USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 85 SER OG : rot 35:sc= 0.285 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.94 K(o=-2.7,f=-4.8!) USER MOD Set 2.1: A 68 SER OG : rot -70:sc= -0.473 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.301 K(o=-0.17,f=-1.3) USER MOD Set 3.1: A 28 THR OG1 : rot -97:sc= 1.31 USER MOD Set 3.2: A 39 SER OG : rot 10:sc= 0.169! USER MOD Set 4.1: A 26 HIS : no HE2:sc= -2.99! C(o=-2.7!,f=-4.8!) USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0.274 USER MOD Single : A 4 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.34) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 15 THR OG1 : rot 95:sc= 0.0844 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0137) USER MOD Single : A 21 GLN : amide:sc= -1.78 X(o=-1.8,f=-2.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 75:sc= 0.786 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.0957 X(o=0.096,f=0) USER MOD Single : A 67 MET CE :methyl -175:sc= -3.64! (180deg=-3.82) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.0417 (180deg=-0.274) USER MOD Single : A 77 CYS SG : rot 150:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.41 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -16:sc= 0.924 USER MOD Single : A 88 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-1.9) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00759 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 1.074 -0.811 -2.881 1.00 0.00 N ATOM 19 CA GLY A 2 0.553 -1.495 -4.050 1.00 0.00 C ATOM 20 C GLY A 2 -0.952 -1.363 -4.176 1.00 0.00 C ATOM 21 O GLY A 2 -1.515 -1.587 -5.247 1.00 0.00 O ATOM 0 HA2 GLY A 2 1.026 -1.091 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.819 -2.551 -3.998 1.00 0.00 H new ATOM 25 N VAL A 3 -1.607 -0.999 -3.077 1.00 0.00 N ATOM 26 CA VAL A 3 -3.056 -0.838 -3.069 1.00 0.00 C ATOM 27 C VAL A 3 -3.483 0.240 -2.080 1.00 0.00 C ATOM 28 O VAL A 3 -3.144 0.182 -0.898 1.00 0.00 O ATOM 29 CB VAL A 3 -3.765 -2.158 -2.711 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.264 -2.689 -1.377 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.274 -1.961 -2.684 1.00 0.00 C ATOM 0 H VAL A 3 -1.157 -0.810 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.347 -0.539 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.531 -2.896 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.776 -3.622 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.191 -2.870 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.465 -1.957 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.759 -2.903 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.529 -1.208 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.615 -1.630 -3.665 1.00 0.00 H new ATOM 41 N GLN A 4 -4.230 1.224 -2.571 1.00 0.00 N ATOM 42 CA GLN A 4 -4.704 2.316 -1.729 1.00 0.00 C ATOM 43 C GLN A 4 -6.226 2.311 -1.636 1.00 0.00 C ATOM 44 O GLN A 4 -6.915 1.936 -2.585 1.00 0.00 O ATOM 45 CB GLN A 4 -4.220 3.659 -2.280 1.00 0.00 C ATOM 46 CG GLN A 4 -3.526 4.526 -1.242 1.00 0.00 C ATOM 47 CD GLN A 4 -2.401 3.800 -0.532 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.325 3.800 0.697 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.520 3.174 -1.303 1.00 0.00 N ATOM 0 H GLN A 4 -4.520 1.287 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.297 2.173 -0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.534 3.477 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.072 4.204 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.129 5.418 -1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.258 4.862 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.621 3.200 -2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.742 2.667 -0.881 1.00 0.00 H new ATOM 58 N VAL A 5 -6.745 2.728 -0.486 1.00 0.00 N ATOM 59 CA VAL A 5 -8.186 2.772 -0.268 1.00 0.00 C ATOM 60 C VAL A 5 -8.654 4.192 0.029 1.00 0.00 C ATOM 61 O VAL A 5 -8.263 4.790 1.031 1.00 0.00 O ATOM 62 CB VAL A 5 -8.607 1.852 0.893 1.00 0.00 C ATOM 63 CG1 VAL A 5 -10.123 1.765 0.984 1.00 0.00 C ATOM 64 CG2 VAL A 5 -7.995 0.469 0.725 1.00 0.00 C ATOM 0 H VAL A 5 -6.189 3.040 0.310 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.655 2.422 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.235 2.279 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.401 1.111 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.535 2.760 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.521 1.362 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.303 -0.168 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.335 0.032 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.908 0.551 0.714 1.00 0.00 H new ATOM 74 N VAL A 6 -9.496 4.728 -0.850 1.00 0.00 N ATOM 75 CA VAL A 6 -10.019 6.078 -0.682 1.00 0.00 C ATOM 76 C VAL A 6 -11.457 6.051 -0.176 1.00 0.00 C ATOM 77 O VAL A 6 -12.397 5.864 -0.950 1.00 0.00 O ATOM 78 CB VAL A 6 -9.966 6.869 -2.003 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.331 8.327 -1.767 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.590 6.751 -2.639 1.00 0.00 C ATOM 0 H VAL A 6 -9.830 4.247 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.387 6.573 0.055 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.696 6.444 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.288 8.870 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.340 8.388 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.627 8.769 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.570 7.316 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.839 7.150 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.373 5.703 -2.845 1.00 0.00 H new ATOM 90 N THR A 7 -11.623 6.240 1.130 1.00 0.00 N ATOM 91 CA THR A 7 -12.946 6.236 1.740 1.00 0.00 C ATOM 92 C THR A 7 -13.891 7.184 1.010 1.00 0.00 C ATOM 93 O THR A 7 -13.551 8.339 0.752 1.00 0.00 O ATOM 94 CB THR A 7 -12.880 6.639 3.226 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.716 6.072 3.836 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.125 6.176 3.968 1.00 0.00 C ATOM 0 H THR A 7 -10.857 6.398 1.785 1.00 0.00 H new ATOM 0 HA THR A 7 -13.327 5.218 1.663 1.00 0.00 H new ATOM 0 HB THR A 7 -12.826 7.726 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.681 6.334 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.056 6.472 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.007 6.633 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.205 5.091 3.902 1.00 0.00 H new ATOM 104 N LEU A 8 -15.079 6.689 0.680 1.00 0.00 N ATOM 105 CA LEU A 8 -16.075 7.492 -0.020 1.00 0.00 C ATOM 106 C LEU A 8 -17.321 7.685 0.838 1.00 0.00 C ATOM 107 O LEU A 8 -17.810 8.803 0.997 1.00 0.00 O ATOM 108 CB LEU A 8 -16.453 6.829 -1.346 1.00 0.00 C ATOM 109 CG LEU A 8 -15.324 6.675 -2.365 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.572 5.470 -3.259 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.182 7.939 -3.200 1.00 0.00 C ATOM 0 H LEU A 8 -15.376 5.735 0.886 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.640 8.471 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.860 5.841 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.253 7.410 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.392 6.515 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.758 5.377 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.622 4.568 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.514 5.600 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.374 7.811 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.114 8.131 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.956 8.783 -2.548 1.00 0.00 H new ATOM 123 N ALA A 9 -17.828 6.588 1.391 1.00 0.00 N ATOM 124 CA ALA A 9 -19.014 6.638 2.237 1.00 0.00 C ATOM 125 C ALA A 9 -18.838 5.772 3.480 1.00 0.00 C ATOM 126 O ALA A 9 -18.911 4.546 3.410 1.00 0.00 O ATOM 127 CB ALA A 9 -20.240 6.195 1.453 1.00 0.00 C ATOM 0 H ALA A 9 -17.436 5.654 1.268 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.156 7.669 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.118 6.237 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.384 6.856 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.097 5.173 1.101 1.00 0.00 H new ATOM 133 N ALA A 10 -18.605 6.419 4.617 1.00 0.00 N ATOM 134 CA ALA A 10 -18.420 5.708 5.876 1.00 0.00 C ATOM 135 C ALA A 10 -19.623 4.825 6.190 1.00 0.00 C ATOM 136 O ALA A 10 -20.769 5.230 6.002 1.00 0.00 O ATOM 137 CB ALA A 10 -18.178 6.695 7.009 1.00 0.00 C ATOM 0 H ALA A 10 -18.540 7.434 4.692 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.546 5.064 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.042 6.150 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.284 7.281 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.035 7.362 7.100 1.00 0.00 H new ATOM 143 N GLY A 11 -19.353 3.614 6.669 1.00 0.00 N ATOM 144 CA GLY A 11 -20.424 2.692 7.000 1.00 0.00 C ATOM 145 C GLY A 11 -20.502 2.403 8.486 1.00 0.00 C ATOM 146 O GLY A 11 -20.716 3.310 9.290 1.00 0.00 O ATOM 0 H GLY A 11 -18.412 3.255 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.374 3.108 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.275 1.758 6.459 1.00 0.00 H new ATOM 150 N ASP A 12 -20.330 1.138 8.851 1.00 0.00 N ATOM 151 CA ASP A 12 -20.383 0.732 10.251 1.00 0.00 C ATOM 152 C ASP A 12 -19.070 1.050 10.959 1.00 0.00 C ATOM 153 O ASP A 12 -19.061 1.428 12.130 1.00 0.00 O ATOM 154 CB ASP A 12 -20.686 -0.763 10.359 1.00 0.00 C ATOM 155 CG ASP A 12 -21.195 -1.153 11.733 1.00 0.00 C ATOM 156 OD1 ASP A 12 -21.193 -0.287 12.633 1.00 0.00 O ATOM 157 OD2 ASP A 12 -21.593 -2.323 11.909 1.00 0.00 O ATOM 0 H ASP A 12 -20.153 0.375 8.197 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.182 1.293 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.429 -1.035 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.783 -1.331 10.135 1.00 0.00 H new ATOM 162 N GLU A 13 -17.963 0.894 10.240 1.00 0.00 N ATOM 163 CA GLU A 13 -16.644 1.163 10.801 1.00 0.00 C ATOM 164 C GLU A 13 -16.454 0.423 12.122 1.00 0.00 C ATOM 165 O GLU A 13 -15.731 0.883 13.005 1.00 0.00 O ATOM 166 CB GLU A 13 -16.453 2.666 11.014 1.00 0.00 C ATOM 167 CG GLU A 13 -16.059 3.414 9.751 1.00 0.00 C ATOM 168 CD GLU A 13 -15.374 4.734 10.046 1.00 0.00 C ATOM 169 OE1 GLU A 13 -14.168 4.719 10.371 1.00 0.00 O ATOM 170 OE2 GLU A 13 -16.044 5.784 9.950 1.00 0.00 O ATOM 0 H GLU A 13 -17.953 0.583 9.269 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.896 0.806 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.379 3.090 11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.687 2.822 11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.394 2.789 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.949 3.597 9.149 1.00 0.00 H new ATOM 177 N ALA A 14 -17.108 -0.727 12.249 1.00 0.00 N ATOM 178 CA ALA A 14 -17.010 -1.532 13.460 1.00 0.00 C ATOM 179 C ALA A 14 -16.850 -3.011 13.125 1.00 0.00 C ATOM 180 O ALA A 14 -16.077 -3.724 13.766 1.00 0.00 O ATOM 181 CB ALA A 14 -18.235 -1.317 14.337 1.00 0.00 C ATOM 0 H ALA A 14 -17.711 -1.122 11.528 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.124 -1.213 14.008 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.149 -1.924 15.238 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.304 -0.265 14.614 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.131 -1.608 13.788 1.00 0.00 H new ATOM 187 N THR A 15 -17.586 -3.468 12.117 1.00 0.00 N ATOM 188 CA THR A 15 -17.527 -4.862 11.698 1.00 0.00 C ATOM 189 C THR A 15 -16.623 -5.033 10.482 1.00 0.00 C ATOM 190 O THR A 15 -16.957 -4.592 9.382 1.00 0.00 O ATOM 191 CB THR A 15 -18.928 -5.408 11.363 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.871 -4.977 12.351 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.915 -6.928 11.295 1.00 0.00 C ATOM 0 H THR A 15 -18.230 -2.892 11.575 1.00 0.00 H new ATOM 0 HA THR A 15 -17.116 -5.426 12.535 1.00 0.00 H new ATOM 0 HB THR A 15 -19.221 -5.020 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.315 -4.159 12.044 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.915 -7.290 11.057 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.218 -7.252 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.602 -7.333 12.258 1.00 0.00 H new ATOM 201 N TYR A 16 -15.479 -5.675 10.687 1.00 0.00 N ATOM 202 CA TYR A 16 -14.526 -5.903 9.607 1.00 0.00 C ATOM 203 C TYR A 16 -14.356 -7.395 9.336 1.00 0.00 C ATOM 204 O TYR A 16 -14.557 -8.238 10.211 1.00 0.00 O ATOM 205 CB TYR A 16 -13.173 -5.278 9.953 1.00 0.00 C ATOM 206 CG TYR A 16 -13.228 -3.779 10.138 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.780 -3.221 11.285 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.730 -2.920 9.167 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.833 -1.851 11.459 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.777 -1.549 9.332 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.330 -1.020 10.480 1.00 0.00 C ATOM 212 OH TYR A 16 -13.381 0.345 10.648 1.00 0.00 O ATOM 0 H TYR A 16 -15.189 -6.047 11.591 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.917 -5.431 8.705 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.795 -5.735 10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.461 -5.512 9.161 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.174 -3.869 12.054 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.298 -3.331 8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.266 -1.434 12.356 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.383 -0.896 8.567 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.984 0.786 9.868 1.00 0.00 H new ATOM 222 N PRO A 17 -13.975 -7.730 8.094 1.00 0.00 N ATOM 223 CA PRO A 17 -13.768 -9.120 7.678 1.00 0.00 C ATOM 224 C PRO A 17 -12.537 -9.742 8.328 1.00 0.00 C ATOM 225 O PRO A 17 -11.466 -9.136 8.362 1.00 0.00 O ATOM 226 CB PRO A 17 -13.575 -9.011 6.163 1.00 0.00 C ATOM 227 CG PRO A 17 -13.070 -7.627 5.944 1.00 0.00 C ATOM 228 CD PRO A 17 -13.718 -6.777 7.001 1.00 0.00 C ATOM 0 HA PRO A 17 -14.599 -9.762 7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.865 -9.754 5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.512 -9.179 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.984 -7.591 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.326 -7.271 4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.064 -5.965 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.640 -6.321 6.641 1.00 0.00 H new ATOM 236 N LYS A 18 -12.696 -10.956 8.844 1.00 0.00 N ATOM 237 CA LYS A 18 -11.597 -11.663 9.492 1.00 0.00 C ATOM 238 C LYS A 18 -10.833 -12.519 8.487 1.00 0.00 C ATOM 239 O LYS A 18 -11.426 -13.114 7.587 1.00 0.00 O ATOM 240 CB LYS A 18 -12.128 -12.541 10.627 1.00 0.00 C ATOM 241 CG LYS A 18 -11.961 -11.922 12.004 1.00 0.00 C ATOM 242 CD LYS A 18 -12.476 -12.844 13.096 1.00 0.00 C ATOM 243 CE LYS A 18 -12.256 -12.249 14.478 1.00 0.00 C ATOM 244 NZ LYS A 18 -13.155 -11.089 14.732 1.00 0.00 N ATOM 0 H LYS A 18 -13.576 -11.471 8.826 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.913 -10.921 9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.185 -12.743 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.612 -13.501 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.908 -11.701 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.497 -10.973 12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.539 -13.031 12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.970 -13.807 13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.428 -13.014 15.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.218 -11.932 14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.010 -10.744 15.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.938 -10.328 14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.145 -11.385 14.614 1.00 0.00 H new ATOM 258 N ALA A 19 -9.515 -12.577 8.648 1.00 0.00 N ATOM 259 CA ALA A 19 -8.671 -13.364 7.757 1.00 0.00 C ATOM 260 C ALA A 19 -9.113 -14.823 7.728 1.00 0.00 C ATOM 261 O ALA A 19 -9.044 -15.522 8.737 1.00 0.00 O ATOM 262 CB ALA A 19 -7.214 -13.259 8.182 1.00 0.00 C ATOM 0 H ALA A 19 -9.009 -12.089 9.387 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.774 -12.962 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.595 -13.851 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.898 -12.217 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.104 -13.634 9.200 1.00 0.00 H new ATOM 268 N GLY A 20 -9.568 -15.276 6.563 1.00 0.00 N ATOM 269 CA GLY A 20 -10.015 -16.650 6.426 1.00 0.00 C ATOM 270 C GLY A 20 -11.525 -16.765 6.367 1.00 0.00 C ATOM 271 O GLY A 20 -12.060 -17.803 5.978 1.00 0.00 O ATOM 0 H GLY A 20 -9.635 -14.716 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.585 -17.080 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.642 -17.236 7.266 1.00 0.00 H new ATOM 275 N GLN A 21 -12.214 -15.696 6.757 1.00 0.00 N ATOM 276 CA GLN A 21 -13.672 -15.684 6.749 1.00 0.00 C ATOM 277 C GLN A 21 -14.205 -15.190 5.408 1.00 0.00 C ATOM 278 O GLN A 21 -13.478 -14.576 4.627 1.00 0.00 O ATOM 279 CB GLN A 21 -14.201 -14.799 7.878 1.00 0.00 C ATOM 280 CG GLN A 21 -14.580 -15.572 9.131 1.00 0.00 C ATOM 281 CD GLN A 21 -15.743 -14.945 9.875 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.670 -15.637 10.297 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.700 -13.629 10.040 1.00 0.00 N ATOM 0 H GLN A 21 -11.786 -14.829 7.082 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.020 -16.705 6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.443 -14.059 8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.074 -14.252 7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.838 -16.595 8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.717 -15.627 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.912 -13.095 9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.455 -13.152 10.533 1.00 0.00 H new ATOM 292 N VAL A 22 -15.479 -15.464 5.146 1.00 0.00 N ATOM 293 CA VAL A 22 -16.110 -15.047 3.900 1.00 0.00 C ATOM 294 C VAL A 22 -16.703 -13.648 4.024 1.00 0.00 C ATOM 295 O VAL A 22 -17.337 -13.318 5.026 1.00 0.00 O ATOM 296 CB VAL A 22 -17.221 -16.027 3.478 1.00 0.00 C ATOM 297 CG1 VAL A 22 -18.268 -16.153 4.575 1.00 0.00 C ATOM 298 CG2 VAL A 22 -17.858 -15.579 2.171 1.00 0.00 C ATOM 0 H VAL A 22 -16.094 -15.973 5.780 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.331 -15.042 3.138 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.775 -17.009 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -19.045 -16.849 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.798 -16.523 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -18.713 -15.177 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -18.641 -16.283 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.291 -14.587 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.099 -15.546 1.389 1.00 0.00 H new ATOM 308 N ALA A 23 -16.491 -12.828 3.000 1.00 0.00 N ATOM 309 CA ALA A 23 -17.006 -11.465 2.994 1.00 0.00 C ATOM 310 C ALA A 23 -17.687 -11.141 1.668 1.00 0.00 C ATOM 311 O ALA A 23 -17.208 -11.527 0.602 1.00 0.00 O ATOM 312 CB ALA A 23 -15.883 -10.475 3.268 1.00 0.00 C ATOM 0 H ALA A 23 -15.966 -13.084 2.164 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.751 -11.381 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.282 -9.461 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.443 -10.685 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.118 -10.570 2.497 1.00 0.00 H new ATOM 318 N VAL A 24 -18.808 -10.430 1.742 1.00 0.00 N ATOM 319 CA VAL A 24 -19.555 -10.054 0.547 1.00 0.00 C ATOM 320 C VAL A 24 -19.546 -8.543 0.347 1.00 0.00 C ATOM 321 O VAL A 24 -19.925 -7.785 1.240 1.00 0.00 O ATOM 322 CB VAL A 24 -21.013 -10.544 0.620 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.696 -10.392 -0.731 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.067 -11.988 1.094 1.00 0.00 C ATOM 0 H VAL A 24 -19.219 -10.103 2.616 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.062 -10.532 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.549 -9.928 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.725 -10.743 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.690 -9.343 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.162 -10.981 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.105 -12.317 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.516 -12.620 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.619 -12.063 2.085 1.00 0.00 H new ATOM 334 N VAL A 25 -19.112 -8.110 -0.832 1.00 0.00 N ATOM 335 CA VAL A 25 -19.056 -6.689 -1.152 1.00 0.00 C ATOM 336 C VAL A 25 -19.380 -6.442 -2.621 1.00 0.00 C ATOM 337 O VAL A 25 -19.507 -7.382 -3.406 1.00 0.00 O ATOM 338 CB VAL A 25 -17.669 -6.097 -0.837 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.144 -6.640 0.484 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.696 -6.391 -1.968 1.00 0.00 C ATOM 0 H VAL A 25 -18.794 -8.724 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.804 -6.196 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.767 -5.015 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.163 -6.211 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.832 -6.374 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.060 -7.725 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.721 -5.966 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.600 -7.469 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.068 -5.949 -2.892 1.00 0.00 H new ATOM 350 N HIS A 26 -19.512 -5.171 -2.987 1.00 0.00 N ATOM 351 CA HIS A 26 -19.821 -4.800 -4.363 1.00 0.00 C ATOM 352 C HIS A 26 -18.635 -4.094 -5.014 1.00 0.00 C ATOM 353 O HIS A 26 -18.174 -3.060 -4.530 1.00 0.00 O ATOM 354 CB HIS A 26 -21.054 -3.897 -4.406 1.00 0.00 C ATOM 355 CG HIS A 26 -22.340 -4.647 -4.572 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.496 -5.683 -5.468 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.533 -4.506 -3.950 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.731 -6.147 -5.390 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.381 -5.450 -4.476 1.00 0.00 N ATOM 0 H HIS A 26 -19.410 -4.381 -2.350 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.030 -5.713 -4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.099 -3.314 -3.486 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.947 -3.189 -5.228 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.772 -6.036 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.774 -3.785 -3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.139 -6.958 -5.974 1.00 0.00 H new ATOM 367 N TYR A 27 -18.147 -4.658 -6.113 1.00 0.00 N ATOM 368 CA TYR A 27 -17.013 -4.084 -6.828 1.00 0.00 C ATOM 369 C TYR A 27 -17.478 -3.330 -8.070 1.00 0.00 C ATOM 370 O TYR A 27 -18.381 -3.774 -8.780 1.00 0.00 O ATOM 371 CB TYR A 27 -16.025 -5.182 -7.224 1.00 0.00 C ATOM 372 CG TYR A 27 -16.575 -6.152 -8.246 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.556 -5.849 -9.601 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.112 -7.373 -7.855 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.058 -6.732 -10.538 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.614 -8.262 -8.784 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.586 -7.937 -10.124 1.00 0.00 C ATOM 378 OH TYR A 27 -18.085 -8.820 -11.054 1.00 0.00 O ATOM 0 H TYR A 27 -18.519 -5.512 -6.528 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.515 -3.379 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.122 -4.720 -7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.732 -5.735 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.142 -4.907 -9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.137 -7.631 -6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.037 -6.480 -11.588 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.027 -9.207 -8.463 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.418 -9.621 -10.599 1.00 0.00 H new ATOM 388 N THR A 28 -16.853 -2.185 -8.328 1.00 0.00 N ATOM 