USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 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 USER MOD Single : A 11 HIS : no HE2:sc= -3.72! K(o=-3.7!,f=-2) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -113:sc= -0.266 (180deg=-2.05!) USER MOD Single : A 31 CYS SG : rot -18:sc= 0.912 USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0117 (180deg=-0.194) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 34:sc= 0.0569 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.000603 K(o=-0.0006,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-2) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.656 (180deg=-1.61!) USER MOD Single : A 58 MET CE :methyl 162:sc= -0.0922 (180deg=-0.606) USER MOD Single : A 63 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.017) USER MOD Single : A 66 HIS : no HE2:sc= -3.96! C(o=-4!,f=-3.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.000837 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 18:sc= 1.14 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 150:sc= -1.61 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -3.68! C(o=-3.7!,f=-19!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc=-0.000572 X(o=-0.00057,f=-0.0091) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.958 43.370 2.276 1.00 0.00 N ATOM 2 CA GLY A 1 5.196 42.738 2.691 1.00 0.00 C ATOM 3 C GLY A 1 4.979 41.684 3.759 1.00 0.00 C ATOM 4 O GLY A 1 5.048 41.977 4.953 1.00 0.00 O ATOM 0 H1 GLY A 1 4.160 44.082 1.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.313 42.651 1.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.512 43.831 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.675 42.280 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.880 43.498 3.069 1.00 0.00 H new ATOM 8 N SER A 2 4.715 40.454 3.330 1.00 0.00 N ATOM 9 CA SER A 2 4.482 39.354 4.259 1.00 0.00 C ATOM 10 C SER A 2 5.191 38.088 3.789 1.00 0.00 C ATOM 11 O SER A 2 5.770 38.053 2.703 1.00 0.00 O ATOM 12 CB SER A 2 2.982 39.089 4.401 1.00 0.00 C ATOM 13 OG SER A 2 2.367 40.067 5.223 1.00 0.00 O ATOM 0 H SER A 2 4.657 40.194 2.345 1.00 0.00 H new ATOM 0 HA SER A 2 4.888 39.638 5.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.514 39.091 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.823 38.099 4.828 1.00 0.00 H new ATOM 0 HG SER A 2 1.409 39.877 5.297 1.00 0.00 H new ATOM 19 N SER A 3 5.142 37.048 4.616 1.00 0.00 N ATOM 20 CA SER A 3 5.782 35.780 4.289 1.00 0.00 C ATOM 21 C SER A 3 4.741 34.714 3.962 1.00 0.00 C ATOM 22 O SER A 3 3.561 34.866 4.275 1.00 0.00 O ATOM 23 CB SER A 3 6.659 35.312 5.453 1.00 0.00 C ATOM 24 OG SER A 3 7.922 35.953 5.429 1.00 0.00 O ATOM 0 H SER A 3 4.665 37.059 5.518 1.00 0.00 H new ATOM 0 HA SER A 3 6.408 35.934 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.158 35.523 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.795 34.232 5.399 1.00 0.00 H new ATOM 0 HG SER A 3 8.463 35.639 6.183 1.00 0.00 H new ATOM 30 N GLY A 4 5.188 33.633 3.329 1.00 0.00 N ATOM 31 CA GLY A 4 4.283 32.557 2.968 1.00 0.00 C ATOM 32 C GLY A 4 4.776 31.204 3.440 1.00 0.00 C ATOM 33 O GLY A 4 4.241 30.640 4.395 1.00 0.00 O ATOM 0 H GLY A 4 6.160 33.483 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.301 32.753 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.159 32.538 1.885 1.00 0.00 H new ATOM 37 N SER A 5 5.796 30.680 2.769 1.00 0.00 N ATOM 38 CA SER A 5 6.357 29.381 3.122 1.00 0.00 C ATOM 39 C SER A 5 5.252 28.387 3.466 1.00 0.00 C ATOM 40 O SER A 5 5.379 27.602 4.406 1.00 0.00 O ATOM 41 CB SER A 5 7.319 29.521 4.303 1.00 0.00 C ATOM 42 OG SER A 5 8.588 29.984 3.876 1.00 0.00 O ATOM 0 H SER A 5 6.251 31.135 1.978 1.00 0.00 H new ATOM 0 HA SER A 5 6.905 29.003 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.903 30.214 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.429 28.558 4.802 1.00 0.00 H new ATOM 0 HG SER A 5 9.184 30.067 4.650 1.00 0.00 H new ATOM 48 