USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 36 GLN : amide:sc= -0.264 X(o=-0.58,f=-0.32) USER MOD Set 1.2: A 72 CYS SG : rot 36:sc= -0.315 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.598 USER MOD Single : A 28 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -108:sc= 0.94 USER MOD Single : A 42 GLN : amide:sc= -0.932 K(o=-0.93,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= -2.59 K(o=-2.6,f=-7.4!) USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= -1.28 (180deg=-2.76!) USER MOD Single : A 60 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.22) USER MOD Single : A 69 TYR OH : rot -15:sc= 0.0469 USER MOD Single : A 76 GLN : amide:sc= -2.25 K(o=-2.3,f=-3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 111:sc= 0.105 USER MOD Single : A 88 GLN : amide:sc= -0.0399 K(o=-0.04,f=-2.3!) USER MOD Single : A 90 SER OG : rot 180:sc= -1.01 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.936 -19.566 -9.238 1.00 0.00 N ATOM 2 CA GLY A 1 -19.070 -20.263 -8.571 1.00 0.00 C ATOM 3 C GLY A 1 -19.637 -19.469 -7.410 1.00 0.00 C ATOM 4 O GLY A 1 -19.760 -19.983 -6.299 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.584 -20.149 -10.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.260 -18.649 -9.606 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.170 -19.413 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.859 -20.447 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.734 -21.236 -8.212 1.00 0.00 H new ATOM 10 N SER A 2 -19.982 -18.212 -7.669 1.00 0.00 N ATOM 11 CA SER A 2 -20.540 -17.344 -6.638 1.00 0.00 C ATOM 12 C SER A 2 -19.544 -17.140 -5.500 1.00 0.00 C ATOM 13 O SER A 2 -19.191 -18.085 -4.796 1.00 0.00 O ATOM 14 CB SER A 2 -21.841 -17.933 -6.093 1.00 0.00 C ATOM 15 OG SER A 2 -22.964 -17.426 -6.792 1.00 0.00 O ATOM 0 H SER A 2 -19.885 -17.772 -8.584 1.00 0.00 H new ATOM 0 HA SER A 2 -20.751 -16.375 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.816 -19.019 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.933 -17.699 -5.032 1.00 0.00 H new ATOM 0 HG SER A 2 -23.783 -17.820 -6.425 1.00 0.00 H new ATOM 21 N SER A 3 -19.094 -15.901 -5.330 1.00 0.00 N ATOM 22 CA SER A 3 -18.138 -15.572 -4.278 1.00 0.00 C ATOM 23 C SER A 3 -16.835 -16.343 -4.466 1.00 0.00 C ATOM 24 O SER A 3 -16.801 -17.566 -4.337 1.00 0.00 O ATOM 25 CB SER A 3 -18.733 -15.882 -2.903 1.00 0.00 C ATOM 26 OG SER A 3 -19.677 -14.897 -2.521 1.00 0.00 O ATOM 0 H SER A 3 -19.376 -15.108 -5.907 1.00 0.00 H new ATOM 0 HA SER A 3 -17.921 -14.506 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.212 -16.861 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.936 -15.933 -2.162 1.00 0.00 H new ATOM 0 HG SER A 3 -20.043 -15.119 -1.640 1.00 0.00 H new ATOM 32 N GLY A 4 -15.765 -15.617 -4.774 1.00 0.00 N ATOM 33 CA GLY A 4 -14.472 -16.248 -4.975 1.00 0.00 C ATOM 34 C GLY A 4 -13.937 -16.035 -6.377 1.00 0.00 C ATOM 35 O GLY A 4 -13.538 -16.987 -7.047 1.00 0.00 O ATOM 0 H GLY A 4 -15.769 -14.603 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.760 -15.849 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.558 -17.317 -4.780 1.00 0.00 H new ATOM 39 N SER A 5 -13.928 -14.782 -6.821 1.00 0.00 N ATOM 40 CA SER A 5 -13.437 -14.445 -8.153 1.00 0.00 C ATOM 41 C SER A 5 -12.313 -13.418 -8.075 1.00 0.00 C ATOM 42 O SER A 5 -12.154 -12.589 -8.970 1.00 0.00 O ATOM 43 CB SER A 5 -14.578 -13.906 -9.017 1.00 0.00 C ATOM 44 OG SER A 5 -14.467 -14.365 -10.354 1.00 0.00 O ATOM 0 H SER A 5 -14.255 -13.983 -6.278 1.00 0.00 H new ATOM 0 HA SER A 5 -13.043 -15.353 -8.609 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.534 -14.221 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.567 -12.816 -9.001 1.00 0.00 H new ATOM 0 HG SER A 5 -15.209 -14.008 -10.885 1.00 0.00 H new ATOM 50 N SER A 6 -11.536 -13.479 -6.997 1.00 0.00 N ATOM 51 CA SER A 6 -10.423 -12.555 -6.797 1.00 0.00 C ATOM 52 C SER A 6 -10.931 -11.137 -6.551 1.00 0.00 C ATOM 53 O SER A 6 -10.826 -10.615 -5.441 1.00 0.00 O ATOM 54 CB SER A 6 -9.486 -12.572 -8.008 1.00 0.00 C ATOM 55 OG SER A 6 -9.665 -13.751 -8.775 1.00 0.00 O ATOM 0 H SER A 6 -11.657 -14.160 -6.247 1.00 0.00 H new ATOM 0 HA SER A 6 -9.869 -12.882 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.675 -11.697 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.451 -12.507 -7.672 1.00 0.00 H new ATOM 0 HG SER A 6 -9.057 -13.737 -9.543 1.00 0.00 H new ATOM 61 N GLY A 7 -11.479 -10.520 -7.591 1.00 0.00 N ATOM 62 CA GLY A 7 -11.994 -9.169 -7.467 1.00 0.00 C ATOM 63 C GLY A 7 -11.128 -8.149 -8.179 1.00 0.00 C ATOM 64 O GLY A 7 -11.375 -7.817 -9.339 1.00 0.00 O ATOM 0 H GLY A 7 -11.576 -10.932 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.004 -9.130 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.065 -8.906 -6.411 1.00 0.00 H new ATOM 68 N ALA A 8 -10.112 -7.651 -7.484 1.00 0.00 N ATOM 69 CA ALA A 8 -9.206 -6.662 -8.057 1.00 0.00 C ATOM 70 C ALA A 8 -8.199 -7.319 -8.996 1.00 0.00 C ATOM 71 O ALA A 8 -8.263 -8.522 -9.246 1.00 0.00 O ATOM 72 CB ALA A 8 -8.484 -5.905 -6.953 1.00 0.00 C ATOM 0 H ALA A 8 -9.895 -7.916 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.799 -5.956 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.811 -5.170 -7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.214 -5.396 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.909 -6.606 -6.348 1.00 0.00 H new ATOM 78 N ALA A 9 -7.270 -6.520 -9.512 1.00 0.00 N ATOM 79 CA ALA A 9 -6.251 -7.024 -10.423 1.00 0.00 C ATOM 80 C ALA A 9 -4.853 -6.631 -9.954 1.00 0.00 C ATOM 81 O ALA A 9 -4.174 -5.828 -10.594 1.00 0.00 O ATOM 82 CB ALA A 9 -6.502 -6.509 -11.833 1.00 0.00 C ATOM 0 H ALA A 9 -7.203 -5.522 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.311 -8.112 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.733 -6.893 -12.503 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.481 -6.845 -12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.472 -5.419 -11.833 1.00 0.00 H new ATOM 88 N GLU A 10 -4.429 -7.202 -8.832 1.00 0.00 N ATOM 89 CA GLU A 10 -3.113 -6.912 -8.276 1.00 0.00 C ATOM 90 C GLU A 10 -2.617 -8.070 -7.414 1.00 0.00 C ATOM 91 O GLU A 10 -3.345 -9.034 -7.178 1.00 0.00 O ATOM 92 CB GLU A 10 -3.159 -5.627 -7.447 1.00 0.00 C ATOM 93 CG GLU A 10 -2.747 -4.387 -8.224 1.00 0.00 C ATOM 94 CD GLU A 10 -1.267 -4.367 -8.551 1.00 0.00 C ATOM 95 OE1 GLU A 10 -0.451 -4.481 -7.612 1.00 0.00 O ATOM 96 OE2 GLU A 10 -0.925 -4.238 -9.745 1.00 0.00 O ATOM 0 H GLU A 10 -4.978 -7.869 -8.290 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.418 -6.778 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.170 -5.487 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.504 -5.738 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.320 -4.336 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.999 -3.499 -7.644 1.00 0.00 H new ATOM 103 N VAL A 11 -1.377 -7.968 -6.949 1.00 0.00 N ATOM 104 CA VAL A 11 -0.786 -9.006 -6.114 1.00 0.00 C ATOM 105 C VAL A 11 0.183 -8.409 -5.099 1.00 0.00 C ATOM 106 O VAL A 11 1.056 -7.616 -5.451 1.00 0.00 O ATOM 107 CB VAL A 11 -0.041 -10.054 -6.962 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.027 -10.929 -7.718 1.00 0.00 C ATOM 109 CG2 VAL A 11 0.926 -9.374 -7.920 1.00 0.00 C ATOM 0 H VAL A 11 -0.762 -7.176 -7.136 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.607 -9.493 -5.587 1.00 0.00 H new ATOM 0 HB VAL A 11 0.535 -10.694 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.482 -11.663 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.674 -11.445 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.633 -10.308 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.444 -10.129 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.373 -8.709 -8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.655 -8.796 -7.352 1.00 0.00 H new ATOM 119 N GLY A 12 0.022 -8.794 -3.837 1.00 0.00 N ATOM 120 CA GLY A 12 0.891 -8.288 -2.790 1.00 0.00 C ATOM 121 C GLY A 12 2.232 -8.992 -2.759 1.00 0.00 C ATOM 122 O GLY A 12 2.429 -9.998 -3.439 1.00 0.00 O ATOM 0 H GLY A 12 -0.695 -9.447 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.048 -7.220 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.399 -8.407 -1.825 1.00 0.00 H new ATOM 126 N ASP A 13 3.158 -8.461 -1.967 1.00 0.00 N ATOM 127 CA ASP A 13 4.489 -9.046 -1.850 1.00 0.00 C ATOM 128 C ASP A 13 4.491 -10.199 -0.851 1.00 0.00 C ATOM 129 O ASP A 13 3.460 -10.525 -0.262 1.00 0.00 O ATOM 130 CB ASP A 13 5.501 -7.982 -1.421 1.00 0.00 C ATOM 131 CG ASP A 13 6.226 -7.364 -2.601 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.774 -8.126 -3.426 1.00 0.00 O ATOM 133 OD2 ASP A 13 6.246 -6.119 -2.700 1.00 0.00 O ATOM 0 H ASP A 13 3.012 -7.628 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 13 4.774 -9.436 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.987 -7.199 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.229 -8.429 -0.744 1.00 0.00 H new ATOM 138 N ASP A 14 5.655 -10.813 -0.665 1.00 0.00 N ATOM 139 CA ASP A 14 5.790 -11.931 0.263 1.00 0.00 C ATOM 140 C ASP A 14 6.504 -11.496 1.538 1.00 0.00 C ATOM 141 O ASP A 14 7.240 -12.273 2.145 1.00 0.00 O ATOM 142 CB ASP A 14 6.555 -13.079 -0.398 1.00 0.00 C ATOM 143 CG ASP A 14 5.681 -13.892 -1.333 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.449 -13.907 -1.133 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.230 -14.513 -2.267 1.00 0.00 O ATOM 0 H ASP A 14 6.518 -10.556 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 14 4.790 -12.275 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.401 -12.676 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.963 -13.732 0.373 1.00 0.00 H new ATOM 150 N PHE A 15 6.279 -10.249 1.940 1.00 0.00 N ATOM 151 CA PHE A 15 6.901 -9.711 3.144 1.00 0.00 C ATOM 152 C PHE A 15 6.393 -8.302 3.434 1.00 0.00 C ATOM 153 O PHE A 15 6.083 -7.542 2.517 1.00 0.00 O ATOM 154 CB PHE A 15 8.423 -9.696 2.997 1.00 0.00 C ATOM 155 CG PHE A 15 9.150 -9.453 4.288 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.018 -10.336 5.348 1.00 0.00 C ATOM 157 CD2 PHE A 15 9.962 -8.342 4.444 1.00 0.00 C ATOM 158 CE1 PHE A 15 9.684 -10.116 6.539 1.00 0.00 C ATOM 159 CE2 PHE A 15 10.631 -8.116 5.632 1.00 0.00 C ATOM 160 CZ PHE A 15 10.492 -9.004 