389 CA THR A 28 -17.201 -1.368 -9.483 1.00 0.00 C ATOM 390 C THR A 28 -15.952 -0.885 -10.212 1.00 0.00 C ATOM 391 O THR A 28 -15.036 -0.339 -9.599 1.00 0.00 O ATOM 392 CB THR A 28 -18.046 -0.147 -9.073 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.069 -0.545 -8.154 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.679 0.507 -10.292 1.00 0.00 C ATOM 0 H THR A 28 -16.103 -1.803 -7.752 1.00 0.00 H new ATOM 0 HA THR A 28 -17.787 -1.999 -10.151 1.00 0.00 H new ATOM 0 HB THR A 28 -17.388 0.577 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.907 -0.693 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.271 1.367 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.897 0.836 -10.976 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.324 -0.212 -10.797 1.00 0.00 H new ATOM 402 N GLY A 29 -15.922 -1.091 -11.525 1.00 0.00 N ATOM 403 CA GLY A 29 -14.780 -0.670 -12.316 1.00 0.00 C ATOM 404 C GLY A 29 -14.630 0.837 -12.361 1.00 0.00 C ATOM 405 O GLY A 29 -15.622 1.568 -12.390 1.00 0.00 O ATOM 0 H GLY A 29 -16.668 -1.542 -12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.873 -1.110 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.885 -1.052 -13.331 1.00 0.00 H new ATOM 409 N THR A 30 -13.387 1.307 -12.365 1.00 0.00 N ATOM 410 CA THR A 30 -13.110 2.738 -12.405 1.00 0.00 C ATOM 411 C THR A 30 -11.636 3.005 -12.685 1.00 0.00 C ATOM 412 O THR A 30 -10.758 2.332 -12.142 1.00 0.00 O ATOM 413 CB THR A 30 -13.502 3.422 -11.081 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.057 2.460 -10.178 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.509 4.536 -11.326 1.00 0.00 C ATOM 0 H THR A 30 -12.555 0.717 -12.341 1.00 0.00 H new ATOM 0 HA THR A 30 -13.711 3.155 -13.213 1.00 0.00 H new ATOM 0 HB THR A 30 -12.604 3.856 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.339 1.900 -9.815 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.771 5.005 -10.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.072 5.282 -11.991 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.406 4.121 -11.786 1.00 0.00 H new ATOM 423 N LEU A 31 -11.369 3.992 -13.533 1.00 0.00 N ATOM 424 CA LEU A 31 -9.999 4.349 -13.885 1.00 0.00 C ATOM 425 C LEU A 31 -9.526 5.553 -13.076 1.00 0.00 C ATOM 426 O LEU A 31 -10.331 6.275 -12.490 1.00 0.00 O ATOM 427 CB LEU A 31 -9.898 4.654 -15.381 1.00 0.00 C ATOM 428 CG LEU A 31 -9.842 3.441 -16.310 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.774 3.885 -17.763 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.651 2.559 -15.964 1.00 0.00 C ATOM 0 H LEU A 31 -12.083 4.559 -13.990 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.357 3.500 -13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.754 5.265 -15.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.006 5.257 -15.549 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.753 2.858 -16.171 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.735 3.009 -18.410 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.658 4.475 -18.005 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.881 4.490 -17.917 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.627 1.701 -16.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.730 3.132 -16.074 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.742 2.212 -14.935 1.00 0.00 H new ATOM 442 N ALA A 32 -8.214 5.763 -13.052 1.00 0.00 N ATOM 443 CA ALA A 32 -7.633 6.882 -12.319 1.00 0.00 C ATOM 444 C ALA A 32 -8.131 8.215 -12.867 1.00 0.00 C ATOM 445 O ALA A 32 -8.102 9.232 -12.173 1.00 0.00 O ATOM 446 CB ALA A 32 -6.114 6.819 -12.377 1.00 0.00 C ATOM 0 H ALA A 32 -7.533 5.174 -13.531 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.949 6.806 -11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.694 7.660 -11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.771 5.885 -11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.787 6.866 -13.416 1.00 0.00 H new ATOM 452 N ASP A 33 -8.586 8.203 -14.115 1.00 0.00 N ATOM 453 CA ASP A 33 -9.091 9.412 -14.756 1.00 0.00 C ATOM 454 C ASP A 33 -10.538 9.678 -14.352 1.00 0.00 C ATOM 455 O ASP A 33 -11.056 10.776 -14.548 1.00 0.00 O ATOM 456 CB ASP A 33 -8.988 9.289 -16.277 1.00 0.00 C ATOM 457 CG ASP A 33 -7.574 9.506 -16.781 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.624 9.229 -16.020 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.419 9.955 -17.936 1.00 0.00 O ATOM 0 H ASP A 33 -8.616 7.370 -14.703 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.480 10.252 -14.424 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.332 8.301 -16.583 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.653 10.016 -16.743 1.00 0.00 H new ATOM 464 N GLY A 34 -11.185 8.663 -13.787 1.00 0.00 N ATOM 465 CA GLY A 34 -12.566 8.807 -13.365 1.00 0.00 C ATOM 466 C GLY A 34 -13.520 7.992 -14.215 1.00 0.00 C ATOM 467 O GLY A 34 -14.670 7.770 -13.833 1.00 0.00 O ATOM 0 H GLY A 34 -10.778 7.744 -13.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.658 8.499 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.849 9.858 -13.413 1.00 0.00 H new ATOM 471 N LYS A 35 -13.045 7.545 -15.372 1.00 0.00 N ATOM 472 CA LYS A 35 -13.863 6.750 -16.281 1.00 0.00 C ATOM 473 C LYS A 35 -14.500 5.573 -15.549 1.00 0.00 C ATOM 474 O LYS A 35 -13.805 4.736 -14.973 1.00 0.00 O ATOM 475 CB LYS A 35 -13.016 6.239 -17.448 1.00 0.00 C ATOM 476 CG LYS A 35 -13.392 6.852 -18.786 1.00 0.00 C ATOM 477 CD LYS A 35 -14.812 6.489 -19.186 1.00 0.00 C ATOM 478 CE LYS A 35 -14.830 5.466 -20.311 1.00 0.00 C ATOM 479 NZ LYS A 35 -16.087 5.539 -21.107 1.00 0.00 N ATOM 0 H LYS A 35 -12.096 7.720 -15.703 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.657 7.389 -16.669 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.966 6.449 -17.244 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.117 5.156 -17.513 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.294 7.936 -18.731 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.698 6.508 -19.553 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.344 6.091 -18.322 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.343 7.387 -19.501 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.975 5.632 -20.966 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.722 4.465 -19.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.061 4.826 -21.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.902 5.356 -20.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.178 6.486 -21.527 1.00 0.00 H new ATOM 493 N VAL A 36 -15.828 5.514 -15.577 1.00 0.00 N ATOM 494 CA VAL A 36 -16.560 4.438 -14.919 1.00 0.00 C ATOM 495 C VAL A 36 -16.605 3.190 -15.792 1.00 0.00 C ATOM 496 O VAL A 36 -16.718 3.278 -17.015 1.00 0.00 O ATOM 497 CB VAL A 36 -17.999 4.865 -14.577 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.841 4.964 -15.840 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.622 3.893 -13.586 1.00 0.00 C ATOM 0 H VAL A 36 -16.419 6.199 -16.048 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.027 4.212 -13.995 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.966 5.851 -14.113 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.855 5.267 -15.579 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.404 5.702 -16.512 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.869 3.994 -16.336 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.639 4.210 -13.356 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.643 2.894 -14.021 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.031 3.878 -12.671 1.00 0.00 H new ATOM 509 N PHE A 37 -16.518 2.026 -15.157 1.00 0.00 N ATOM 510 CA PHE A 37 -16.549 0.758 -15.877 1.00 0.00 C ATOM 511 C PHE A 37 -17.692 -0.122 -15.379 1.00 0.00 C ATOM 512 O PHE A 37 -18.496 0.298 -14.547 1.00 0.00 O ATOM 513 CB PHE A 37 -15.217 0.022 -15.714 1.00 0.00 C ATOM 514 CG PHE A 37 -14.236 0.308 -16.815 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.533 1.502 -16.842 1.00 0.00 C ATOM 516 CD2 PHE A 37 -14.018 -0.617 -17.824 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.630 1.768 -17.854 1.00 0.00 C ATOM 518 CE2 PHE A 37 -13.116 -0.356 -18.838 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.422 0.838 -18.854 1.00 0.00 C ATOM 0 H PHE A 37 -16.425 1.934 -14.145 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.712 0.972 -16.933 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.771 0.301 -14.759 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.406 -1.051 -15.676 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.693 2.233 -16.063 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.559 -1.552 -17.818 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.088 2.702 -17.863 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.954 -1.086 -19.618 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.718 1.044 -19.647 1.00 0.00 H new ATOM 529 N ASP A 38 -17.758 -1.344 -15.896 1.00 0.00 N ATOM 530 CA ASP A 38 -18.802 -2.284 -15.506 1.00 0.00 C ATOM 531 C ASP A 38 -18.801 -2.501 -13.996 1.00 0.00 C ATOM 532 O ASP A 38 -17.744 -2.555 -13.367 1.00 0.00 O ATOM 533 CB ASP A 38 -18.611 -3.620 -16.226 1.00 0.00 C ATOM 534 CG ASP A 38 -19.929 -4.284 -16.573 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.975 -3.829 -16.065 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.914 -5.259 -17.353 1.00 0.00 O ATOM 0 H ASP A 38 -17.101 -1.707 -16.586 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.764 -1.860 -15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.037 -3.459 -17.139 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -18.025 -4.289 -15.595 1.00 0.00 H new ATOM 541 N SER A 39 -19.992 -2.624 -13.419 1.00 0.00 N ATOM 542 CA SER A 39 -20.128 -2.830 -11.982 1.00 0.00 C ATOM 543 C SER A 39 -20.916 -4.103 -11.688 1.00 0.00 C ATOM 544 O SER A 39 -21.792 -4.496 -12.458 1.00 0.00 O ATOM 545 CB SER A 39 -20.821 -1.628 -11.337 1.00 0.00 C ATOM 546 OG SER A 39 -20.612 -1.611 -9.935 1.00 0.00 O ATOM 0 H SER A 39 -20.877 -2.585 -13.925 1.00 0.00 H new ATOM 0 HA SER A 39 -19.129 -2.935 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.440 -0.706 -11.776 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.890 -1.664 -11.548 1.00 0.00 H new ATOM 0 HG SER A 39 -19.940 -2.283 -9.696 1.00 0.00 H new ATOM 552 N SER A 40 -20.597 -4.743 -10.567 1.00 0.00 N ATOM 553 CA SER A 40 -21.272 -5.974 -10.172 1.00 0.00 C ATOM 554 C SER A 40 -22.629 -5.672 -9.545 1.00 0.00 C ATOM 555 O SER A 40 -23.552 -6.484 -9.617 1.00 0.00 O ATOM 556 CB SER A 40 -20.406 -6.761 -9.186 1.00 0.00 C ATOM 557 OG SER A 40 -20.993 -6.784 -7.897 1.00 0.00 O ATOM 0 H SER A 40 -19.876 -4.430 -9.917 1.00 0.00 H new ATOM 0 HA SER A 40 -21.430 -6.576 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.274 -7.781 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.414 -6.312 -9.129 1.00 0.00 H new ATOM 0 HG SER A 40 -20.421 -7.294 -7.286 1.00 0.00 H new ATOM 668 N PHE A 47 -20.136 -9.700 -4.988 1.00 0.00 N ATOM 669 CA PHE A 47 -19.000 -10.614 -5.003 1.00 0.00 C ATOM 670 C PHE A 47 -18.643 -11.060 -3.589 1.00 0.00 C ATOM 671 O PHE A 47 -18.256 -10.248 -2.749 1.00 0.00 O ATOM 672 CB PHE A 47 -17.790 -9.946 -5.660 1.00 0.00 C ATOM 673 CG PHE A 47 -16.804 -10.923 -6.233 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.139 -11.707 -7.325 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.541 -11.059 -5.679 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.234 -12.607 -7.855 1.00 0.00 C ATOM 677 CE2 PHE A 47 -14.631 -11.957 -6.204 1.00 0.00 C ATOM 678 CZ PHE A 47 -14.979 -12.733 -7.293 1.00 0.00 C ATOM 0 HA PHE A 47 -19.280 -11.493 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.137 -9.284 -6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.285 -9.322 -4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.120 -11.614 -7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.265 -10.456 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.508 -13.211 -8.707 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.649 -12.052 