N SER A 6 4.168 28.428 2.698 1.00 0.00 N ATOM 49 CA SER A 6 3.038 27.534 2.923 1.00 0.00 C ATOM 50 C SER A 6 3.020 26.411 1.891 1.00 0.00 C ATOM 51 O SER A 6 3.187 26.648 0.696 1.00 0.00 O ATOM 52 CB SER A 6 1.724 28.316 2.866 1.00 0.00 C ATOM 53 OG SER A 6 1.397 28.857 4.134 1.00 0.00 O ATOM 0 H SER A 6 4.048 29.070 1.915 1.00 0.00 H new ATOM 0 HA SER A 6 3.147 27.092 3.913 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.807 29.120 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.921 27.660 2.529 1.00 0.00 H new ATOM 0 HG SER A 6 0.554 29.353 4.070 1.00 0.00 H new ATOM 59 N GLY A 7 2.816 25.185 2.364 1.00 0.00 N ATOM 60 CA GLY A 7 2.779 24.042 1.470 1.00 0.00 C ATOM 61 C GLY A 7 4.148 23.423 1.265 1.00 0.00 C ATOM 62 O GLY A 7 5.131 24.131 1.044 1.00 0.00 O ATOM 0 H GLY A 7 2.676 24.963 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.100 23.291 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.375 24.351 0.506 1.00 0.00 H new ATOM 66 N PHE A 8 4.213 22.098 1.339 1.00 0.00 N ATOM 67 CA PHE A 8 5.472 21.383 1.162 1.00 0.00 C ATOM 68 C PHE A 8 5.322 20.264 0.136 1.00 0.00 C ATOM 69 O PHE A 8 4.245 19.689 -0.019 1.00 0.00 O ATOM 70 CB PHE A 8 5.948 20.807 2.497 1.00 0.00 C ATOM 71 CG PHE A 8 5.563 21.645 3.683 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.395 22.658 4.131 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.369 21.419 4.349 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.043 23.430 5.222 1.00 0.00 C ATOM 75 CE2 PHE A 8 4.012 22.188 5.441 1.00 0.00 C ATOM 76 CZ PHE A 8 4.850 23.196 5.877 1.00 0.00 C ATOM 0 H PHE A 8 3.409 21.497 1.520 1.00 0.00 H new ATOM 0 HA PHE A 8 6.215 22.091 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.534 19.806 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.033 20.703 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.329 22.847 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.710 20.633 4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.701 24.216 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.079 22.001 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.573 23.800 6.728 1.00 0.00 H new ATOM 86 N ARG A 9 6.412 19.960 -0.562 1.00 0.00 N ATOM 87 CA ARG A 9 6.402 18.911 -1.575 1.00 0.00 C ATOM 88 C ARG A 9 6.071 17.558 -0.952 1.00 0.00 C ATOM 89 O ARG A 9 6.534 17.218 0.138 1.00 0.00 O ATOM 90 CB ARG A 9 7.757 18.842 -2.281 1.00 0.00 C ATOM 91 CG ARG A 9 7.697 18.189 -3.652 1.00 0.00 C ATOM 92 CD ARG A 9 9.032 18.285 -4.374 1.00 0.00 C ATOM 93 NE ARG A 9 9.201 17.218 -5.356 1.00 0.00 N ATOM 94 CZ ARG A 9 10.282 17.083 -6.116 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.285 17.943 -6.007 1.00 0.00 N ATOM 96 NH2 ARG A 9 10.362 16.085 -6.987 1.00 0.00 N ATOM 0 H ARG A 9 7.312 20.425 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 9 5.631 19.153 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.154 19.852 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.456 18.288 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.414 17.142 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.923 18.669 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.106 19.251 -4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.842 18.239 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 9 8.448 16.539 -5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.228 18.711 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.114 17.837 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.593 15.421 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.193 15.982 -7.570 1.00 0.00 H new ATOM 110 N PRO A 10 5.251 16.765 -1.658 1.00 0.00 N ATOM 111 CA PRO A 10 4.840 15.437 -1.195 1.00 0.00 C ATOM 112 C PRO A 10 5.989 14.434 -1.218 1.00 0.00 C ATOM 113 O PRO A 10 6.733 14.349 -2.195 1.00 0.00 O ATOM 114 CB PRO A 10 3.756 15.032 -2.196 1.00 0.00 C ATOM 115 CG PRO A 10 4.073 15.803 -3.430 1.00 0.00 C ATOM 116 CD PRO A 10 4.663 17.106 -2.965 1.00 0.00 C ATOM 0 HA PRO A 10 4.498 15.454 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.773 13.959 -2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.761 15.275 -1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.777 15.259 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.176 15.972 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.416 17.477 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.903 17.882 -2.874 1.00 0.00 H new ATOM 124 N HIS A 11 6.127 13.675 -0.135 1.00 0.00 N ATOM 125 CA HIS A 11 7.185 12.676 -0.032 1.00 0.00 C ATOM 126 C HIS A 11 6.841 11.626 1.020 1.00 0.00 C ATOM 127 O HIS A 11 6.276 11.944 2.067 1.00 0.00 O ATOM 128 CB HIS A 11 8.515 13.346 0.315 1.00 0.00 C ATOM 129 CG HIS A 11 8.759 13.467 1.787 1.00 0.00 C ATOM 130 ND1 HIS A 11 9.997 13.280 2.364 1.00 0.00 N ATOM 131 CD2 HIS A 11 7.913 13.761 2.803 1.00 0.00 C ATOM 132 CE1 HIS A 11 9.903 13.452 3.670 1.00 0.00 C ATOM 133 NE2 HIS A 11 8.649 13.745 3.962 1.00 0.00 N ATOM 0 H HIS A 11 5.520 13.733 0.683 1.00 0.00 H new ATOM 0 HA HIS A 11 7.277 12.180 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.328 12.775 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.539 14.340 -0.132 1.00 0.00 H new ATOM 0 HD1 HIS A 11 10.852 13.045 1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.857 13.969 2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 11 10.714 13.367 4.379 1.00 0.00 H new ATOM 141 N PHE A 12 7.184 10.375 0.734 1.00 0.00 N ATOM 142 CA PHE A 12 6.909 9.278 1.655 1.00 0.00 C ATOM 143 C PHE A 12 7.959 9.221 2.761 1.00 0.00 C ATOM 144 O PHE A 12 9.094 8.799 2.535 1.00 0.00 O ATOM 145 CB PHE A 12 6.875 7.947 0.901 1.00 0.00 C ATOM 146 CG PHE A 12 5.733 7.838 -0.070 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.437 7.651 0.383 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.956 7.920 -1.434 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.384 7.550 -0.507 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.908 7.821 -2.329 1.00 0.00 C ATOM 151 CZ PHE A 12 3.620 7.634 -1.865 1.00 0.00 C ATOM 0 H PHE A 12 7.653 10.095 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 12 5.935 9.455 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.814 7.820 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.808 7.132 1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.247 7.583 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.961 8.063 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.378 7.406 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.095 7.890 -3.390 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.800 7.554 -2.563 1.00 0.00 H new ATOM 161 N LEU A 13 7.572 9.649 3.958 1.00 0.00 N ATOM 162 CA LEU A 13 8.478 9.648 5.101 1.00 0.00 C ATOM 163 C LEU A 13 9.122 8.277 5.284 1.00 0.00 C ATOM 164 O LEU A 13 10.312 8.174 5.578 1.00 0.00 O ATOM 165 CB LEU A 13 7.727 10.045 6.373 1.00 0.00 C ATOM 166 CG LEU A 13 7.252 11.497 6.446 1.00 0.00 C ATOM 167 CD1 LEU A 13 6.027 11.614 7.338 1.00 0.00 C ATOM 168 CD2 LEU A 13 8.369 12.399 6.950 1.00 0.00 C ATOM 0 H LEU A 13 6.637 10.001 4.162 1.00 0.00 H new ATOM 0 HA LEU A 13 9.266 10.377 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.859 9.394 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.374 9.852 7.228 1.00 0.00 H new ATOM 0 HG LEU A 13 6.977 11.820 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.704 12.654 7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.223 10.999 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.275 11.273 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.013 13.428 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.676 12.077 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.220 12.339 6.271 1.00 0.00 H new ATOM 180 N GLN A 14 8.326 7.227 5.106 1.00 0.00 N ATOM 181 CA GLN A 14 8.819 5.862 5.251 1.00 0.00 C ATOM 182 C GLN A 14 8.069 4.911 4.324 1.00 0.00 C ATOM 183 O GLN A 14 6.867 4.700 