6.681 1.00 0.00 C ATOM 0 H PHE A 15 5.671 -9.593 1.450 1.00 0.00 H new ATOM 0 HA PHE A 15 6.632 -10.356 3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.749 -10.649 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.703 -8.923 2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.387 -11.206 5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.074 -7.644 3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.573 -10.812 7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.262 -7.246 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.014 -8.830 7.610 1.00 0.00 H new ATOM 170 N LEU A 16 6.311 -7.961 4.717 1.00 0.00 N ATOM 171 CA LEU A 16 5.840 -6.643 5.128 1.00 0.00 C ATOM 172 C LEU A 16 7.013 -5.724 5.453 1.00 0.00 C ATOM 173 O LEU A 16 7.938 -6.111 6.167 1.00 0.00 O ATOM 174 CB LEU A 16 4.917 -6.765 6.344 1.00 0.00 C ATOM 175 CG LEU A 16 3.428 -6.872 6.015 1.00 0.00 C ATOM 176 CD1 LEU A 16 2.628 -7.204 7.266 1.00 0.00 C ATOM 177 CD2 LEU A 16 2.927 -5.580 5.388 1.00 0.00 C ATOM 0 H LEU A 16 6.564 -8.578 5.488 1.00 0.00 H new ATOM 0 HA LEU A 16 5.281 -6.208 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.211 -7.644 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.071 -5.898 6.987 1.00 0.00 H new ATOM 0 HG LEU A 16 3.291 -7.679 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.570 -7.276 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.969 -8.155 7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.771 -6.419 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.865 -5.674 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.077 -4.755 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.479 -5.384 4.469 1.00 0.00 H new ATOM 189 N GLY A 17 6.967 -4.506 4.926 1.00 0.00 N ATOM 190 CA GLY A 17 8.032 -3.550 5.171 1.00 0.00 C ATOM 191 C GLY A 17 8.138 -3.162 6.632 1.00 0.00 C ATOM 192 O GLY A 17 7.394 -3.669 7.472 1.00 0.00 O ATOM 0 H GLY A 17 6.211 -4.163 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.980 -3.975 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.858 -2.656 4.572 1.00 0.00 H new ATOM 196 N ASP A 18 9.063 -2.258 6.937 1.00 0.00 N ATOM 197 CA ASP A 18 9.264 -1.801 8.307 1.00 0.00 C ATOM 198 C ASP A 18 8.529 -0.487 8.555 1.00 0.00 C ATOM 199 O ASP A 18 9.042 0.405 9.231 1.00 0.00 O ATOM 200 CB ASP A 18 10.757 -1.627 8.594 1.00 0.00 C ATOM 201 CG ASP A 18 11.107 -1.932 10.038 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.391 -1.444 10.938 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.097 -2.658 10.268 1.00 0.00 O ATOM 0 H ASP A 18 9.686 -1.827 6.253 1.00 0.00 H new ATOM 0 HA ASP A 18 8.857 -2.556 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.329 -2.283 7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.053 -0.604 8.359 1.00 0.00 H new ATOM 208 N PHE A 19 7.325 -0.376 8.004 1.00 0.00 N ATOM 209 CA PHE A 19 6.519 0.828 8.165 1.00 0.00 C ATOM 210 C PHE A 19 5.518 0.665 9.305 1.00 0.00 C ATOM 211 O PHE A 19 5.327 -0.434 9.824 1.00 0.00 O ATOM 212 CB PHE A 19 5.782 1.151 6.864 1.00 0.00 C ATOM 213 CG PHE A 19 6.695 1.330 5.686 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.213 0.231 5.020 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.035 2.598 5.242 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.054 0.393 3.936 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.875 2.766 4.159 1.00 0.00 C ATOM 218 CZ PHE A 19 8.386 1.662 3.504 1.00 0.00 C ATOM 0 H PHE A 19 6.886 -1.105 7.442 1.00 0.00 H new ATOM 0 HA PHE A 19 7.188 1.653 8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.076 0.350 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.199 2.061 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.956 -0.764 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.638 3.465 5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.452 -0.472 3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.132 3.760 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.043 1.791 2.657 1.00 0.00 H new ATOM 228 N VAL A 20 4.880 1.767 9.688 1.00 0.00 N ATOM 229 CA VAL A 20 3.899 1.746 10.764 1.00 0.00 C ATOM 230 C VAL A 20 2.648 2.531 10.385 1.00 0.00 C ATOM 231 O VAL A 20 2.597 3.164 9.330 1.00 0.00 O ATOM 232 CB VAL A 20 4.481 2.329 12.066 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.446 1.346 12.708 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.164 3.660 11.797 1.00 0.00 C ATOM 0 H VAL A 20 5.026 2.685 9.268 1.00 0.00 H new ATOM 0 HA VAL A 20 3.633 0.702 10.928 1.00 0.00 H new ATOM 0 HB VAL A 20 3.661 2.503 12.762 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.846 1.776 13.626 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.921 0.420 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.264 1.136 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.569 4.056 12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.974 3.515 11.082 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.440 4.364 11.388 1.00 0.00 H new ATOM 244 N VAL A 21 1.641 2.485 11.250 1.00 0.00 N ATOM 245 CA VAL A 21 0.390 3.193 11.004 1.00 0.00 C ATOM 246 C VAL A 21 0.450 4.617 11.544 1.00 0.00 C ATOM 247 O VAL A 21 0.479 4.831 12.756 1.00 0.00 O ATOM 248 CB VAL A 21 -0.806 2.462 11.645 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.116 3.126 11.247 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.806 0.991 11.256 1.00 0.00 C ATOM 0 H VAL A 21 1.666 1.965 12.127 1.00 0.00 H new ATOM 0 HA VAL A 21 0.250 3.222 9.923 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.707 2.527 12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.948 2.595 11.710 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.115 4.163 11.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.224 3.096 10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.658 0.492 11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.878 0.901 10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.117 0.524 11.599 1.00 0.00 H new ATOM 260 N GLY A 22 0.468 5.589 10.638 1.00 0.00 N ATOM 261 CA GLY A 22 0.523 6.982 11.043 1.00 0.00 C ATOM 262 C GLY A 22 1.623 7.748 10.334 1.00 0.00 C ATOM 263 O GLY A 22 1.521 8.960 10.144 1.00 0.00 O ATOM 0 H GLY A 22 0.445 5.437 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.437 7.456 10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.681 7.038 12.120 1.00 0.00 H new ATOM 267 N GLU A 23 2.677 7.040 9.941 1.00 0.00 N ATOM 268 CA GLU A 23 3.800 7.662 9.248 1.00 0.00 C ATOM 269 C GLU A 23 3.464 7.913 7.782 1.00 0.00 C ATOM 270 O GLU A 23 2.525 7.330 7.241 1.00 0.00 O ATOM 271 CB GLU A 23 5.044 6.777 9.355 1.00 0.00 C ATOM 272 CG GLU A 23 4.848 5.381 8.786 1.00 0.00 C ATOM 273 CD GLU A 23 6.126 4.801 8.214 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.569 5.277 7.147 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.685 3.871 8.832 1.00 0.00 O ATOM 0 H GLU A 23 2.777 6.036 10.090 1.00 0.00 H new ATOM 0 HA GLU A 23 4.003 8.622 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.870 7.261 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.333 6.696 10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.473 4.722 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.087 5.414 8.006 1.00 0.00 H new ATOM 282 N ARG A 24 4.240 8.784 7.144 1.00 0.00 N ATOM 283 CA ARG A 24 4.025 9.113 5.740 1.00 0.00 C ATOM 284 C ARG A 24 4.930 8.276 4.841 1.00 0.00 C ATOM 285 O ARG A 24 6.062 7.958 5.206 1.00 0.00 O ATOM 286 CB ARG A 24 4.283 10.601 5.497 1.00 0.00 C ATOM 287 CG ARG A 24 3.177 11.504 6.019 1.00 0.00 C ATOM 288 CD ARG A 24 1.897 11.338 5.216 1.00 0.00 C ATOM 289 NE ARG A 24 1.738 12.391 4.215 1.00 0.00 N ATOM 290 CZ ARG A 24 1.548 13.675 4.515 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.491 14.067 5.781 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.413 14.568 3.544 1.00 0.00 N ATOM 0 H ARG A 24 5.023 9.274 7.577 1.00 0.00 H new ATOM 0 HA ARG A 24 2.987 8.886 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.223 10.880 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.404 10.770 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.983 11.275 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.503 12.543 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.902 10.366 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.042 11.348 5.891 1.00 0.00 H new ATOM 0 HE ARG A 24 1.775 12.128 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.593 13.384 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.345 15.052 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.455 14.271 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.267 15.551 3.772 1.00 0.00 H new ATOM 306 N VAL A 25 4.424 7.922 3.665 1.00 0.00 N ATOM 307 CA VAL A 25 5.186 7.122 2.714 1.00 0.00 C ATOM 308 C VAL A 25 4.822 7.482 1.278 1.00 0.00 C ATOM 309 O VAL A 25 3.661 7.746 0.967 1.00 0.00 O ATOM 310 CB VAL A 25 4.951 5.616 2.929 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.495 5.178 4.279 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.471 5.283 2.809 1.00 0.00 C ATOM 0 H VAL A 25 3.489 8.177 3.347 1.00 0.00 H new ATOM 0 HA VAL A 25 6.239 7.345 2.887 1.00 0.00 H new ATOM 0 HB VAL A 25 5.487 5.070 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.320 4.111 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.566 5.378 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.990 5.731 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.325 4.214 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.911 5.839 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.116 5.557 1.816 1.00 0.00 H new ATOM 322 N TRP A 26 5.823 7.491 0.403 1.00 0.00 N ATOM 323 CA TRP A 26 5.608 7.820 -1.001 1.00 0.00 C ATOM 324 C TRP A 26 5.322 6.563 -1.816 1.00 0.00 C ATOM 325 O TRP A 26 6.069 5.586 -1.754 1.00 0.00 O ATOM 326 CB TRP A 26 6.829 8.544 -1.570 1.00 0.00 C ATOM 327 CG TRP A 26 6.802 10.024 -1.337 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.669 11.000 -2.282 1.00 0.00 C ATOM 329 CD2 TRP A 26 6.912 10.697 -0.077 1.00 0.00 C ATOM 330 NE1 TRP A 26 6.688 12.239 -1.688 1.00 0.00 N ATOM 331 CE2 TRP A 26 6.837 12.079 -0.334 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.066 10.264 1.242 1.00 0.00 C ATOM 333 CZ2 TRP A 26 6.911 13.030 0.680 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.140 11.210 2.248 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.060 12.578 1.962 1.00 0.00 C ATOM 0 H TRP A 26 6.791 7.274 0.642 1.00 0.00 H new ATOM 0 HA TRP A 26 4.742 8.478 -1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.731 8.129 -1.121 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.890 8.353 -2.641 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.564 10.824 -3.342 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.605 13.132 -2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.126 9.210 1.