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 47 -14.271 -13.437 -7.704 1.00 0.00 H new ATOM 688 N ARG A 48 -18.776 -12.358 -3.333 1.00 0.00 N ATOM 689 CA ARG A 48 -18.469 -12.913 -2.020 1.00 0.00 C ATOM 690 C ARG A 48 -17.325 -13.918 -2.109 1.00 0.00 C ATOM 691 O ARG A 48 -17.282 -14.748 -3.018 1.00 0.00 O ATOM 692 CB ARG A 48 -19.708 -13.586 -1.425 1.00 0.00 C ATOM 693 CG ARG A 48 -20.279 -14.691 -2.298 1.00 0.00 C ATOM 694 CD ARG A 48 -20.435 -15.989 -1.521 1.00 0.00 C ATOM 695 NE ARG A 48 -20.405 -17.158 -2.397 1.00 0.00 N ATOM 696 CZ ARG A 48 -20.875 -18.350 -2.047 1.00 0.00 C ATOM 697 NH1 ARG A 48 -21.409 -18.530 -0.847 1.00 0.00 N ATOM 698 NH2 ARG A 48 -20.812 -19.365 -2.900 1.00 0.00 N ATOM 0 H ARG A 48 -19.094 -13.044 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.161 -12.094 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.453 -14.000 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.477 -12.831 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.248 -14.382 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.625 -14.854 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.637 -16.068 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.376 -15.972 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.001 -17.053 -3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.460 -17.752 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.769 -19.447 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.403 -19.230 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.173 -20.280 -2.631 1.00 0.00 H new ATOM 712 N PHE A 49 -16.398 -13.838 -1.160 1.00 0.00 N ATOM 713 CA PHE A 49 -15.252 -14.739 -1.132 1.00 0.00 C ATOM 714 C PHE A 49 -14.537 -14.668 0.214 1.00 0.00 C ATOM 715 O PHE A 49 -14.829 -13.803 1.041 1.00 0.00 O ATOM 716 CB PHE A 49 -14.276 -14.393 -2.259 1.00 0.00 C ATOM 717 CG PHE A 49 -13.682 -13.020 -2.137 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.520 -12.815 -1.410 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.284 -11.933 -2.749 1.00 0.00 C ATOM 720 CE1 PHE A 49 -11.971 -11.552 -1.295 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.740 -10.667 -2.639 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.581 -10.477 -1.912 1.00 0.00 C ATOM 0 H PHE A 49 -16.418 -13.158 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.618 -15.756 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.472 -15.128 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.794 -14.472 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.038 -13.652 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.190 -12.076 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.066 -11.406 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.220 -9.828 -3.121 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.152 -9.489 -1.826 1.00 0.00 H new ATOM 732 N THR A 50 -13.598 -15.584 0.428 1.00 0.00 N ATOM 733 CA THR A 50 -12.842 -15.628 1.674 1.00 0.00 C ATOM 734 C THR A 50 -11.675 -14.648 1.643 1.00 0.00 C ATOM 735 O THR A 50 -10.736 -14.809 0.863 1.00 0.00 O ATOM 736 CB THR A 50 -12.302 -17.043 1.954 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.389 -17.969 2.063 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.480 -17.065 3.233 1.00 0.00 C ATOM 0 H THR A 50 -13.343 -16.306 -0.246 1.00 0.00 H new ATOM 0 HA THR A 50 -13.530 -15.346 2.471 1.00 0.00 H new ATOM 0 HB THR A 50 -11.659 -17.334 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.038 -18.867 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.109 -18.075 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.637 -16.381 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.104 -16.755 4.072 1.00 0.00 H new ATOM 746 N VAL A 51 -11.739 -13.631 2.497 1.00 0.00 N ATOM 747 CA VAL A 51 -10.686 -12.626 2.569 1.00 0.00 C ATOM 748 C VAL A 51 -9.368 -13.242 3.023 1.00 0.00 C ATOM 749 O VAL A 51 -9.169 -13.505 4.208 1.00 0.00 O ATOM 750 CB VAL A 51 -11.065 -11.484 3.531 1.00 0.00 C ATOM 751 CG1 VAL A 51 -10.081 -10.331 3.406 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.487 -11.014 3.266 1.00 0.00 C ATOM 0 H VAL A 51 -12.509 -13.482 3.149 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.567 -12.220 1.564 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.016 -11.862 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.365 -9.534 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.078 -10.681 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.094 -9.951 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.738 -10.207 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.566 -10.653 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.178 -11.844 3.413 1.00 0.00 H new ATOM 762 N GLY A 52 -8.468 -13.469 2.071 1.00 0.00 N ATOM 763 CA GLY A 52 -7.179 -14.053 2.392 1.00 0.00 C ATOM 764 C GLY A 52 -6.892 -15.305 1.588 1.00 0.00 C ATOM 765 O GLY A 52 -5.756 -15.778 1.547 1.00 0.00 O ATOM 0 H GLY A 52 -8.609 -13.259 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.395 -13.319 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.147 -14.292 3.455 1.00 0.00 H new ATOM 769 N ARG A 53 -7.925 -15.844 0.948 1.00 0.00 N ATOM 770 CA ARG A 53 -7.779 -17.051 0.143 1.00 0.00 C ATOM 771 C ARG A 53 -7.143 -16.731 -1.207 1.00 0.00 C ATOM 772 O ARG A 53 -6.973 -15.566 -1.564 1.00 0.00 O ATOM 773 CB ARG A 53 -9.140 -17.718 -0.067 1.00 0.00 C ATOM 774 CG ARG A 53 -9.475 -18.763 0.984 1.00 0.00 C ATOM 775 CD ARG A 53 -8.640 -20.021 0.805 1.00 0.00 C ATOM 776 NE ARG A 53 -8.601 -20.830 2.020 1.00 0.00 N ATOM 777 CZ ARG A 53 -8.190 -22.093 2.049 1.00 0.00 C ATOM 778 NH1 ARG A 53 -7.784 -22.688 0.936 1.00 0.00 N ATOM 779 NH2 ARG A 53 -8.184 -22.763 3.194 1.00 0.00 N ATOM 0 H ARG A 53 -8.871 -15.464 0.971 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.125 -17.738 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.915 -16.951 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.158 -18.186 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.303 -18.349 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.533 -19.016 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.049 -20.614 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.625 -19.745 0.521 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.906 -20.402 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.787 -22.176 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.469 -23.658 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.495 -22.308 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.868 -23.733 3.216 1.00 0.00 H new ATOM 793 N GLY A 54 -6.794 -17.774 -1.954 1.00 0.00 N ATOM 794 CA GLY A 54 -6.181 -17.583 -3.255 1.00 0.00 C ATOM 795 C GLY A 54 -7.200 -17.549 -4.376 1.00 0.00 C ATOM 796 O GLY A 54 -6.854 -17.729 -5.543 1.00 0.00 O ATOM 0 H GLY A 54 -6.925 -18.748 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.616 -16.651 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.469 -18.387 -3.439 1.00 0.00 H new ATOM 800 N GLU A 55 -8.460 -17.317 -4.022 1.00 0.00 N ATOM 801 CA GLU A 55 -9.533 -17.263 -5.008 1.00 0.00 C ATOM 802 C GLU A 55 -9.646 -15.866 -5.612 1.00 0.00 C ATOM 803 O GLU A 55 -10.153 -15.695 -6.721 1.00 0.00 O ATOM 804 CB GLU A 55 -10.864 -17.663 -4.369 1.00 0.00 C ATOM 805 CG GLU A 55 -10.881 -19.087 -3.839 1.00 0.00 C ATOM 806 CD GLU A 55 -10.397 -20.096 -4.862 1.00 0.00 C ATOM 807 OE1 GLU A 55 -11.038 -20.215 -5.927 1.00 0.00 O ATOM 808 OE2 GLU A 55 -9.378 -20.767 -4.597 1.00 0.00 O ATOM 0 H GLU A 55 -8.763 -17.163 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.295 -17.967 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.085 -16.977 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.660 -17.549 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.253 -19.147 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.895 -19.344 -3.532 1.00 0.00 H new ATOM 815 N VAL A 56 -9.170 -14.868 -4.874 1.00 0.00 N ATOM 816 CA VAL A 56 -9.216 -13.486 -5.335 1.00 0.00 C ATOM 817 C VAL A 56 -7.813 -12.924 -5.531 1.00 0.00 C ATOM 818 O VAL A 56 -6.820 -13.628 -5.344 1.00 0.00 O ATOM 819 CB VAL A 56 -9.983 -12.589 -4.345 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.478 -12.857 -4.428 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.473 -12.803 -2.928 1.00 0.00 C ATOM 0 H VAL A 56 -8.748 -14.991 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.739 -13.489 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.810 -11.548 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.003 -12.214 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.829 -12.648 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.675 -13.901 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.026 -12.162 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.615 -13.846 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.413 -12.555 -2.882 1.00 0.00 H new ATOM 831 N ILE A 57 -7.737 -11.652 -5.908 1.00 0.00 N ATOM 832 CA ILE A 57 -6.455 -10.995 -6.127 1.00 0.00 C ATOM 833 C ILE A 57 -5.988 -10.267 -4.871 1.00 0.00 C ATOM 834 O ILE A 57 -6.792 -9.930 -4.002 1.00 0.00 O ATOM 835 CB ILE A 57 -6.529 -9.990 -7.292 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.676 -9.002 -7.070 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.703 -10.723 -8.614 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.400 -7.622 -7.624 1.00 0.00 C ATOM 0 H ILE A 57 -8.549 -11.056 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.739 -11.777 -6.378 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.594 -9.430 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.580 -9.397 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.875 -8.923 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.754 -9.999 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.856 -11.390 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.624 -11.305 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.255 -6.975 -7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.515 -7.207 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.231 -7.689 -8.699 1.00 0.00 H new ATOM 850 N ARG A 58 -4.684 -10.027 -4.784 1.00 0.00 N ATOM 851 CA ARG A 58 -4.110 -9.338 -3.634 1.00 0.00 C ATOM 852 C ARG A 58 -4.855 -8.036 -3.353 1.00 0.00 C ATOM 853 O ARG A 58 -5.176 -7.728 -2.206 1.00 0.00 O ATOM 854 CB ARG A 58 -2.627 -9.047 -3.875 1.00 0.00 C ATOM 855 CG ARG A 58 -1.815 -10.282 -4.230 1.00 0.00 C ATOM 856 CD ARG A 58 -0.347 -10.104 -3.876 1.00 0.00 C ATOM 857 NE ARG A 58 0.294 -11.373 -3.543 1.00 0.00 N ATOM 858 CZ ARG A 58 0.121 -12.002 -2.386 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.669 -11.482 -1.457 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.739 -13.154 -2.157 1.00 0.00 N ATOM 0 H ARG A 58 -4.005 -10.299 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.210 -9.989 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.534 -8.318 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.205 -8.590 -2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.216 -11.147 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.911 -10.488 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.175 -9.644 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.258 -9.421 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 58 0.908 -11.800 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.146 -10.597 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.800 -11.967 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.347 -13.557 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.606 -13.636 -1.268 1.00 0.00 H new ATOM 874 N GLY A 59 -5.126 -7.275 -4.409 1.00 0.00 N ATOM 875 CA GLY A 59 -5.830 -6.015 -4.255 1.00 0.00 C ATOM 876 C GLY A 59 -7.089 -6.153 -3.422 1.00 0.00 C ATOM 877 O GLY A 59 -7.212 -5.536 -2.364 1.00 0.00 O ATOM 0 H GLY A 59 -4.871 -7.509 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.167 -5.287 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.090 -5.625 -5.239 1.00 0.00 H new ATOM 881 N TRP A 60 -8.027 -6.962 -3.901 1.00 0.00 N ATOM 882 CA TRP A 60 -9.284 -7.178 -3.194 1.00 0.00 C ATOM 883 C TRP A 60 -9.032 -7.671 -1.773 1.00 0.00 C ATOM 884 O TRP A 60 -9.672 -7.216 -0.825 1.00 0.00 O ATOM 885 CB TRP A 60 -10.153 -8.184 -3.950 1.00 0.00 C ATOM 886 CG TRP A 60 -10.840 -7.595 -5.145 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.952 -6.270 -5.456 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.510 -8.312 -6.188 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.652 -6.120 -6.629 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.005 -7.357 -7.098 1.00 0.00 C ATOM 891 CE3 TRP A 60 -11.739 -9.667 -6.442 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -12.715 -7.717 -8.240 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -12.444 -10.022 -7.576 1.00 0.00 C ATOM 894 CH2 TRP A 60 -12.925 -9.050 -8.464 1.00 0.00 C ATOM 0 H TRP A 60 -7.941 -7.479 -4.776 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.809 -6.225 -3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.532 -9.020 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.904 -8.588 -3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.550 -5.459 -4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.873 -5.231 -7.078 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.371 -10.423 -5.