 O GLY A 96 17.810 10.514 2.489 1.00 0.00 O ATOM 0 H GLY A 96 16.776 8.356 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.729 7.808 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.541 8.227 2.513 1.00 0.00 H new ATOM 1396 N PRO A 97 18.740 10.305 4.528 1.00 0.00 N ATOM 1397 CA PRO A 97 18.543 11.710 4.896 1.00 0.00 C ATOM 1398 C PRO A 97 19.490 12.642 4.148 1.00 0.00 C ATOM 1399 O PRO A 97 19.170 13.805 3.905 1.00 0.00 O ATOM 1400 CB PRO A 97 18.848 11.727 6.394 1.00 0.00 C ATOM 1401 CG PRO A 97 19.792 10.594 6.599 1.00 0.00 C ATOM 1402 CD PRO A 97 19.397 9.537 5.603 1.00 0.00 C ATOM 0 HA PRO A 97 17.542 12.062 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 97 19.294 12.674 6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.941 11.599 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 97 20.823 10.912 6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 97 19.728 10.213 7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 97 20.264 8.990 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.721 8.803 6.043 1.00 0.00 H new ATOM 1410 N SER A 98 20.660 12.124 3.786 1.00 0.00 N ATOM 1411 CA SER A 98 21.655 12.910 3.066 1.00 0.00 C ATOM 1412 C SER A 98 21.747 12.468 1.609 1.00 0.00 C ATOM 1413 O SER A 98 22.334 11.431 1.301 1.00 0.00 O ATOM 1414 CB SER A 98 23.023 12.780 3.738 1.00 0.00 C ATOM 1415 OG SER A 98 23.964 13.663 3.154 1.00 0.00 O ATOM 0 H SER A 98 20.942 11.163 3.980 1.00 0.00 H new ATOM 0 HA SER A 98 21.344 13.954 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.930 12.995 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.379 11.754 3.649 1.00 0.00 H new ATOM 0 HG SER A 98 24.830 13.562 3.602 1.00 0.00 H new ATOM 1421 N SER A 99 21.165 13.262 0.717 1.00 0.00 N ATOM 1422 CA SER A 99 21.182 12.953 -0.708 1.00 0.00 C ATOM 1423 C SER A 99 22.060 13.941 -1.470 1.00 0.00 C ATOM 1424 O SER A 99 22.666 14.832 -0.875 1.00 0.00 O ATOM 1425 CB SER A 99 19.760 12.975 -1.274 1.00 0.00 C ATOM 1426 OG SER A 99 19.175 11.685 -1.236 1.00 0.00 O ATOM 0 H SER A 99 20.676 14.124 0.956 1.00 0.00 H new ATOM 0 HA SER A 99 21.600 11.954 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 99 19.148 13.672 -0.701 1.00 0.00 H new ATOM 0 HB3 SER A 99 19.780 13.338 -2.301 1.00 0.00 H new ATOM 0 HG SER A 99 18.267 11.727 -1.601 1.00 0.00 H new ATOM 1432 N GLY A 100 22.123 13.776 -2.787 1.00 0.00 N ATOM 1433 CA GLY A 100 22.930 14.660 -3.606 1.00 0.00 C ATOM 1434 C GLY A 100 24.414 14.513 -3.332 1.00 0.00 C ATOM 1435 O GLY A 100 25.034 15.496 -2.874 1.00 0.00 O ATOM 1436 OXT GLY A 100 24.956 13.414 -3.575 1.00 0.00 O ATOM 0 H GLY A 100 21.630 13.046 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 100 22.736 14.453 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 100 22.631 15.692 -3.424 1.00 0.00 H new TER 1440 GLY A 100