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.853 14.086 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.262 10.888 3.272 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.117 13.291 2.771 1.00 0.00 H new ATOM 346 N VAL A 27 4.235 6.596 -2.582 1.00 0.00 N ATOM 347 CA VAL A 27 3.850 5.461 -3.411 1.00 0.00 C ATOM 348 C VAL A 27 4.465 5.565 -4.803 1.00 0.00 C ATOM 349 O VAL A 27 4.125 6.460 -5.577 1.00 0.00 O ATOM 350 CB VAL A 27 2.318 5.358 -3.546 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.929 4.068 -4.252 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.655 5.449 -2.181 1.00 0.00 C ATOM 0 H VAL A 27 3.606 7.397 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 27 4.225 4.565 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 27 1.968 6.195 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.844 4.013 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.373 4.050 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.291 3.215 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.574 5.374 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.010 4.635 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.906 6.403 -1.718 1.00 0.00 H new ATOM 362 N ASN A 28 5.371 4.644 -5.115 1.00 0.00 N ATOM 363 CA ASN A 28 6.034 4.632 -6.413 1.00 0.00 C ATOM 364 C ASN A 28 6.791 5.935 -6.651 1.00 0.00 C ATOM 365 O ASN A 28 6.958 6.368 -7.791 1.00 0.00 O ATOM 366 CB ASN A 28 5.010 4.413 -7.529 1.00 0.00 C ATOM 367 CG ASN A 28 4.865 2.950 -7.901 1.00 0.00 C ATOM 368 OD1 ASN A 28 5.853 2.227 -8.020 1.00 0.00 O ATOM 369 ND2 ASN A 28 3.626 2.508 -8.089 1.00 0.00 N ATOM 0 H ASN A 28 5.663 3.896 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 28 6.751 3.811 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.042 4.802 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.309 4.981 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.465 1.533 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.836 3.143 -7.979 1.00 0.00 H new ATOM 376 N GLY A 29 7.248 6.556 -5.567 1.00 0.00 N ATOM 377 CA GLY A 29 7.982 7.802 -5.681 1.00 0.00 C ATOM 378 C GLY A 29 7.180 8.889 -6.370 1.00 0.00 C ATOM 379 O GLY A 29 7.738 9.724 -7.082 1.00 0.00 O ATOM 0 H GLY A 29 7.123 6.218 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.269 8.143 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.903 7.627 -6.237 1.00 0.00 H new ATOM 383 N VAL A 30 5.868 8.878 -6.159 1.00 0.00 N ATOM 384 CA VAL A 30 4.989 9.869 -6.767 1.00 0.00 C ATOM 385 C VAL A 30 4.493 10.873 -5.733 1.00 0.00 C ATOM 386 O VAL A 30 4.838 12.054 -5.784 1.00 0.00 O ATOM 387 CB VAL A 30 3.774 9.204 -7.443 1.00 0.00 C ATOM 388 CG1 VAL A 30 2.979 10.228 -8.239 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.222 8.056 -8.334 1.00 0.00 C ATOM 0 H VAL A 30 5.391 8.194 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 30 5.577 10.390 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 30 3.125 8.799 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.125 9.740 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.626 11.013 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.616 10.665 -9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.351 7.598 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.893 8.434 -9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.744 7.311 -7.733 1.00 0.00 H new ATOM 399 N LYS A 31 3.682 10.396 -4.793 1.00 0.00 N ATOM 400 CA LYS A 31 3.139 11.254 -3.746 1.00 0.00 C ATOM 401 C LYS A 31 3.083 10.516 -2.411 1.00 0.00 C ATOM 402 O LYS A 31 2.912 9.296 -2.373 1.00 0.00 O ATOM 403 CB LYS A 31 1.740 11.742 -4.131 1.00 0.00 C ATOM 404 CG LYS A 31 1.671 12.350 -5.522 1.00 0.00 C ATOM 405 CD LYS A 31 0.742 13.553 -5.559 1.00 0.00 C ATOM 406 CE LYS A 31 0.426 13.970 -6.987 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.274 15.283 -7.040 1.00 0.00 N ATOM 0 H LYS A 31 3.387 9.421 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 31 3.800 12.114 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.044 10.905 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.409 12.482 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.670 12.650 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.324 11.599 -6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.184 13.315 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.203 14.386 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.351 14.028 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.195 13.208 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.472 15.531 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.169 15.221 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.329 16.015 -6.613 1.00 0.00 H new ATOM 421 N PRO A 32 3.227 11.247 -1.292 1.00 0.00 N ATOM 422 CA PRO A 32 3.193 10.656 0.048 1.00 0.00 C ATOM 423 C PRO A 32 1.789 10.220 0.455 1.00 0.00 C ATOM 424 O PRO A 32 0.799 10.645 -0.140 1.00 0.00 O ATOM 425 CB PRO A 32 3.681 11.792 0.948 1.00 0.00 C ATOM 426 CG PRO A 32 3.314 13.036 0.215 1.00 0.00 C ATOM 427 CD PRO A 32 3.435 12.708 -1.248 1.00 0.00 C ATOM 0 HA PRO A 32 3.800 9.753 0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.205 11.754 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.757 11.732 1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.300 13.349 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.976 13.858 0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.689 13.238 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.412 12.986 -1.642 1.00 0.00 H new ATOM 435 N GLY A 33 1.711 9.370 1.475 1.00 0.00 N ATOM 436 CA GLY A 33 0.425 8.892 1.945 1.00 0.00 C ATOM 437 C GLY A 33 0.472 8.429 3.389 1.00 0.00 C ATOM 438 O GLY A 33 1.549 8.193 3.937 1.00 0.00 O ATOM 0 H GLY A 33 2.516 9.004 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.314 9.687 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.094 8.068 1.313 1.00 0.00 H new ATOM 442 N VAL A 34 -0.698 8.297 4.004 1.00 0.00 N ATOM 443 CA VAL A 34 -0.785 7.861 5.392 1.00 0.00 C ATOM 444 C VAL A 34 -1.112 6.374 5.481 1.00 0.00 C ATOM 445 O VAL A 34 -2.128 5.918 4.955 1.00 0.00 O ATOM 446 CB VAL A 34 -1.855 8.655 6.166 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.785 8.338 7.651 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.693 10.147 5.923 1.00 0.00 C ATOM 0 H VAL A 34 -1.598 8.486 3.563 1.00 0.00 H new ATOM 0 HA VAL A 34 0.190 8.045 5.842 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.838 8.356 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.548 8.908 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.956 7.272 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.800 8.606 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.457 10.691 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.706 10.465 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.799 10.356 4.859 1.00 0.00 H new ATOM 458 N VAL A 35 -0.244 5.621 6.149 1.00 0.00 N ATOM 459 CA VAL A 35 -0.442 4.185 6.307 1.00 0.00 C ATOM 460 C VAL A 35 -1.506 3.890 7.357 1.00 0.00 C ATOM 461 O VAL A 35 -1.296 4.115 8.549 1.00 0.00 O ATOM 462 CB VAL A 35 0.869 3.478 6.705 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.683 1.968 6.709 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.001 3.881 5.773 1.00 0.00 C ATOM 0 H VAL A 35 0.603 5.981 6.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.773 3.802 5.342 1.00 0.00 H new ATOM 0 HB VAL A 35 1.134 3.791 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.619 1.487 6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.094 1.699 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.391 1.635 5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.917 3.371 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.747 3.602 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.152 4.959 5.828 1.00 0.00 H new ATOM 474 N GLN A 36 -2.650 3.385 6.907 1.00 0.00 N ATOM 475 CA GLN A 36 -3.749 3.060 7.809 1.00 0.00 C ATOM 476 C GLN A 36 -3.820 1.557 8.060 1.00 0.00 C ATOM 477 O GLN A 36 -3.939 1.113 9.202 1.00 0.00 O ATOM 478 CB GLN A 36 -5.075 3.555 7.230 1.00 0.00 C ATOM 479 CG GLN A 36 -5.302 5.046 7.417 1.00 0.00 C ATOM 480 CD GLN A 36 -5.987 5.372 8.730 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.192 5.618 8.771 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.219 5.375 9.814 1.00 0.00 N ATOM 0 H GLN A 36 -2.840 3.192 5.924 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.566 3.561 8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.107 3.322 6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.893 3.010 7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.344 5.564 7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.907 5.424 6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.224 5.165 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.624 5.587 10.726 1.00 0.00 H new ATOM 491 N TYR A 37 -3.748 0.778 6.986 1.00 0.00 N ATOM 492 CA TYR A 37 -3.804 -0.675 7.089 1.00 0.00 C ATOM 493 C TYR A 37 -2.434 -1.294 6.828 1.00 0.00 C ATOM 494 O TYR A 37 -1.633 -0.753 6.067 1.00 0.00 O ATOM 495 CB TYR A 37 -4.827 -1.238 6.101 1.00 0.00 C ATOM 496 CG TYR A 37 -5.569 -2.448 6.622 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.641 -2.309 7.495 1.00 0.00 C ATOM 498 CD2 TYR A 37 -5.198 -3.732 6.238 1.00 0.00 C ATOM 499 CE1 TYR A 37 -7.320 -3.412 7.973 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.874 -4.840 6.711 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.934 -4.675 7.577 1.00 0.00 C ATOM 502 OH TYR A 37 -7.609 -5.778 8.051 1.00 0.00 O ATOM 0 H TYR A 37 -3.651 1.129 6.033 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.110 -0.930 8.104 