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.087 -6.970 -8.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -12.628 -11.066 -7.782 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -13.472 -9.360 -9.342 1.00 0.00 H new ATOM 905 N ASP A 61 -8.097 -8.604 -1.633 1.00 0.00 N ATOM 906 CA ASP A 61 -7.760 -9.159 -0.327 1.00 0.00 C ATOM 907 C ASP A 61 -7.526 -8.048 0.691 1.00 0.00 C ATOM 908 O ASP A 61 -8.258 -7.929 1.672 1.00 0.00 O ATOM 909 CB ASP A 61 -6.516 -10.043 -0.431 1.00 0.00 C ATOM 910 CG ASP A 61 -6.549 -11.205 0.542 1.00 0.00 C ATOM 911 OD1 ASP A 61 -6.855 -10.975 1.730 1.00 0.00 O ATOM 912 OD2 ASP A 61 -6.268 -12.345 0.115 1.00 0.00 O ATOM 0 H ASP A 61 -7.559 -8.992 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.600 -9.766 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.430 -10.426 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.628 -9.440 -0.242 1.00 0.00 H new ATOM 917 N GLU A 62 -6.500 -7.237 0.450 1.00 0.00 N ATOM 918 CA GLU A 62 -6.169 -6.137 1.348 1.00 0.00 C ATOM 919 C GLU A 62 -7.284 -5.096 1.366 1.00 0.00 C ATOM 920 O GLU A 62 -7.693 -4.626 2.427 1.00 0.00 O ATOM 921 CB GLU A 62 -4.852 -5.483 0.926 1.00 0.00 C ATOM 922 CG GLU A 62 -3.722 -6.475 0.708 1.00 0.00 C ATOM 923 CD GLU A 62 -2.354 -5.863 0.942 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.027 -5.570 2.110 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.612 -5.677 -0.045 1.00 0.00 O ATOM 0 H GLU A 62 -5.884 -7.321 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.058 -6.543 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.014 -4.921 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.552 -4.765 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.855 -7.324 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.774 -6.861 -0.310 1.00 0.00 H new ATOM 932 N GLY A 63 -7.771 -4.738 0.182 1.00 0.00 N ATOM 933 CA GLY A 63 -8.833 -3.754 0.083 1.00 0.00 C ATOM 934 C GLY A 63 -10.005 -4.073 0.990 1.00 0.00 C ATOM 935 O GLY A 63 -10.319 -3.308 1.902 1.00 0.00 O ATOM 0 H GLY A 63 -7.449 -5.112 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.438 -2.771 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.180 -3.701 -0.949 1.00 0.00 H new ATOM 939 N VAL A 64 -10.655 -5.205 0.740 1.00 0.00 N ATOM 940 CA VAL A 64 -11.799 -5.623 1.541 1.00 0.00 C ATOM 941 C VAL A 64 -11.397 -5.861 2.992 1.00 0.00 C ATOM 942 O VAL A 64 -12.179 -5.623 3.911 1.00 0.00 O ATOM 943 CB VAL A 64 -12.438 -6.907 0.979 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.520 -8.100 1.196 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.798 -7.148 1.618 1.00 0.00 C ATOM 0 H VAL A 64 -10.409 -5.849 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.528 -4.814 1.498 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.582 -6.781 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.988 -8.998 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.571 -7.926 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.341 -8.232 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.236 -8.059 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.680 -7.254 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.454 -6.304 1.406 1.00 0.00 H new ATOM 955 N ALA A 65 -10.170 -6.333 3.190 1.00 0.00 N ATOM 956 CA ALA A 65 -9.662 -6.602 4.530 1.00 0.00 C ATOM 957 C ALA A 65 -9.696 -5.344 5.392 1.00 0.00 C ATOM 958 O ALA A 65 -9.985 -5.408 6.586 1.00 0.00 O ATOM 959 CB ALA A 65 -8.247 -7.156 4.456 1.00 0.00 C ATOM 0 H ALA A 65 -9.510 -6.537 2.440 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.308 -7.347 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.880 -7.352 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.249 -8.083 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.597 -6.430 3.968 1.00 0.00 H new ATOM 965 N GLN A 66 -9.397 -4.204 4.778 1.00 0.00 N ATOM 966 CA GLN A 66 -9.392 -2.932 5.491 1.00 0.00 C ATOM 967 C GLN A 66 -10.706 -2.186 5.283 1.00 0.00 C ATOM 968 O GLN A 66 -10.761 -0.962 5.400 1.00 0.00 O ATOM 969 CB GLN A 66 -8.220 -2.066 5.024 1.00 0.00 C ATOM 970 CG GLN A 66 -6.862 -2.716 5.233 1.00 0.00 C ATOM 971 CD GLN A 66 -5.762 -2.037 4.441 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.882 -1.390 5.009 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.807 -2.182 3.122 1.00 0.00 N ATOM 0 H GLN A 66 -9.155 -4.135 3.789 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.279 -3.141 6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.346 -1.839 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.245 -1.116 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.610 -2.690 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.918 -3.766 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.555 -2.727 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.093 -1.748 2.537 1.00 0.00 H new ATOM 982 N MET A 67 -11.761 -2.931 4.974 1.00 0.00 N ATOM 983 CA MET A 67 -13.075 -2.340 4.750 1.00 0.00 C ATOM 984 C MET A 67 -14.040 -2.719 5.870 1.00 0.00 C ATOM 985 O MET A 67 -13.842 -3.719 6.560 1.00 0.00 O ATOM 986 CB MET A 67 -13.639 -2.791 3.401 1.00 0.00 C ATOM 987 CG MET A 67 -12.965 -2.131 2.209 1.00 0.00 C ATOM 988 SD MET A 67 -13.872 -0.694 1.607 1.00 0.00 S ATOM 989 CE MET A 67 -15.368 -1.469 0.997 1.00 0.00 C ATOM 0 H MET A 67 -11.732 -3.946 4.873 1.00 0.00 H new ATOM 0 HA MET A 67 -12.961 -1.256 4.743 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.533 -3.872 3.315 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.706 -2.572 3.371 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.956 -1.828 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.867 -2.858 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.994 -0.720 0.511 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.108 -2.246 0.278 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.913 -1.913 1.830 1.00 0.00 H new ATOM 999 N SER A 68 -15.082 -1.913 6.044 1.00 0.00 N ATOM 1000 CA SER A 68 -16.075 -2.162 7.083 1.00 0.00 C ATOM 1001 C SER A 68 -17.460 -2.362 6.475 1.00 0.00 C ATOM 1002 O SER A 68 -17.780 -1.793 5.431 1.00 0.00 O ATOM 1003 CB SER A 68 -16.105 -1.000 8.078 1.00 0.00 C ATOM 1004 OG SER A 68 -16.072 0.248 7.406 1.00 0.00 O ATOM 0 H SER A 68 -15.261 -1.082 5.480 1.00 0.00 H new ATOM 0 HA SER A 68 -15.793 -3.074 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.005 -1.064 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.254 -1.075 8.755 1.00 0.00 H new ATOM 0 HG SER A 68 -15.189 0.379 7.002 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.278 -3.175 7.136 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.629 -3.451 6.662 1.00 0.00 C ATOM 1012 C VAL A 69 -20.401 -2.159 6.422 1.00 0.00 C ATOM 1013 O VAL A 69 -20.487 -1.302 7.301 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.408 -4.323 7.665 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.836 -4.540 7.187 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.700 -5.653 7.876 1.00 0.00 C ATOM 0 H VAL A 69 -18.029 -3.654 8.001 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.531 -3.992 5.721 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.446 -3.801 8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.371 -5.158 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.338 -3.577 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.823 -5.040 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.264 -6.256 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.630 -6.183 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.698 -5.474 8.266 1.00 0.00 H new ATOM 1026 N GLY A 70 -20.963 -2.025 5.224 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.721 -0.834 4.889 1.00 0.00 C ATOM 1028 C GLY A 70 -20.831 0.334 4.515 1.00 0.00 C ATOM 1029 O GLY A 70 -21.293 1.472 4.433 1.00 0.00 O ATOM 0 H GLY A 70 -20.907 -2.720 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.392 -1.056 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.345 -0.554 5.737 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.552 0.053 4.290 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.595 1.092 3.925 1.00 0.00 C ATOM 1035 C GLN A 71 -18.215 0.988 2.451 1.00 0.00 C ATOM 1036 O GLN A 71 -18.004 -0.108 1.931 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.342 0.989 4.796 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.546 2.281 4.872 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.057 2.061 4.697 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.349 1.738 5.651 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.572 2.235 3.473 1.00 0.00 N ATOM 0 H GLN A 71 -19.154 -0.884 4.354 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.066 2.061 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.633 0.692 5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.701 0.200 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.901 2.967 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.728 2.759 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.195 2.503 2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.577 2.101 3.295 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.129 2.134 1.785 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.776 2.172 0.371 1.00 0.00 C ATOM 1052 C ARG A 72 -16.548 3.048 0.141 1.00 0.00 C ATOM 1053 O ARG A 72 -16.449 4.149 0.682 1.00 0.00 O ATOM 1054 CB ARG A 72 -18.951 2.695 -0.456 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.599 2.968 -1.909 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.847 3.105 -2.768 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.634 4.280 -2.406 1.00 0.00 N ATOM 1058 CZ ARG A 72 -21.915 4.433 -2.724 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -22.550 3.489 -3.405 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -22.564 5.531 -2.358 1.00 0.00 N ATOM 0 H ARG A 72 -18.299 3.049 2.202 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.541 1.156 0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.763 1.969 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.323 3.614 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.008 3.881 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.979 2.158 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.559 3.171 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.461 2.211 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.176 5.024 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.055 2.643 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.533 3.609 -3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.080 6.258 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.547 5.648 -2.603 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.616 2.551 -0.665 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.396 3.289 -0.969 1.00 0.00 C ATOM 1076 C ALA A 73 -13.791 2.830 -2.291 1.00 0.00 C ATOM 1077 O ALA A 73 -14.198 1.813 -2.852 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.388 3.128 0.159 1.00 0.00 C ATOM 0 H ALA A 73 -15.682 1.640 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.653 4.344 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.482 3.684 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.815 3.512 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.144 2.073 0.281 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.817 3.587 -2.785 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.154 3.258 -4.041 1.00 0.00 C ATOM 1086 C LYS A 74 -10.890 2.442 -3.793 1.00 0.00 C ATOM 1087 O LYS A 74 -10.041 2.823 -2.985 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.806 4.536 -4.808 1.00 0.00 C ATOM 1089 CG LYS A 74 -12.936 5.045 -5.687 1.00 0.00 C ATOM 1090 CD LYS A 74 -13.032 6.561 -5.650 1.00 0.00 C ATOM 1091 CE LYS A 74 -14.209 7.065 -6.470 1.00 0.00 C ATOM 1092 NZ LYS A 74 -14.155 6.577 -7.876 1.00 0.00 N ATOM 0 H LYS A 74 -12.469 4.433 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.841 2.658 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.532 5.314 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.930 4.350 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.777 4.715 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.880 4.612 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.137 6.895 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.108 6.995 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.140 6.738 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.216 8.155 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.849 7.097 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.201 6.732 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.377 5.561 -7.900 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.770 1.318 -4.491 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.608 0.448 -4.347 1.00 0.00 C ATOM 1108 C LEU A 75 -8.651 0.619 -5.523 1.00 0.00 C ATOM 1109 O LEU A 75 -8.811 -0.017 -6.565 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.049 -1.012 -4.243 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.021 -1.984 -3.663 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.586 -1.538 -2.276 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.587 -3.396 -3.618 1.00 0.00 C ATOM 0 H LEU A 75 -11.463 0.988 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.086 0.729 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.948 -1.056 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.326 -1.359 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.146 -1.985 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.854 -2.242 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.139 -0.546 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.453 -1.506 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.841 -4.074 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.479 -3.411 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.846 -3.716 -4.627 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.653 1.480 -5.348 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.668 1.732 -6.392 1.00 0.00 C ATOM 1127 C VAL A 76 -5.399 0.920 -6.159 1.00 0.00 C ATOM 1128 O VAL A 76 -4.572 1.271 -5.317 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.301 3.226 -6.469 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -5.929 3.757 -5.093 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.167 3.446 -7.459 1.00 0.00 C ATOM 0 H VAL A 76 -7.506 2.015 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.122 1.428 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.172 3.778 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.673 4.814 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.774 3.636 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.073 3.203 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.921 4.507 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.290 2.882 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.476 3.106 -8.448 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.253 -0.166 -6.909 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.084 -1.030 -6.784 1.00 0.00 C ATOM 1143 C CYS A 77 -3.415 -1.239 -8.138 1.00 0.00 C ATOM 1144 O CYS A 77 -4.013 -0.983 -9.183 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.483 -2.379 -6.184 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.506 -3.397 -7.272 1.00 0.00 S ATOM 0 H CYS A 77 -5.929 -0.470 -7.610 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.371 -0.542 -6.119 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.579 -2.933 -5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.023 -2.205 -5.253 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.280 -4.654 -7.029 1.00 0.00 H new ATOM 1152 N SER A 78 -2.170 -1.705 -8.112 1.00 0.00 N ATOM 1153 CA SER A 78 -1.418 -1.944 -9.338 1.00 0.00 C ATOM 1154 C SER A 78 -1.761 -3.308 -9.929 1.00 0.00 C ATOM 1155 O SER A 78 -2.394 -4.149 -9.290 1.00 0.00 O ATOM 1156 CB SER A 78 0.085 -1.859 -9.064 1.00 0.00 C ATOM 1157 OG SER A 78 0.653 -0.721 -9.689 1.00 0.00 O ATOM 0 H SER A 78 -1.661 -1.924 -7.256 1.00 0.00 H new ATOM 0 HA SER A 78 -1.694 -1.175 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.260 -1.813 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.576 -2.761 -9.429 1.00 0.00 H new ATOM 0 HG SER A 78 1.614 -0.688 -9.498 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.335 -3.534 -11.181 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.585 -4.794 -11.887 1.00 0.00 C ATOM 1165 C PRO A 79 -0.788 -5.954 -11.302 1.00 0.00 C ATOM 1166 O PRO A 79 -1.175 -7.115 -11.435 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.126 -4.496 -13.317 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.122 -3.405 -13.173 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.577 -2.576 -12.003 1.00 0.00 C ATOM 0 HA PRO A 79 -2.628 -5.102 -11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.688 -5.378 -13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.961 -4.185 -13.944 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.874 -3.812 -12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.067 -2.803 -14.080 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.267 -2.156 -11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.199 -1.739 -12.321 1.00 0.00 H new ATOM 1177 N ASP A 80 0.327 -5.633 -10.655 1.00 0.00 N ATOM 1178 CA ASP A 80 1.178 -6.649 -10.048 1.00 0.00 C ATOM 1179 C ASP A 80 0.429 -7.403 -8.953 1.00 0.00 C ATOM 1180 O ASP A 80 0.762 -8.544 -8.632 1.00 0.00 O ATOM 1181 CB ASP A 80 2.441 -6.008 -9.470 1.00 0.00 C ATOM 1182 CG ASP A 80 3.556 -5.902 -10.491 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.262 -5.993 -11.702 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.722 -5.726 -10.081 1.00 0.00 O ATOM 0 H ASP A 80 0.662 -4.677 -10.538 1.00 0.00 H new ATOM 0 HA ASP A 80 1.463 -7.360 -10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.201 -5.013 -9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.786 -6.595 -8.619 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.583 -6.758 -8.384 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.378 -7.366 -7.324 1.00 0.00 C ATOM 1191 C TYR A 81 -2.800 -7.647 -7.801 1.00 0.00 C ATOM 1192 O TYR A 81 -3.703 -7.871 -6.996 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.410 -6.455 -6.096 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.318 -6.750 -5.093 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.945 -7.152 -5.510 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.549 -6.627 -3.728 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.945 -7.424 -4.597 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.446 -6.895 -2.808 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.691 -7.294 -3.248 1.00 0.00 C ATOM 1200 OH TYR A 81 2.686 -7.563 -2.335 1.00 0.00 O ATOM 0 H TYR A 81 -0.872 -5.814 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.912 -8.313 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.322 -5.418 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.378 -6.555 -5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.148 -7.253 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.523 -6.317 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.921 -7.737 -4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.250 -6.793 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 81 2.344 -7.422 -1.427 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.989 -7.632 -9.116 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.299 -7.887 -9.702 1.00 0.00 C ATOM 1212 C ALA A 82 -4.170 -8.439 -11.117 1.00 0.00 C ATOM 1213 O ALA A 82 -3.089 -8.858 -11.534 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.133 -6.615 -9.704 1.00 0.00 C ATOM 0 H ALA A 82 -2.252 -7.446 -9.796 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.802 -8.637 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.109 -6.820 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.264 -6.264 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.625 -5.848 -10.289 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.277 -8.438 -11.851 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.287 -8.942 -13.219 1.00 0.00 C ATOM 1222 C TYR A 83 -5.035 -7.816 -14.217 1.00 0.00 C ATOM 1223 O TYR A 83 -5.300 -7.956 -15.410 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.624 -9.619 -13.526 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.823 -8.842 -13.031 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.084 -7.559 -13.494 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.697 -9.393 -12.101 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.178 -6.845 -13.045 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.794 -8.687 -11.647 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.030 -7.414 -12.121 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.122 -6.707 -11.672 1.00 0.00 O ATOM 0 H TYR A 83 -6.179 -8.094 -11.522 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.485 -9.674 -13.314 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.712 -9.759 -14.603 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.632 -10.611 -13.074 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.420 -7.111 -14.218 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.515 -10.390 -11.727 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.365 -5.848 -13.415 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.463 -9.130 -10.924 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.015 -5.760 -11.899 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.519 -6.696 -13.718 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.238 -5.561 -14.577 1.00 0.00 C ATOM 1243 C GLY A 84 -3.087 -5.824 -15.528 1.00 0.00 C ATOM 1244 O GLY A 84 -2.978 -5.185 -16.574 1.00 0.00 O ATOM 0 H GLY A 84 -4.291 -6.555 -12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.131 -5.314 -15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.005 -4.692 -13.961 1.00 0.00 H new ATOM 1248 N SER A 85 -2.224 -6.767 -15.163 1.00 0.00 N ATOM 1249 CA SER A 85 -1.072 -7.110 -15.989 1.00 0.00 C ATOM 1250 C SER A 85 -1.490 -7.335 -17.439 1.00 0.00 C ATOM 1251 O SER A 85 -1.189 -6.526 -18.316 1.00 0.00 O ATOM 1252 CB SER A 85 -0.382 -8.362 -15.445 1.00 0.00 C ATOM 1253 OG SER A 85 0.542 -8.885 -16.384 1.00 0.00 O ATOM 0 H SER A 85 -2.301 -7.307 -14.301 1.00 0.00 H new ATOM 0 HA SER A 85 -0.372 -6.275 -15.957 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.136 -8.121 -14.516 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.130 -9.118 -15.206 1.00 0.00 H new ATOM 0 HG SER A 85 0.965 -8.148 -16.872 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.186 -8.441 -17.682 