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.548 -0.459 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.317 -1.506 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.948 -1.321 7.805 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.368 -3.865 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.149 -3.286 8.654 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.574 -5.831 6.404 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.212 -6.591 7.674 1.00 0.00 H new ATOM 512 N LEU A 38 -2.174 -2.431 7.465 1.00 0.00 N ATOM 513 CA LEU A 38 -0.902 -3.124 7.301 1.00 0.00 C ATOM 514 C LEU A 38 -1.060 -4.619 7.560 1.00 0.00 C ATOM 515 O LEU A 38 -1.092 -5.061 8.709 1.00 0.00 O ATOM 516 CB LEU A 38 0.148 -2.538 8.248 1.00 0.00 C ATOM 517 CG LEU A 38 0.941 -1.358 7.685 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.744 -0.681 8.784 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.857 -1.822 6.561 1.00 0.00 C ATOM 0 H LEU A 38 -2.827 -2.892 8.099 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.571 -2.985 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.349 -2.218 9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.847 -3.327 8.524 1.00 0.00 H new ATOM 0 HG LEU A 38 0.237 -0.631 7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.302 0.156 8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.067 -0.315 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.440 -1.398 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.414 -0.970 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.554 -2.567 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.259 -2.261 5.762 1.00 0.00 H new ATOM 531 N GLY A 39 -1.157 -5.394 6.485 1.00 0.00 N ATOM 532 CA GLY A 39 -1.311 -6.831 6.617 1.00 0.00 C ATOM 533 C GLY A 39 -1.797 -7.482 5.338 1.00 0.00 C ATOM 534 O GLY A 39 -1.692 -6.900 4.258 1.00 0.00 O ATOM 0 H GLY A 39 -1.132 -5.052 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.356 -7.271 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.016 -7.045 7.421 1.00 0.00 H new ATOM 538 N GLU A 40 -2.328 -8.694 5.457 1.00 0.00 N ATOM 539 CA GLU A 40 -2.832 -9.426 4.301 1.00 0.00 C ATOM 540 C GLU A 40 -4.284 -9.057 4.014 1.00 0.00 C ATOM 541 O GLU A 40 -5.174 -9.320 4.823 1.00 0.00 O ATOM 542 CB GLU A 40 -2.713 -10.934 4.534 1.00 0.00 C ATOM 543 CG GLU A 40 -1.343 -11.366 5.029 1.00 0.00 C ATOM 544 CD GLU A 40 -1.352 -11.773 6.491 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.108 -11.159 7.272 1.00 0.00 O ATOM 546 OE2 GLU A 40 -0.601 -12.703 6.852 1.00 0.00 O ATOM 0 H GLU A 40 -2.421 -9.191 6.343 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.228 -9.150 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.466 -11.242 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.935 -11.456 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.990 -12.202 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.635 -10.549 4.888 1.00 0.00 H new ATOM 553 N THR A 41 -4.517 -8.447 2.857 1.00 0.00 N ATOM 554 CA THR A 41 -5.860 -8.041 2.462 1.00 0.00 C ATOM 555 C THR A 41 -6.754 -9.257 2.242 1.00 0.00 C ATOM 556 O THR A 41 -6.325 -10.397 2.426 1.00 0.00 O ATOM 557 CB THR A 41 -5.808 -7.196 1.189 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.057 -7.852 0.182 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.193 -5.829 1.402 1.00 0.00 C ATOM 0 H THR A 41 -3.792 -8.223 2.176 1.00 0.00 H new ATOM 0 HA THR A 41 -6.282 -7.443 3.269 1.00 0.00 H new ATOM 0 HB THR A 41 -6.847 -7.066 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.201 -7.391 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.187 -5.282 0.459 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.778 -5.277 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.171 -5.942 1.762 1.00 0.00 H new ATOM 567 N GLN A 42 -7.999 -9.007 1.851 1.00 0.00 N ATOM 568 CA GLN A 42 -8.954 -10.082 1.606 1.00 0.00 C ATOM 569 C GLN A 42 -9.271 -10.203 0.119 1.00 0.00 C ATOM 570 O GLN A 42 -9.552 -11.293 -0.379 1.00 0.00 O ATOM 571 CB GLN A 42 -10.241 -9.838 2.396 1.00 0.00 C ATOM 572 CG GLN A 42 -10.047 -9.876 3.903 1.00 0.00 C ATOM 573 CD GLN A 42 -9.789 -11.276 4.422 1.00 0.00 C ATOM 574 OE1 GLN A 42 -8.922 -11.990 3.916 1.00 0.00 O ATOM 575 NE2 GLN A 42 -10.543 -11.680 5.438 1.00 0.00 N ATOM 0 H GLN A 42 -8.370 -8.070 1.697 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.503 -11.017 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.651 -8.868 2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.978 -10.590 2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.210 -9.232 4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.933 -9.469 4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.250 -11.057 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.415 -12.614 5.829 1.00 0.00 H new ATOM 584 N PHE A 43 -9.225 -9.077 -0.584 1.00 0.00 N ATOM 585 CA PHE A 43 -9.508 -9.057 -2.015 1.00 0.00 C ATOM 586 C PHE A 43 -8.479 -9.879 -2.786 1.00 0.00 C ATOM 587 O PHE A 43 -8.789 -10.466 -3.822 1.00 0.00 O ATOM 588 CB PHE A 43 -9.525 -7.618 -2.534 1.00 0.00 C ATOM 589 CG PHE A 43 -8.190 -6.933 -2.456 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.216 -7.174 -3.412 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.910 -6.048 -1.426 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.988 -6.544 -3.342 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.682 -5.417 -1.352 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.720 -5.666 -2.312 1.00 0.00 C ATOM 0 H PHE A 43 -8.995 -8.166 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.491 -9.502 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.863 -7.619 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.253 -7.043 -1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.419 -7.861 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.659 -5.849 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.238 -6.739 -4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.475 -4.730 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.760 -5.174 -2.256 1.00 0.00 H new ATOM 604 N ALA A 44 -7.253 -9.913 -2.274 1.00 0.00 N ATOM 605 CA ALA A 44 -6.179 -10.663 -2.914 1.00 0.00 C ATOM 606 C ALA A 44 -5.122 -11.087 -1.897 1.00 0.00 C ATOM 607 O ALA A 44 -4.959 -10.449 -0.857 1.00 0.00 O ATOM 608 CB ALA A 44 -5.546 -9.833 -4.021 1.00 0.00 C ATOM 0 H ALA A 44 -6.979 -9.430 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.608 -11.566 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.745 -10.404 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.301 -9.585 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.137 -8.915 -3.599 1.00 0.00 H new ATOM 614 N PRO A 45 -4.388 -12.175 -2.186 1.00 0.00 N ATOM 615 CA PRO A 45 -3.343 -12.682 -1.291 1.00 0.00 C ATOM 616 C PRO A 45 -2.125 -11.768 -1.247 1.00 0.00 C ATOM 617 O PRO A 45 -2.151 -10.656 -1.773 1.00 0.00 O ATOM 618 CB PRO A 45 -2.976 -14.034 -1.905 1.00 0.00 C ATOM 619 CG PRO A 45 -3.320 -13.901 -3.348 1.00 0.00 C ATOM 620 CD PRO A 45 -4.519 -12.995 -3.406 1.00 0.00 C ATOM 0 HA PRO A 45 -3.686 -12.747 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.918 -14.256 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.534 -14.845 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.486 -13.481 -3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.544 -14.873 -3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.515 -12.380 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.450 -13.561 -3.411 1.00 0.00 H new ATOM 628 N GLY A 46 -1.056 -12.245 -0.616 1.00 0.00 N ATOM 629 CA GLY A 46 0.159 -11.457 -0.516 1.00 0.00 C ATOM 630 C GLY A 46 0.033 -10.322 0.481 1.00 0.00 C ATOM 631 O GLY A 46 -1.074 -9.909 0.826 1.00 0.00 O ATOM 0 H GLY A 46 -1.010 -13.162 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.985 -12.104 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.406 -11.050 -1.496 1.00 0.00 H new ATOM 635 N GLN A 47 1.172 -9.815 0.943 1.00 0.00 N ATOM 636 CA GLN A 47 1.185 -8.719 1.905 1.00 0.00 C ATOM 637 C GLN A 47 0.712 -7.421 1.259 1.00 0.00 C ATOM 638 O GLN A 47 0.981 -7.167 0.084 1.00 0.00 O ATOM 639 CB GLN A 47 2.591 -8.534 2.480 1.00 0.00 C ATOM 640 CG GLN A 47 3.103 -9.748 3.239 1.00 0.00 C ATOM 641 CD GLN A 47 2.359 -9.977 4.539 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.294 -9.404 4.769 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.918 -10.820 5.401 1.00 0.00 N ATOM 0 H GLN A 47 2.097 -10.145 0.667 1.00 0.00 H new ATOM 0 HA GLN A 47 0.499 -8.971 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.280 -8.307 1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.591 -7.672 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.008 -10.633 2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.165 -9.619 3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.802 -11.274 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.463 -11.013 6.293 1.00 0.00 H new ATOM 652 N TRP A 48 0.008 -6.603 2.033 1.00 0.00 N ATOM 653 CA TRP A 48 -0.503 -5.330 1.536 1.00 0.00 C ATOM 654 C TRP A 48 -0.300 -4.222 2.563 1.00 0.00 C ATOM 655 O TRP A 48 -0.135 -4.489 3.754 1.00 0.00 O ATOM 656 CB TRP A 48 -1.988 -5.454 1.189 1.00 0.00 C ATOM 657 CG TRP A 48 -2.236 -6.069 -0.153 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.419 -7.394 -0.427 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.326 -5.384 -1.408 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.618 -7.574 -1.774 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.566 -6.356 -2.397 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.228 -4.043 -1.790 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.709 -6.028 -3.744 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.371 -3.719 -3.126 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.608 -4.708 -4.089 1.00 0.00 C ATOM 0 H TRP A 48 -0.222 -6.798 3.007 1.00 0.00 H new ATOM 0 HA TRP A 48 0.054 -5.071 0.636 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.483 -6.054 1.952 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.444 -4.464 1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.409 -8.185 0.308 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.778 -8.470 -2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.044 -3.274 -1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.893 -6.788 -4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.299 -2.686 -3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.713 -4.423 -5.125 1.00 0.00 H new ATOM 676 N ALA A 49 -0.315 -2.978 2.096 1.00 0.00 N ATOM 677 CA ALA A 49 -0.132 -1.829 2.974 1.00 0.00 C ATOM 678 C ALA A 49 -1.056 -0.683 2.574 1.00 0.00 C ATOM 679 O ALA A 49 -0.769 0.059 1.635 1.00 0.00 O ATOM 680 CB ALA A 49 1.318 -1.374 2.953 1.00 0.00 C ATOM 0 H ALA A 49 -0.452 -2.740 1.114 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.389 -2.132 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.439 -0.515 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.959 -2.187 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.596 -1.093 1.937 1.00 0.00 H new ATOM 686 N GLY A 50 -2.164 -0.545 3.293 1.00 0.00 N ATOM 687 CA GLY A 50 -3.113 0.513 2.998 1.00 0.00 C ATOM 688 C GLY A 50 -2.553 1.892 3.287 1.00 0.00 C ATOM 689 O GLY A 50 -2.251 2.218 4.436 1.00 0.00 O ATOM 0 H GLY A 50 -2.422 -1.147 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.403 0.455 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.017 0.361 3.587 1.00 0.00 H new ATOM 693 N VAL A 51 -2.417 2.704 2.244 1.00 0.00 N ATOM 694 CA VAL A 51 -1.891 4.056 2.392 1.00 0.00 C ATOM 695 C VAL A 51 -2.869 5.088 1.840 1.00 0.00 C ATOM 696 O VAL A 51 -3.511 4.863 0.813 1.00 0.00 O ATOM 697 CB VAL A 51 -0.537 4.216 1.676 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.096 5.555 2.021 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.396 3.069 2.034 1.00 0.00 C ATOM 0 H VAL A 51 -2.664 2.450 1.288 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.750 4.225 3.460 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.711 4.190 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.052 5.649 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.566 6.362 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.257 5.615 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.348 3.200 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.565 3.060 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.055 2.125 1.729 1.00 0.00 H new ATOM 709 N VAL A 52 -2.979 6.220 2.528 1.00 0.00 N ATOM 710 CA VAL A 52 -3.879 7.287 2.107 1.00 0.00 C ATOM 711 C VAL A 52 -3.105 8.448 1.493 1.00 0.00 C ATOM 712 O VAL A 52 -2.466 9.225 2.202 1.00 0.00 O ATOM 713 CB VAL A 52 -4.719 7.811 3.286 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.787 8.775 2.794 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.346 6.654 4.051 1.00 0.00 C ATOM 0 H VAL A 52 -2.456 6.422 3.380 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.546 6.861 1.357 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.060 8.351 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.371 9.135 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.312 9.620 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.445 8.262 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.936 7.044 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.991 6.084 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.560 6.005 4.438 1.00 0.00 H new ATOM 725 N LEU A 53 -3.166 8.559 0.170 1.00 0.00 N ATOM 726 CA LEU A 53 -2.472 9.627 -0.540 1.00 0.00 C ATOM 727 C LEU A 53 -2.961 10.996 -0.079 1.00 0.00 C ATOM 728 O LEU A 53 -4.076 11.131 0.425 1.00 0.00 O ATOM 729 CB LEU A 53 -2.676 9.481 -2.050 1.00 0.00 C ATOM 730 CG LEU A 53 -1.915 8.322 -2.696 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.391 8.103 -4.124 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.418 8.586 -2.665 1.00 0.00 C ATOM 0 H LEU A 53 -3.689 7.923 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.409 9.547 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.740 9.352 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.373 10.409 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.116 7.416 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.839 7.275 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.456 7.869 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.220 9.008 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.108 7.752 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.199 9.503 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.089 8.693 -1.631 1.00 0.00 H new ATOM 744 N ASP A 54 -2.119 12.009 -0.255 1.00 0.00 N ATOM 745 CA ASP A 54 -2.465 13.368 0.144 1.00 0.00 C ATOM 746 C ASP A 54 -3.555 13.938 -0.758 1.00 0.00 C ATOM 747 O ASP A 54 -4.552 14.477 -0.278 1.00 0.00 O ATOM 748 CB ASP A 54 -1.227 14.267 0.096 1.00 0.00 C ATOM 749 CG ASP A 54 -0.480 14.153 -1.217 1.00 0.00 C ATOM 750 OD1 ASP A 54 0.218 13.136 -1.418 1.00 0.00 O ATOM 751 OD2 ASP A 54 -0.592 15.080 -2.047 1.00 0.00 O ATOM 0 H ASP A 54 -1.193 11.914 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.843 13.335 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.528 15.303 0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.558 14.003 0.915 1.00 0.00 H new ATOM 756 N ASP A 55 -3.359 13.815 -2.067 1.00 0.00 N ATOM 757 CA ASP A 55 -4.326 14.318 -3.036 1.00 0.00 C ATOM 758 C ASP A 55 -5.257 13.203 -3.505 1.00 0.00 C ATOM 759 O ASP A 55 -4.891 12.028 -3.487 1.00 0.00 O ATOM 760 CB ASP A 55 -3.603 14.934 -4.236 1.00 0.00 C ATOM 761 CG ASP A 55 -3.037 16.305 -3.927 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.793 17.160 -3.420 1.00 0.00 O ATOM 763 OD2 ASP A 55 -1.836 16.525 -4.194 1.00 0.00 O ATOM 0 H ASP A 55 -2.539 13.371 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.926 15.086 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.795 14.272 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.296 15.010 -5.074 1.00 0.00 H new ATOM 768 N PRO A 56 -6.480 13.560 -3.934 1.00 0.00 N ATOM 769 CA PRO A 56 -7.465 12.584 -4.409 1.00 0.00 C ATOM 770 C PRO A 56 -7.087 11.991 -5.763 1.00 0.00 C ATOM 771 O PRO A 56 -7.802 12.163 -6.750 1.00 0.00 O ATOM 772 CB PRO A 56 -8.751 13.405 -4.523 1.00 0.00 C ATOM 773 CG PRO A 56 -8.287 14.802 -4.751 1.00 0.00 C ATOM 774 CD PRO A 56 -6.997 14.940 -3.988 1.00 0.00 C ATOM 0 HA PRO A 56 -7.548 11.729 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.373 13.055 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.351 13.330 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.135 14.994 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.027 15.521 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.301 15.610 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.162 15.346 -2.990 1.00 0.00 H new ATOM 782 N VAL A 57 -5.956 11.295 -5.803 1.00 0.00 N ATOM 783 CA VAL A 57 -5.482 10.677 -7.034 1.00 0.00 C ATOM 784 C VAL A 57 -5.073 9.227 -6.802 1.00 0.00 C ATOM 785 O VAL A 57 -4.177 8.708 -7.469 1.00 0.00 O ATOM 786 CB VAL A 57 -4.285 11.447 -7.625 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.745 12.759 -8.242 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.230 11.692 -6.557 1.00 0.00 C ATOM 0 H VAL A 57 -5.351 11.145 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.311 10.708 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.838 10.840 -8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.886 13.288 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.461 12.555 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.218 13.375 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.392 12.237 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.662 12.278 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.879 10.737 -6.167 1.00 0.00 H new ATOM 798 N GLY A 58 -5.735 8.575 -5.852 1.00 0.00 N ATOM 799 CA GLY A 58 -5.427 7.190 -5.549 1.00 0.00 C ATOM 800 C GLY A 58 -6.221 6.220 -6.400 1.00 0.00 C ATOM 801 O GLY A 58 -6.073 6.189 -7.621 1.00 0.00 O ATOM 0 H GLY A 58 -6.480 8.982 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.362 7.016 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.633 6.997 -4.496 1.00 0.00 H new ATOM 805 N LYS A 59 -7.067 5.424 -5.753 1.00 0.00 N ATOM 806 CA LYS A 59 -7.889 4.448 -6.459 1.00 0.00 C ATOM 807 C LYS A 59 -9.186 4.179 -5.703 1.00 0.00 C ATOM 808 O LYS A 59 -10.276 4.474 -6.195 1.00 0.00 O ATOM 809 CB LYS A 59 -7.115 3.141 -6.650 1.00 0.00 C ATOM 810 CG LYS A 59 -6.402 3.048 -7.990 1.00 0.00 C ATOM 811 CD LYS A 59 -6.623 1.696 -8.650 1.00 0.00 C ATOM 812 CE LYS A 59 -5.890 0.588 -7.909 1.00 0.00 C ATOM 813 NZ LYS A 59 -6.596 0.194 -6.659 1.00 0.00 N ATOM 0 H LYS A 59 -7.201 5.436 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.139 4.860 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.382 3.042 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.805 2.302 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.761 3.838 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.334 3.213 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.690 1.473 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.279 1.734 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.792 -0.281 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.880 0.920 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.385 -0.801 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.275 0.797 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.621 0.310 -6.788 1.00 0.00 H new ATOM 827 N ASN A 60 -9.061 3.619 -4.504 1.00 0.00 N ATOM 828 CA ASN A 60 -10.225 3.310 -3.681 1.00 0.00 C ATOM 829 C ASN A 60 -10.407 4.354 -2.584 1.00 0.00 C ATOM 830 O ASN A 60 -9.603 5.278 -2.452 1.00 0.00 O ATOM 831 CB ASN A 60 -10.082 1.920 -3.059 1.00 0.00 C ATOM 832 CG ASN A 60 -9.677 0.871 -4.076 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.504 0.388 -4.848 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.398 0.513 -4.079 1.00 0.00 N ATOM 0 H ASN A 60 -8.167 3.370 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.106 3.324 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.339 1.956 -2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.028 1.631 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.067 -0.189 -4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.747 0.941 -3.420 1.00 0.00 H new ATOM 841 N ASP A 61 -11.469 4.204 -1.800 1.00 0.00 N ATOM 842 CA ASP A 61 -11.758 5.134 -0.714 1.00 0.00 C ATOM 843 C ASP A 61 -11.370 4.534 0.634 1.00 0.00 C ATOM 844 O ASP A 61 -10.989 5.254 1.557 1.00 0.00 O ATOM 845 CB ASP A 61 -13.242 5.503 -0.713 1.00 0.00 C ATOM 846 CG ASP A 61 -14.141 4.283 -0.734 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.366 3.730 -1.831 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.621 3.880 0.346 1.00 0.00 O ATOM 0 H ASP A 61 -12.145 3.446 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.166 6.036 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.465 6.100 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.459 6.126 -1.581 1.00 0.00 H new ATOM 853 N GLY A 62 -11.470 3.214 0.739 1.00 0.00 N ATOM 854 CA GLY A 62 -11.125 2.541 1.978 1.00 0.00 C ATOM 855 C GLY A 62 -11.592 1.098 2.004 1.00 0.00 C ATOM 856 O GLY A 62 -10.940 0.238 2.595 1.00 0.00 O ATOM 0 H GLY A 62 -11.784 2.598 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.044 2.572 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.569 3.079 2.816 1.00 0.00 H new ATOM 860 N ALA A 63 -12.725 0.834 1.362 1.00 0.00 N ATOM 861 CA ALA A 63 -13.280 -0.513 1.314 1.00 0.00 C ATOM 862 C ALA A 63 -13.142 -1.113 -0.082 1.00 0.00 C ATOM 863 O ALA A 63 -13.539 -0.501 -1.073 1.00 0.00 O ATOM 864 CB ALA A 63 -14.740 -0.498 1.744 1.00 0.00 C ATOM 0 H ALA A 63 -13.277 1.535 0.868 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.716 -1.138 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.142 -1.510 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.815 -0.118 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.310 0.146 1.074 1.00 0.00 H new ATOM 870 N VAL A 64 -12.576 -2.313 -0.151 1.00 0.00 N ATOM 871 CA VAL A 64 -12.385 -2.996 -1.425 1.00 0.00 C ATOM 872 C VAL A 64 -12.824 -4.453 -1.340 1.00 0.00 C ATOM 873 O VAL A 64 -12.153 -5.279 -0.722 1.00 0.00 O ATOM 874 CB VAL A 64 -10.914 -2.941 -1.878 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.769 -3.478 -3.293 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.378 -1.521 -1.779 1.00 0.00 C ATOM 0 H VAL A 64 -12.242 -2.833 0.660 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.003 -2.475 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.325 -3.574 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.723 -3.431 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.110 -4.513 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.370 -2.876 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.337 -1.501 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.969 -0.864 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.443 -1.179 -0.746 1.00 0.00 H new ATOM 886 N GLY A 65 -13.957 -4.762 -1.963 1.00 0.00 N ATOM 887 CA GLY A 65 -14.466 -6.121 -1.945 1.00 0.00 C ATOM 888 C GLY A 65 -15.281 -6.418 -0.700 1.00 0.00 C ATOM 889 O GLY A 65 -15.109 -7.463 -0.074 1.00 0.00 O ATOM 0 H GLY A 65 -14.531 -4.096 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.083 -6.286 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.631 -6.819 -2.004 1.00 0.00 H new ATOM 893 N GLY A 66 -16.169 -5.496 -0.344 1.00 0.00 N ATOM 894 CA GLY A 66 -17.000 -5.684 0.832 1.00 0.00 C ATOM 895 C GLY A 66 -16.183 -5.828 2.100 1.00 0.00 C ATOM 896 O GLY A 66 -16.612 -6.484 3.050 1.00 0.00 O ATOM 0 H GLY A 66 -16.328 -4.623 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.678 -4.836 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.618 -6.572 0.699 1.00 0.00 H new ATOM 900 N VAL A 67 -15.005 -5.215 2.116 1.00 0.00 N ATOM 901 CA VAL A 67 -14.125 -5.278 3.278 1.00 0.00 C ATOM 902 C VAL A 67 -13.527 -3.910 3.588 1.00 0.00 C ATOM 903 O VAL A 67 -12.631 -3.440 2.886 1.00 0.00 O ATOM 904 CB VAL A 67 -12.984 -6.289 3.064 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.199 -6.489 4.351 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.532 -7.613 2.553 1.00 0.00 C ATOM 0 H VAL A 67 -14.637 -4.668 1.338 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.735 -5.604 4.120 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.305 -5.889 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.397 -7.207 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.773 -5.537 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.864 -6.866 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.711 -8.315 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.234 -8.021 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.045 -7.453 1.604 1.00 0.00 H new ATOM 916 N ARG A 68 -14.026 -3.277 4.644 1.00 0.00 N ATOM 917 CA ARG A 68 -13.539 -1.963 5.048 1.00 0.00 C ATOM 918 C ARG A 68 -12.232 -2.083 5.825 1.00 0.00 C ATOM 919 O ARG A 68 -12.201 -2.627 6.929 1.00 0.00 O ATOM 920 CB ARG A 68 -14.591 -1.246 5.897 1.00 0.00 C ATOM 921 CG ARG A 68 -14.904 0.162 5.413 1.00 0.00 C ATOM 922 CD ARG A 68 -14.273 1.215 6.311 1.00 0.00 C ATOM 923 NE ARG A 68 -14.636 1.028 7.713 1.00 0.00 N ATOM 924 CZ ARG A 68 -15.848 1.276 8.205 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.815 1.722 7.413 1.00 0.00 N ATOM 926 NH2 ARG A 68 -16.094 1.077 9.493 1.00 0.00 N ATOM 0 H ARG A 68 -14.767 -3.652 5.236 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.351 -1.378 4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.509 -1.834 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.243 -1.198 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.539 0.286 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.984 0.306 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.188 1.175 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.588 2.206 5.984 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.919 0.687 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.632 1.877 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.742 1.910 7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.355 0.734 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.022 1.267 9.870 1.00 0.00 H new ATOM 940 N TYR A 69 -11.153 -1.571 5.241 1.00 0.00 N ATOM 941 CA TYR A 69 -9.843 -1.621 5.879 1.00 0.00 C ATOM 942 C TYR A 69 -9.600 -0.376 6.725 1.00 0.00 C ATOM 943 O TYR A 69 -9.060 -0.458 7.828 1.00 0.00 O ATOM 944 CB TYR A 69 -8.744 -1.755 4.823 1.00 0.00 C ATOM 945 CG TYR A 69 -8.920 -2.950 3.913 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.731 -2.876 2.787 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.275 -4.152 4.180 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.894 -3.966 1.953 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.433 -5.245 3.350 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.243 -5.148 2.239 1.00 0.00 C ATOM 951 OH TYR A 69 -9.403 -6.235 1.411 1.00 0.00 O ATOM 0 H TYR A 69 -11.160 -1.117 4.328 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.819 -2.493 6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.721 -0.849 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.778 -1.829 5.323 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.242 -1.952 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.640 -4.233 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.528 -3.893 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.924 -6.172 3.571 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.174 -6.088 0.824 1.00 0.00 H new ATOM 961 N PHE A 70 -10.003 0.777 6.202 1.00 0.00 N ATOM 962 CA PHE A 70 -9.829 2.040 6.910 1.00 0.00 C ATOM 963 C PHE A 70 -10.852 3.071 6.443 1.00 0.00 C ATOM 964 O PHE A 70 -11.376 2.982 5.332 1.00 0.00 O ATOM 965 CB PHE A 70 -8.413 2.577 6.696 1.00 0.00 C ATOM 966 CG PHE A 70 -8.037 2.715 5.249 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.502 3.783 4.497 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.216 1.779 4.640 1.00 0.00 C ATOM 969 CE1 PHE A 70 -8.157 3.912 3.165 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.868 1.903 3.308 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.339 2.971 2.571 1.00 0.00 C ATOM 0 H PHE A 70 -10.452 0.863 5.290 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.984 1.856 7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.325 3.549 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.703 1.911 7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.141 4.522 4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.844 0.943 5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.527 4.748 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.229 1.166 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.068 3.071 1.530 1.00 0.00 H new ATOM 981 N GLU A 71 -11.134 4.047 7.300 1.00 0.00 N ATOM 982 CA GLU A 71 -12.094 5.095 6.976 1.00 0.00 C ATOM 983 C GLU A 71 -11.381 6.383 6.577 1.00 0.00 C ATOM 984 O GLU A 71 -10.746 7.034 7.407 1.00 0.00 O ATOM 985 CB GLU A 71 -13.018 5.356 8.167 1.00 0.00 C ATOM 986 CG GLU A 71 -14.271 4.497 8.164 1.00 0.00 C ATOM 987 CD GLU A 71 -15.318 4.990 9.144 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.201 4.675 10.348 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.255 5.691 8.709 1.00 0.00 O ATOM 0 H GLU A 71 -10.711 4.134 8.224 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.692 4.756 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.467 5.177 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.308 6.407 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.696 4.484 7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.003 3.469 8.410 1.00 0.00 H new ATOM 996 N CYS A 72 -11.491 6.745 5.304 1.00 0.00 N ATOM 997 CA CYS A 72 -10.857 7.955 4.795 1.00 0.00 C ATOM 998 C CYS A 72 -11.569 8.457 3.541 1.00 0.00 C ATOM 999 O CYS A 72 -12.392 7.750 2.960 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.381 7.692 4.489 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.261 8.115 5.843 1.00 0.00 S ATOM 0 H CYS A 72 -12.014 6.217 4.605 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.929 8.725 5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.254 6.638 4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.097 8.263 3.605 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.832 7.845 6.979 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.259 9.690 3.105 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.874 10.284 1.913 1.00 0.00 C ATOM 1009 C PRO A 73 -11.782 9.368 0.697 1.00 0.00 C ATOM 1010 O PRO A 73 -11.002 8.416 0.681 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.054 