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.646 -8.774 -19.025 1.00 0.00 C ATOM 1261 C ARG A 86 -3.745 -7.817 -19.477 1.00 0.00 C ATOM 1262 O ARG A 86 -3.607 -7.131 -20.489 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.159 -10.214 -19.068 1.00 0.00 C ATOM 1264 CG ARG A 86 -3.921 -10.551 -20.339 1.00 0.00 C ATOM 1265 CD ARG A 86 -3.118 -10.197 -21.581 1.00 0.00 C ATOM 1266 NE ARG A 86 -1.749 -10.702 -21.510 1.00 0.00 N ATOM 1267 CZ ARG A 86 -0.801 -10.378 -22.381 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -1.070 -9.554 -23.384 1.00 0.00 N ATOM 1269 NH2 ARG A 86 0.421 -10.878 -22.250 1.00 0.00 N ATOM 0 H ARG A 86 -2.444 -9.121 -16.967 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.801 -8.676 -19.706 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.314 -10.895 -18.970 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.808 -10.385 -18.209 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.160 -11.614 -20.350 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.868 -10.011 -20.351 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.611 -10.609 -22.461 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.099 -9.114 -21.704 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.508 -11.338 -20.750 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.008 -9.167 -23.488 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.339 -9.307 -24.051 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.633 -11.512 -21.480 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.149 -10.628 -22.920 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.837 -7.778 -18.719 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.944 -6.902 -19.059 1.00 0.00 C ATOM 1285 C GLY A 87 -6.640 -7.318 -20.339 1.00 0.00 C ATOM 1286 O GLY A 87 -6.448 -8.433 -20.825 1.00 0.00 O ATOM 0 H GLY A 87 -4.975 -8.336 -17.877 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.665 -6.899 -18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.577 -5.881 -19.164 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.452 -6.420 -20.888 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.181 -6.700 -22.120 1.00 0.00 C ATOM 1292 C HIS A 88 -8.502 -5.409 -22.866 1.00 0.00 C ATOM 1293 O HIS A 88 -8.546 -4.323 -22.288 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.472 -7.459 -21.812 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.345 -8.944 -21.965 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.682 -9.538 -23.018 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.799 -9.956 -21.189 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.736 -10.851 -22.884 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.408 -11.131 -21.782 1.00 0.00 N ATOM 0 H HIS A 88 -7.622 -5.492 -20.499 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.547 -7.319 -22.756 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.782 -7.232 -20.792 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.261 -7.100 -22.473 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.364 -9.857 -20.274 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.304 -11.573 -23.561 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.604 -12.068 -21.429 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.730 -5.527 -24.183 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.051 -4.379 -25.037 1.00 0.00 C ATOM 1309 C PRO A 89 -10.436 -3.810 -24.748 1.00 0.00 C ATOM 1310 O PRO A 89 -11.447 -4.485 -24.938 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.997 -4.964 -26.451 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.280 -6.415 -26.272 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.695 -6.790 -24.939 1.00 0.00 C ATOM 0 HA PRO A 89 -8.364 -3.548 -24.878 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.734 -4.494 -27.102 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.020 -4.805 -26.908 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.352 -6.609 -26.296 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.832 -7.002 -27.074 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.280 -7.568 -24.448 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.678 -7.170 -25.039 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.474 -2.563 -24.288 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.740 -1.925 -23.981 1.00 0.00 C ATOM 1323 C GLY A 90 -12.266 -2.309 -22.612 1.00 0.00 C ATOM 1324 O GLY A 90 -13.385 -1.949 -22.245 1.00 0.00 O ATOM 0 H GLY A 90 -9.651 -1.984 -24.123 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.619 -0.843 -24.030 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.474 -2.198 -24.739 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.459 -3.043 -21.854 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.849 -3.477 -20.518 1.00 0.00 C ATOM 1330 C VAL A 91 -10.786 -3.110 -19.488 1.00 0.00 C ATOM 1331 O VAL A 91 -11.059 -2.383 -18.533 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.091 -4.998 -20.470 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.635 -5.410 -19.111 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.037 -5.422 -21.583 1.00 0.00 C ATOM 0 H VAL A 91 -10.530 -3.350 -22.142 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.778 -2.961 -20.277 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.138 -5.505 -20.621 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.800 -6.487 -19.096 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.918 -5.142 -18.335 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.578 -4.896 -18.926 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.197 -6.499 -21.534 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.991 -4.908 -21.465 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.602 -5.163 -22.548 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.575 -3.617 -19.690 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.471 -3.341 -18.779 1.00 0.00 C ATOM 1346 C ILE A 92 -7.200 -2.991 -19.547 1.00 0.00 C ATOM 1347 O ILE A 92 -6.828 -3.653 -20.515 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.186 -4.543 -17.859 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.425 -4.880 -17.026 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.998 -4.248 -16.955 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.246 -6.095 -16.143 1.00 0.00 C ATOM 0 H ILE A 92 -9.333 -4.221 -20.476 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.771 -2.489 -18.168 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.941 -5.406 -18.478 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.679 -4.022 -16.403 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.268 -5.048 -17.696 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.809 -5.107 -16.311 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.117 -4.051 -17.565 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.216 -3.375 -16.341 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.163 -6.275 -15.582 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.022 -6.964 -16.761 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.424 -5.922 -15.449 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.517 -1.925 -19.104 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.276 -1.463 -19.733 1.00 0.00 C ATOM 1365 C PRO A 93 -4.116 -2.426 -19.502 1.00 0.00 C ATOM 1366 O PRO A 93 -4.124 -3.235 -18.574 1.00 0.00 O ATOM 1367 CB PRO A 93 -5.005 -0.124 -19.042 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.688 -0.234 -17.723 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.903 -1.089 -17.955 1.00 0.00 C ATOM 0 HA PRO A 93 -5.372 -1.388 -20.816 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.936 0.050 -18.921 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.400 0.709 -19.624 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.030 -0.684 -16.980 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.969 0.749 -17.346 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.142 -1.694 -17.080 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.783 -0.485 -18.175 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.093 -2.338 -20.364 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.906 -3.194 -20.274 1.00 0.00 C ATOM 1379 C PRO A 94 -1.041 -2.860 -19.063 1.00 0.00 C ATOM 1380 O PRO A 94 -0.274 -1.899 -19.083 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.150 -2.890 -21.570 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.588 -1.519 -21.951 1.00 0.00 C ATOM 1383 CD PRO A 94 -3.015 -1.397 -21.494 1.00 0.00 C ATOM 0 HA PRO A 94 -2.170 -4.245 -20.154 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.071 -2.933 -21.419 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.392 -3.614 -22.348 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.961 -0.764 -21.478 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.509 -1.369 -23.028 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.253 -0.379 -21.186 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.715 -1.662 -22.287 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.172 -3.660 -18.009 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.402 -3.448 -16.789 1.00 0.00 C ATOM 1393 C ASN A 95 -0.480 -1.992 -16.342 1.00 0.00 C ATOM 1394 O ASN A 95 0.533 -1.297 -16.276 1.00 0.00 O ATOM 1395 CB ASN A 95 1.059 -3.849 -17.007 1.00 0.00 C ATOM 1396 CG ASN A 95 1.201 -5.019 -17.961 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.275 -6.173 -17.539 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.242 -4.725 -19.255 1.00 0.00 N ATOM 0 H ASN A 95 -1.804 -4.460 -17.976 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.831 -4.073 -16.006 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.613 -2.995 -17.398 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.509 -4.109 -16.049 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.338 -5.470 -19.945 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.177 -3.754 -19.560 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.691 -1.537 -16.035 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.902 -0.165 -15.591 1.00 0.00 C ATOM 1407 C ALA A 96 -2.712 -0.123 -14.300 1.00 0.00 C ATOM 1408 O ALA A 96 -3.585 -0.962 -14.075 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.597 0.641 -16.679 1.00 0.00 C ATOM 0 H ALA A 96 -2.541 -2.099 -16.086 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.927 0.279 -15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.748 1.664 -16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.979 0.649 -17.577 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.562 0.188 -16.907 1.00 0.00 H new ATOM 1415 N THR A 97 -2.417 0.858 -13.453 1.00 0.00 N ATOM 1416 CA THR A 97 -3.116 1.007 -12.183 1.00 0.00 C ATOM 1417 C THR A 97 -4.624 1.089 -12.392 1.00 0.00 C ATOM 1418 O THR A 97 -5.104 1.841 -13.242 1.00 0.00 O ATOM 1419 CB THR A 97 -2.646 2.264 -11.427 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.235 2.439 -11.597 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.974 2.159 -9.945 1.00 0.00 C ATOM 0 H THR A 97 -1.698 1.561 -13.624 1.00 0.00 H new ATOM 0 HA THR A 97 -2.881 0.125 -11.588 1.00 0.00 H new ATOM 0 HB THR A 97 -3.171 3.126 -11.839 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.944 3.241 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.633 3.058 -9.432 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.052 2.055 -9.817 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.473 1.288 -9.522 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.367 0.311 -11.613 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.823 0.295 -11.713 1.00 0.00 C ATOM 1431 C LEU A 98 -7.464 0.642 -10.373 1.00 0.00 C ATOM 1432 O LEU A 98 -6.930 0.313 -9.313 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.307 -1.078 -12.183 1.00 0.00 C ATOM 1434 CG LEU A 98 -7.323 -1.302 -13.695 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.185 -2.221 -14.111 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -8.662 -1.875 -14.135 1.00 0.00 C ATOM 0 H LEU A 98 -4.986 -0.317 -10.905 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.121 1.047 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.672 -1.840 -11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.316 -1.236 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.183 -0.339 -14.187 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.213 -2.369 -15.191 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.233 -1.771 -13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.293 -3.183 -13.610 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.655 -2.028 -15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.832 -2.828 -13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.459 -1.180 -13.872 1.00 0.00 H new ATOM 1448 N THR A 99 -8.614 1.306 -10.427 1.00 0.00 N ATOM 1449 CA THR A 99 -9.329 1.696 -9.218 1.00 0.00 C ATOM 1450 C THR A 99 -10.730 1.095 -9.190 1.00 0.00 C ATOM 1451 O THR A 99 -11.638 1.581 -9.864 1.00 0.00 O ATOM 1452 CB THR A 99 -9.438 3.228 -9.099 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.136 3.819 -9.176 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.103 3.624 -7.790 1.00 0.00 C ATOM 0 H THR A 99 -9.070 1.585 -11.295 1.00 0.00 H new ATOM 0 HA THR A 99 -8.755 1.313 -8.374 1.00 0.00 H new ATOM 0 HB THR A 99 -10.051 3.591 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.214 4.793 -9.101 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.168 4.710 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.105 3.197 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.513 3.249 -6.954 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.898 0.036 -8.405 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.189 -0.632 -8.289 1.00 0.00 C ATOM 1464 C PHE A 100 -12.880 -0.258 -6.981 1.00 0.00 C ATOM 1465 O PHE A 100 -12.373 -0.545 -5.896 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.011 -2.149 -8.370 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.639 -2.637 -9.741 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.311 -2.702 -10.131 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.618 -3.031 -10.640 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.966 -3.151 -11.392 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.278 -3.481 -11.901 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.951 -3.540 -12.278 1.00 0.00 C ATOM 0 H PHE A 100 -10.157 -0.378 -7.840 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.816 -0.302 -9.117 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.240 -2.454 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -12.937 -2.632 -8.060 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.537 -2.398 -9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.658 -2.986 -10.351 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.927 -3.197 -11.684 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -13.050 -3.787 -12.592 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.684 -3.890 -13.264 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.037 0.383 -7.092 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.799 0.796 -5.919 1.00 0.00 C ATOM 1484 C ASP A 101 -15.424 -0.410 -5.225 1.00 0.00 C ATOM 1485 O ASP A 101 -16.185 -1.163 -5.832 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.888 1.794 -6.316 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.321 3.145 -6.706 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.298 3.174 -7.421 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -15.901 4.172 -6.297 1.00 0.00 O ATOM 0 H ASP A 101 -14.469 0.628 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.113 1.278 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.461 1.389 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.581 1.921 -5.485 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.098 -0.587 -3.948 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.627 -1.701 -3.171 1.00 0.00 C ATOM 1496 C VAL A 102 -16.646 -1.220 -2.144 1.00 0.00 C ATOM 1497 O VAL A 102 -16.453 -0.189 -1.501 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.503 -2.463 -2.445 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -13.814 -3.432 -3.395 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.501 -1.489 -1.845 1.00 0.00 C ATOM 0 H VAL A 102 -14.470 0.027 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.116 -2.374 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.945 -3.040 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.023 -3.961 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.541 -4.151 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -13.384 -2.879 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.714 -2.045 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.063 -0.883 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.007 -0.840 -1.130 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.730 -1.974 -1.996 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.780 -1.624 -1.046 1.00 0.00 C ATOM 1512 C GLU A 103 -19.162 -2.827 -0.189 1.00 0.00 C ATOM 1513 O GLU A 103 -19.829 -3.750 -0.658 1.00 0.00 O ATOM 1514 CB GLU A 103 -20.012 -1.097 -1.785 1.00 0.00 C ATOM 1515 CG GLU A 103 -21.267 -1.066 -0.930 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.107 -0.209 0.311 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -20.448 -0.669 1.268 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -21.639 0.920 0.326 1.00 0.00 O ATOM 0 H GLU A 103 -17.905 -2.831 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.396 -0.842 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.805 -0.090 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.194 -1.720 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -22.098 -0.686 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.526 -2.083 -0.634 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.735 -2.810 1.069 1.00 0.00 N ATOM 1526 CA LEU A 104 -19.032 -3.899 1.992 1.00 0.00 C ATOM 1527 C LEU A 104 -20.532 -3.999 2.253 1.00 0.00 C ATOM 1528 O LEU A 104 -21.187 -3.003 2.561 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.287 -3.692 3.312 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.857 -4.963 4.047 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.995 -5.972 4.078 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.624 -5.567 3.391 1.00 0.00 C ATOM 0 H LEU A 104 -18.182 -2.054 1.473 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.698 -4.831 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.398 -3.092 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.923 -3.109 3.978 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.605 -4.699 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.671 -6.870 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.852 -5.538 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.279 -6.232 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.332 -6.470 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.849 -5.817 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.806 -4.847 3.421 1.00 0.00 H new ATOM 1544 N LEU A 105 -21.069 -5.208 2.129 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.492 -5.439 2.353 1.00 0.00 C ATOM 1546 C LEU A 105 -22.715 -6.296 3.595 1.00 0.00 C ATOM 1547 O LEU A 105 -23.699 -6.120 4.314 1.00 0.00 O ATOM 1548 CB LEU A 105 -23.117 -6.117 1.133 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.513 -5.193 -0.019 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.076 -5.999 -1.180 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.522 -4.156 0.452 1.00 0.00 C ATOM 0 H LEU A 105 -20.541 -6.043 1.875 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.972 -4.473 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.413 -6.857 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -24.005 -6.659 1.459 1.00 0.00 H new ATOM 0 HG LEU A 105 -22.621 -4.671 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -24.352 -5.325 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.322 -6.702 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.957 -6.548 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -24.792 -3.507 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.414 -4.659 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -24.083 -3.558 1.250 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.794 -7.221 3.843 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.889 -8.104 4.999 1.00 0.00 C ATOM 1565 C ARG A 106 -20.686 -9.040 5.070 1.00 0.00 C ATOM 1566 O ARG A 106 -19.991 -9.251 4.075 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.181 -8.922 4.937 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.468 -9.505 3.563 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.095 -10.886 3.665 1.00 0.00 C ATOM 1570 NE ARG A 106 -25.027 -11.146 2.571 1.00 0.00 N ATOM 1571 CZ ARG A 106 -25.895 -12.151 2.567 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -25.950 -12.988 3.595 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -26.711 -12.322 1.535 1.00 0.00 N ATOM 0 H ARG A 106 -20.973 -7.379 3.259 1.00 0.00 H new ATOM 0 HA ARG A 106 -21.900 -7.486 5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.122 -9.734 5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.017 -8.289 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.137 -8.840 3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.542 -9.566 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -23.310 -11.642 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.619 -10.977 4.617 1.00 0.00 H new ATOM 0 HE ARG A 106 -25.010 -10.521 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -25.325 -12.860 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -26.618 -13.759 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -26.672 -11.681 0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -27.377 -13.095 1.534 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.444 -9.597 6.252 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.326 -10.510 6.453 1.00 0.00 C ATOM 1589 C VAL A 107 -19.733 -11.697 7.318 1.00 0.00 C ATOM 1590 O VAL A 107 -20.553 -11.562 8.226 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.130 -9.796 7.111 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -18.461 -9.408 8.544 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -16.891 -10.677 7.061 1.00 0.00 C ATOM 0 H VAL A 107 -21.008 -9.432 7.086 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.029 -10.868 5.467 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.922 -8.883 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.604 -8.905 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -19.320 -8.737 8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -18.697 -10.304 9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.056 -10.157 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.085 -11.608 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.644 -10.898 6.023 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.155 -12.859 7.030 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.459 -14.070 7.783 1.00 0.00 C ATOM 1605 C GLU A 108 -18.210 -14.927 7.963 1.00 0.00 C ATOM 1606 O GLU A 108 -17.366 -15.006 7.070 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.547 -14.878 7.073 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.753 -14.048 6.664 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.577 -13.591 7.851 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.351 -14.111 8.964 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.447 -12.715 7.668 1.00 0.00 O ATOM 0 H GLU A 108 -18.474 -12.987 6.281 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.820 -13.774 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -20.120 -15.345 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.877 -15.683 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.416 -13.176 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -22.382 -14.634 5.994 1.00 0.00 H new