11.556 1.687 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.522 11.907 3.032 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.287 10.601 3.739 1.00 0.00 C ATOM 0 HA PRO A 73 -12.940 10.467 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.247 11.385 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.671 12.359 1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.597 12.478 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.230 12.527 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.263 10.251 3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.458 10.688 4.812 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.585 9.663 -0.320 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.596 8.866 -1.541 1.00 0.00 C ATOM 1023 C ALA A 74 -11.430 9.239 -2.450 1.00 0.00 C ATOM 1024 O ALA A 74 -10.913 10.354 -2.387 1.00 0.00 O ATOM 1025 CB ALA A 74 -13.916 9.042 -2.274 1.00 0.00 C ATOM 0 H ALA A 74 -13.236 10.448 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.485 7.818 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.910 8.441 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.735 8.719 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.051 10.092 -2.534 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.021 8.299 -3.296 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.916 8.529 -4.219 1.00 0.00 C ATOM 1033 C LEU A 75 -8.634 8.863 -3.464 1.00 0.00 C ATOM 1034 O LEU A 75 -7.765 9.568 -3.977 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.262 9.662 -5.187 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.544 9.457 -5.993 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.283 10.775 -6.168 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.228 8.838 -7.347 1.00 0.00 C ATOM 0 H LEU A 75 -11.438 7.371 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.752 7.612 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.352 10.589 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.432 9.792 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.190 8.773 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.193 10.608 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.542 11.179 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.644 11.483 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.152 8.699 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.562 9.498 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.743 7.873 -7.202 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.521 8.352 -2.241 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.343 8.598 -1.416 1.00 0.00 C ATOM 1052 C GLN A 76 -6.778 7.293 -0.867 1.00 0.00 C ATOM 1053 O GLN A 76 -5.565 7.079 -0.870 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.690 9.542 -0.264 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.536 11.012 -0.616 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.648 11.917 0.596 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.537 12.765 0.673 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.744 11.741 1.552 1.00 0.00 N ATOM 0 H GLN A 76 -9.230 7.766 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.583 9.064 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.718 9.358 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.051 9.312 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.568 11.168 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.299 11.289 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.024 11.026 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.770 12.321 2.391 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.664 6.426 -0.396 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.240 5.151 0.151 1.00 0.00 C ATOM 1069 C GLY A 77 -6.705 4.212 -0.913 1.00 0.00 C ATOM 1070 O GLY A 77 -7.429 3.349 -1.409 1.00 0.00 O ATOM 0 H GLY A 77 -8.672 6.583 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.469 5.320 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.082 4.679 0.658 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.434 4.381 -1.264 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.803 3.544 -2.276 1.00 0.00 C ATOM 1076 C ILE A 78 -4.038 2.388 -1.633 1.00 0.00 C ATOM 1077 O ILE A 78 -3.395 2.558 -0.598 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.840 4.360 -3.161 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.270 3.488 -4.281 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.718 4.955 -2.322 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.170 4.201 -5.613 1.00 0.00 C ATOM 0 H ILE A 78 -4.821 5.091 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.602 3.143 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.400 5.178 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.279 3.139 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.898 2.605 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.048 5.527 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.141 5.611 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.160 4.153 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.758 3.522 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.162 4.526 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.518 5.069 -5.513 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.115 1.216 -2.255 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.430 0.035 -1.743 1.00 0.00 C ATOM 1095 C PHE A 79 -2.239 -0.330 -2.625 1.00 0.00 C ATOM 1096 O PHE A 79 -2.335 -0.318 -3.851 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.399 -1.147 -1.664 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.429 -1.007 -0.579 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.400 -0.020 -0.650 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.426 -1.862 0.511 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.348 0.111 0.347 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.372 -1.735 1.511 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.334 -0.748 1.429 1.00 0.00 C ATOM 0 H PHE A 79 -4.644 1.059 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.062 0.265 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.906 -1.256 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.830 -2.062 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.416 0.654 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.676 -2.636 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.099 0.884 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.359 -2.407 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.074 -0.648 2.209 1.00 0.00 H new ATOM 1113 N THR A 80 -1.117 -0.654 -1.990 1.00 0.00 N ATOM 1114 CA THR A 80 0.092 -1.023 -2.716 1.00 0.00 C ATOM 1115 C THR A 80 1.049 -1.801 -1.818 1.00 0.00 C ATOM 1116 O THR A 80 0.904 -1.804 -0.595 1.00 0.00 O ATOM 1117 CB THR A 80 0.785 0.227 -3.260 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.927 -0.124 -4.024 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.234 1.184 -2.176 1.00 0.00 C ATOM 0 H THR A 80 -1.020 -0.668 -0.975 1.00 0.00 H new ATOM 0 HA THR A 80 -0.195 -1.663 -3.550 1.00 0.00 H new ATOM 0 HB THR A 80 0.036 0.726 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.355 0.689 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.718 2.048 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.369 1.513 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.939 0.680 -1.515 1.00 0.00 H new ATOM 1127 N ARG A 81 2.025 -2.462 -2.432 1.00 0.00 N ATOM 1128 CA ARG A 81 3.005 -3.245 -1.688 1.00 0.00 C ATOM 1129 C ARG A 81 3.906 -2.337 -0.850 1.00 0.00 C ATOM 1130 O ARG A 81 4.331 -1.279 -1.312 1.00 0.00 O ATOM 1131 CB ARG A 81 3.855 -4.082 -2.646 1.00 0.00 C ATOM 1132 CG ARG A 81 3.035 -4.922 -3.613 1.00 0.00 C ATOM 1133 CD ARG A 81 3.891 -5.464 -4.747 1.00 0.00 C ATOM 1134 NE ARG A 81 3.434 -4.993 -6.052 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.155 -5.080 -7.167 1.00 0.00 C ATOM 1136 NH1 ARG A 81 5.367 -5.621 -7.141 1.00 0.00 N ATOM 1137 NH2 ARG A 81 3.664 -4.627 -8.312 1.00 0.00 N ATOM 0 H ARG A 81 2.158 -2.471 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 81 2.465 -3.912 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.505 -3.418 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.501 -4.740 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.574 -5.751 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.225 -4.319 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.927 -5.162 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.871 -6.554 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 81 2.507 -4.572 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.750 -5.973 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.915 -5.685 -7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.733 -4.211 -8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.217 -4.694 -9.166 1.00 0.00 H new ATOM 1151 N PRO A 82 4.211 -2.740 0.398 1.00 0.00 N ATOM 1152 CA PRO A 82 5.067 -1.952 1.292 1.00 0.00 C ATOM 1153 C PRO A 82 6.419 -1.629 0.664 1.00 0.00 C ATOM 1154 O PRO A 82 6.914 -0.508 0.775 1.00 0.00 O ATOM 1155 CB PRO A 82 5.250 -2.861 2.510 1.00 0.00 C ATOM 1156 CG PRO A 82 4.078 -3.777 2.485 1.00 0.00 C ATOM 1157 CD PRO A 82 3.750 -3.987 1.034 1.00 0.00 C ATOM 0 HA PRO A 82 4.623 -0.985 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.186 -3.416 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.280 -2.283 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.311 -4.723 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.232 -3.343 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.263 -4.859 0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.682 -4.145 0.882 1.00 0.00 H new ATOM 1165 N SER A 83 7.012 -2.620 0.005 1.00 0.00 N ATOM 1166 CA SER A 83 8.308 -2.444 -0.639 1.00 0.00 C ATOM 1167 C SER A 83 8.267 -1.304 -1.654 1.00 0.00 C ATOM 1168 O SER A 83 9.262 -0.610 -1.863 1.00 0.00 O ATOM 1169 CB SER A 83 8.737 -3.740 -1.330 1.00 0.00 C ATOM 1170 OG SER A 83 10.051 -3.631 -1.849 1.00 0.00 O ATOM 0 H SER A 83 6.615 -3.554 -0.097 1.00 0.00 H new ATOM 0 HA SER A 83 9.035 -2.191 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.690 -4.566 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.042 -3.973 -2.137 1.00 0.00 H new ATOM 0 HG SER A 83 10.302 -4.473 -2.284 1.00 0.00 H new ATOM 1176 N LYS A 84 7.111 -1.118 -2.280 1.00 0.00 N ATOM 1177 CA LYS A 84 6.940 -0.062 -3.272 1.00 0.00 C ATOM 1178 C LYS A 84 6.940 1.312 -2.611 1.00 0.00 C ATOM 1179 O LYS A 84 7.351 2.303 -3.215 1.00 0.00 O ATOM 1180 CB LYS A 84 5.639 -0.267 -4.049 1.00 0.00 C ATOM 1181 CG LYS A 84 5.534 -1.632 -4.710 1.00 0.00 C ATOM 1182 CD LYS A 84 6.256 -1.659 -6.048 1.00 0.00 C ATOM 1183 CE LYS A 84 5.374 -1.132 -7.167 1.00 0.00 C ATOM 1184 NZ LYS A 84 5.846 -1.582 -8.506 1.00 0.00 N ATOM 0 H LYS A 84 6.278 -1.684 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 84 7.780 -0.112 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.796 -0.135 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.557 0.505 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.957 -2.390 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.484 -1.887 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.164 -1.059 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.564 -2.679 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.349 -1.470 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.359 -0.043 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.217 -1.201 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.814 -1.239 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.836 -2.621 -8.546 1.00 0.00 H new ATOM 1198 N LEU A 85 6.477 1.366 -1.365 1.00 0.00 N ATOM 1199 CA LEU A 85 6.424 2.620 -0.624 1.00 0.00 C ATOM 1200 C LEU A 85 7.820 3.059 -0.194 1.00 0.00 C ATOM 1201 O LEU A 85 8.679 2.229 0.101 1.00 0.00 O ATOM 1202 CB LEU A 85 5.523 2.472 0.605 1.00 0.00 C ATOM 1203 CG LEU A 85 4.167 1.817 0.338 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.580 1.262 1.626 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.212 2.816 -0.299 1.00 0.00 C ATOM 0 H LEU A 85 6.134 0.556 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 85 6.009 3.384 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.052 1.885 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.354 3.460 1.034 1.00 0.00 H new ATOM 0 HG LEU A 85 4.313 0.989 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.615 0.800 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.257 0.516 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.446 2.072 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.251 2.335 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.071 3.663 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.629 3.167 -1.243 1.00 0.00 H new ATOM 1217 N THR A 86 8.039 4.370 -0.161 1.00 0.00 N ATOM 1218 CA THR A 86 9.330 4.920 0.232 1.00 0.00 C ATOM 1219 C THR A 86 9.161 5.981 1.316 1.00 0.00 C ATOM 1220 O THR A 86 8.065 6.498 1.528 1.00 0.00 O ATOM 1221 CB THR A 86 10.044 5.522 -0.979 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.351 6.662 -1.454 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.181 4.555 -2.134 1.00 0.00 C ATOM 0 H THR A 86 7.338 5.071 -0.402 1.00 0.00 H new ATOM 0 HA THR A 86 9.935 4.107 0.633 1.00 0.00 H new ATOM 0 HB THR A 86 11.041 5.785 -0.625 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.882 7.466 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.696 5.045 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.754 3.685 -1.814 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.191 4.237 -2.461 1.00 0.00 H new ATOM 1231 N ARG A 87 10.256 6.300 2.000 1.00 0.00 N ATOM 1232 CA ARG A 87 10.229 7.300 3.062 1.00 0.00 C ATOM 1233 C ARG A 87 10.719 8.652 2.550 1.00 0.00 C ATOM 1234 O ARG A 87 11.284 9.444 3.305 1.00 0.00 O ATOM 1235 CB ARG A 87 11.088 6.841 4.243 1.00 0.00 C ATOM 1236 CG ARG A 87 10.284 6.552 5.503 1.00 0.00 C ATOM 1237 CD ARG A 87 10.635 7.516 6.625 1.00 0.00 C ATOM 1238 NE ARG A 87 10.137 7.057 7.918 1.00 0.00 N ATOM 1239 CZ ARG A 87 10.590 7.500 9.088 1.00 0.00 C ATOM 1240 NH1 ARG A 87 11.551 8.415 9.132 1.00 0.00 N ATOM 1241 NH2 ARG A 87 10.081 7.028 10.218 1.00 0.00 N ATOM 0 H ARG A 87 11.172 5.881 1.838 1.00 0.00 H new ATOM 0 HA ARG A 87 9.198 7.414 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.635 5.943 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.829 7.609 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.219 6.624 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.473 5.529 5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.717 7.635 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.216 8.498 6.403 1.00 0.00 H new ATOM 0 HE ARG A 87 9.397 6.355 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.946 8.782 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.894 8.751 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.342 6.325 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.428 7.368 11.115 1.00 0.00 H new ATOM 1255 N GLN A 88 10.501 8.909 1.265 1.00 0.00 N ATOM 1256 CA GLN A 88 10.920 10.164 0.653 1.00 0.00 C ATOM 1257 C GLN A 88 10.449 10.245 -0.797 1.00 0.00 C ATOM 1258 O GLN A 88 10.056 9.239 -1.388 1.00 0.00 O ATOM 1259 CB GLN A 88 12.443 10.304 0.719 1.00 0.00 C ATOM 1260 CG GLN A 88 12.922 11.226 1.827 1.00 0.00 C ATOM 1261 CD GLN A 88 14.211 11.941 1.474 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.227 12.835 0.628 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.302 11.550 2.123 1.00 0.00 N ATOM 0 H GLN A 88 10.036 8.264 0.626 1.00 0.00 H new ATOM 0 HA GLN A 88 10.464 10.983 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.884 9.318 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.807 10.680 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.148 11.964 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.070 10.646 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.243 10.805 2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.199 11.995 1.928 1.00 0.00 H new ATOM 1272 N PRO A 89 10.484 11.450 -1.393 1.00 0.00 N ATOM 1273 CA PRO A 89 10.060 11.656 -2.782 1.00 0.00 C ATOM 1274 C PRO A 89 11.015 11.008 -3.779 1.00 0.00 C ATOM 1275 O PRO A 89 11.803 11.691 -4.434 1.00 0.00 O ATOM 1276 CB PRO A 89 10.074 13.179 -2.936 1.00 0.00 C ATOM 1277 CG PRO A 89 11.051 13.656 -1.918 1.00 0.00 C ATOM 1278 CD PRO A 89 10.941 12.703 -0.760 1.00 0.00 C ATOM 0 HA PRO A 89 9.089 11.205 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.376 13.472 -3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.085 13.603 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.063 13.664 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.824 14.676 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.898 12.572 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.231 13.058 -0.013 1.00 0.00 H new ATOM 1286 N SER A 90 10.938 9.686 -3.888 1.00 0.00 N ATOM 1287 CA SER A 90 11.796 8.944 -4.806 1.00 0.00 C ATOM 1288 C SER A 90 13.267 9.147 -4.457 1.00 0.00 C ATOM 1289 O SER A 90 13.962 9.941 -5.091 1.00 0.00 O ATOM 1290 CB SER A 90 11.532 9.382 -6.248 1.00 0.00 C ATOM 1291 OG SER A 90 10.873 8.361 -6.979 1.00 0.00 O ATOM 0 H SER A 90 10.291 9.106 -3.353 1.00 0.00 H new ATOM 0 HA SER A 90 11.563 7.884 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.924 10.286 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.475 9.631 -6.734 1.00 0.00 H new ATOM 0 HG SER A 90 10.714 8.666 -7.897 1.00 0.00 H new ATOM 1297 N GLY A 91 13.736 8.423 -3.446 1.00 0.00 N ATOM 1298 CA GLY A 91 15.121 8.537 -3.031 1.00 0.00 C ATOM 1299 C GLY A 91 15.786 7.185 -2.845 1.00 0.00 C ATOM 1300 O GLY A 91 15.103 6.164 -2.761 1.00 0.00 O ATOM 0 H GLY A 91 13.181 7.759 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.674 9.111 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.172 9.095 -2.096 1.00 0.00 H new ATOM 1304 N PRO A 92 17.127 7.146 -2.777 1.00 0.00 N ATOM 1305 CA PRO A 92 17.874 5.896 -2.598 1.00 0.00 C ATOM 1306 C PRO A 92 17.374 5.088 -1.405 1.00 0.00 C ATOM 1307 O PRO A 92 16.942 5.652 -0.399 1.00 0.00 O ATOM 1308 CB PRO A 92 19.310 6.368 -2.360 1.00 0.00 C ATOM 1309 CG PRO A 92 19.384 7.701 -3.021 1.00 0.00 C ATOM 1310 CD PRO A 92 18.021 8.316 -2.868 1.00 0.00 C ATOM 0 HA PRO A 92 17.767 5.233 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.532 6.441 -1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.032 5.673 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 92 20.148 8.325 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 92 19.651 7.600 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 92 17.959 8.939 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 92 17.768 8.950 -3.718 1.00 0.00 H new ATOM 1318 N SER A 93 17.435 3.767 -1.524 1.00 0.00 N ATOM 1319 CA SER A 93 16.989 2.881 -0.454 1.00 0.00 C ATOM 1320 C SER A 93 18.164 2.111 0.139 1.00 0.00 C ATOM 1321 O SER A 93 18.425 0.968 -0.237 1.00 0.00 O ATOM 1322 CB SER A 93 15.935 1.904 -0.980 1.00 0.00 C ATOM 1323 OG SER A 93 14.628 2.326 -0.629 1.00 0.00 O ATOM 0 H SER A 93 17.789 3.285 -2.350 1.00 0.00 H new ATOM 0 HA SER A 93 16.546 3.493 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.016 1.825 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.121 0.910 -0.574 1.00 0.00 H new ATOM 0 HG SER A 93 13.973 1.686 -0.978 1.00 0.00 H new ATOM 1329 N SER A 94 18.871 2.745 1.069 1.00 0.00 N ATOM 1330 CA SER A 94 20.018 2.120 1.716 1.00 0.00 C ATOM 1331 C SER A 94 20.106 2.529 3.183 1.00 0.00 C ATOM 1332 O SER A 94 20.288 1.688 4.063 1.00 0.00 O ATOM 1333 CB SER A 94 21.309 2.500 0.989 1.00 0.00 C ATOM 1334 OG SER A 94 22.371 1.632 1.346 1.00 0.00 O ATOM 0 H SER A 94 18.669 3.692 1.391 1.00 0.00 H new ATOM 0 HA SER A 94 19.887 1.039 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 94 21.149 2.459 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 94 21.578 3.528 1.233 1.00 0.00 H new ATOM 0 HG SER A 94 23.184 1.895 0.866 1.00 0.00 H new ATOM 1340 N GLY A 95 19.978 3.827 3.438 1.00 0.00 N ATOM 1341 CA GLY A 95 20.046 4.325 4.799 1.00 0.00 C ATOM 1342 C GLY A 95 21.465 4.375 5.328 1.00 0.00 C ATOM 1343 O GLY A 95 22.370 4.773 4.565 1.00 0.00 O ATOM 1344 OXT GLY A 95 21.672 4.017 6.507 1.00 0.00 O ATOM 0 H GLY A 95 19.828 4.543 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.611 5.324 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.443 3.688 5.446 1.00 0.00 H new TER 1348 GLY A 95