4.477 1.00 0.00 O ATOM 184 CB GLN A 14 8.678 5.397 6.701 1.00 0.00 C ATOM 185 CG GLN A 14 9.643 4.286 7.081 1.00 0.00 C ATOM 186 CD GLN A 14 9.359 3.711 8.455 1.00 0.00 C ATOM 187 OE1 GLN A 14 8.578 2.770 8.598 1.00 0.00 O ATOM 188 NE2 GLN A 14 9.995 4.275 9.475 1.00 0.00 N ATOM 0 H GLN A 14 7.338 7.295 4.861 1.00 0.00 H new ATOM 0 HA GLN A 14 9.874 5.853 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.838 6.248 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.657 5.052 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.585 3.490 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.662 4.671 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.634 5.053 9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.845 3.930 10.423 1.00 0.00 H new ATOM 197 N ALA A 15 8.788 4.341 3.363 1.00 0.00 N ATOM 198 CA ALA A 15 8.190 3.411 2.412 1.00 0.00 C ATOM 199 C ALA A 15 8.767 2.009 2.579 1.00 0.00 C ATOM 200 O ALA A 15 9.943 1.829 2.896 1.00 0.00 O ATOM 201 CB ALA A 15 8.401 3.904 0.988 1.00 0.00 C ATOM 0 H ALA A 15 9.785 4.506 3.222 1.00 0.00 H new ATOM 0 HA ALA A 15 7.120 3.362 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.950 3.200 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.936 4.883 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.469 3.983 0.785 1.00 0.00 H new ATOM 207 N PRO A 16 7.921 0.991 2.362 1.00 0.00 N ATOM 208 CA PRO A 16 8.325 -0.413 2.483 1.00 0.00 C ATOM 209 C PRO A 16 9.278 -0.840 1.372 1.00 0.00 C ATOM 210 O PRO A 16 9.809 -0.004 0.642 1.00 0.00 O ATOM 211 CB PRO A 16 7.001 -1.173 2.373 1.00 0.00 C ATOM 212 CG PRO A 16 6.106 -0.267 1.601 1.00 0.00 C ATOM 213 CD PRO A 16 6.505 1.132 1.982 1.00 0.00 C ATOM 0 HA PRO A 16 8.866 -0.603 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.134 -2.127 1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.588 -1.393 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.220 -0.427 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.060 -0.454 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.379 1.826 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.903 1.511 2.808 1.00 0.00 H new ATOM 221 N GLY A 17 9.491 -2.147 1.251 1.00 0.00 N ATOM 222 CA GLY A 17 10.380 -2.661 0.226 1.00 0.00 C ATOM 223 C GLY A 17 9.943 -4.016 -0.294 1.00 0.00 C ATOM 224 O GLY A 17 8.859 -4.150 -0.862 1.00 0.00 O ATOM 0 H GLY A 17 9.064 -2.858 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.422 -1.954 -0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.389 -2.739 0.630 1.00 0.00 H new ATOM 228 N ASP A 18 10.788 -5.023 -0.102 1.00 0.00 N ATOM 229 CA ASP A 18 10.483 -6.375 -0.556 1.00 0.00 C ATOM 230 C ASP A 18 10.056 -7.258 0.612 1.00 0.00 C ATOM 231 O ASP A 18 10.865 -7.594 1.478 1.00 0.00 O ATOM 232 CB ASP A 18 11.697 -6.986 -1.257 1.00 0.00 C ATOM 233 CG ASP A 18 12.952 -6.915 -0.408 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.113 -7.774 0.484 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.772 -6.001 -0.636 1.00 0.00 O ATOM 0 H ASP A 18 11.690 -4.929 0.365 1.00 0.00 H new ATOM 0 HA ASP A 18 9.656 -6.316 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.486 -8.027 -1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.869 -6.465 -2.199 1.00 0.00 H new ATOM 240 N LEU A 19 8.781 -7.630 0.631 1.00 0.00 N ATOM 241 CA LEU A 19 8.246 -8.473 1.694 1.00 0.00 C ATOM 242 C LEU A 19 7.755 -9.806 1.136 1.00 0.00 C ATOM 243 O LEU A 19 7.524 -9.942 -0.066 1.00 0.00 O ATOM 244 CB LEU A 19 7.102 -7.757 2.413 1.00 0.00 C ATOM 245 CG LEU A 19 7.510 -6.784 3.520 1.00 0.00 C ATOM 246 CD1 LEU A 19 8.000 -5.473 2.925 1.00 0.00 C ATOM 247 CD2 LEU A 19 6.347 -6.539 4.470 1.00 0.00 C ATOM 0 H LEU A 19 8.098 -7.361 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 19 9.048 -8.670 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.520 -7.209 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.442 -8.510 2.844 1.00 0.00 H new ATOM 0 HG LEU A 19 8.328 -7.230 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.286 -4.793 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.863 -5.663 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.203 -5.021 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.655 -5.844 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.509 -6.115 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.042 -7.482 4.923 1.00 0.00 H new ATOM 259 N THR A 20 7.597 -10.788 2.018 1.00 0.00 N ATOM 260 CA THR A 20 7.133 -12.109 1.615 1.00 0.00 C ATOM 261 C THR A 20 5.945 -12.557 2.460 1.00 0.00 C ATOM 262 O THR A 20 6.022 -12.590 3.688 1.00 0.00 O ATOM 263 CB THR A 20 8.255 -13.158 1.731 1.00 0.00 C ATOM 264 OG1 THR A 20 9.510 -12.576 1.361 1.00 0.00 O ATOM 265 CG2 THR A 20 7.966 -14.360 0.845 1.00 0.00 C ATOM 0 H THR A 20 7.784 -10.693 3.016 1.00 0.00 H new ATOM 0 HA THR A 20 6.825 -12.031 0.572 1.00 0.00 H new ATOM 0 HB THR A 20 8.303 -13.494 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.218 -13.249 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.772 -15.087 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.025 -14.818 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.894 -14.037 -0.194 1.00 0.00 H new ATOM 273 N VAL A 21 4.847 -12.900 1.794 1.00 0.00 N ATOM 274 CA VAL A 21 3.643 -13.347 2.485 1.00 0.00 C ATOM 275 C VAL A 21 3.030 -14.558 1.791 1.00 0.00 C ATOM 276 O VAL A 21 2.692 -14.502 0.609 1.00 0.00 O ATOM 277 CB VAL A 21 2.591 -12.226 2.562 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.261 -12.774 3.056 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.079 -11.098 3.459 1.00 0.00 C ATOM 0 H VAL A 21 4.766 -12.877 0.777 1.00 0.00 H new ATOM 0 HA VAL A 21 3.942 -13.623 3.496 1.00 0.00 H new ATOM 0 HB VAL A 21 2.441 -11.824 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.530 -11.967 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.907 -13.544 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.391 -13.205 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.323 -10.314 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.260 -11.483 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.005 -10.687 3.056 1.00 0.00 H new ATOM 289 N GLN A 22 2.889 -15.651 2.534 1.00 0.00 N ATOM 290 CA GLN A 22 2.316 -16.876 1.989 1.00 0.00 C ATOM 291 C GLN A 22 0.851 -16.673 1.616 1.00 0.00 C ATOM 292 O GLN A 22 0.107 -15.999 2.328 1.00 0.00 O ATOM 293 CB GLN A 22 2.443 -18.017 3.000 1.00 0.00 C ATOM 294 CG GLN A 22 2.377 -19.399 2.369 1.00 0.00 C ATOM 295 CD GLN A 22 2.356 -20.510 3.400 1.00 0.00 C ATOM 296 OE1 GLN A 22 3.381 -20.838 3.998 1.00 0.00 O ATOM 297 NE2 GLN A 22 1.184 -21.097 3.613 1.00 0.00 N ATOM 0 H GLN A 22 3.164 -15.713 3.514 1.00 0.00 H new ATOM 0 HA GLN A 22 2.869 -17.136 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.388 -17.915 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.648 -17.926 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.484 -19.468 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.235 -19.535 1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.360 -20.793 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.108 -21.852 4.295 1.00 0.00 H new ATOM 306 N GLU A 23 0.444 -17.259 0.494 1.00 0.00 N ATOM 307 CA GLU A 23 -0.932 -17.140 0.026 1.00 0.00 C ATOM 308 C GLU A 23 -1.915 -17.559 1.115 1.00 0.00 C ATOM 309 O GLU A 23 -1.812 -18.651 1.673 1.00 0.00 O ATOM 310 CB GLU A 23 -1.144 -17.995 -1.225 1.00 0.00 C ATOM 311 CG GLU A 23 -2.429 -17.675 -1.970 1.00 0.00 C ATOM 312 CD GLU A 23 -2.967 -18.863 -2.743 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.163 -19.555 -3.401 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.192 -19.102 -2.689 1.00 0.00 O ATOM 0 H GLU A 23 1.047 -17.820 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.116 -16.095 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.299 -17.854 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.152 -19.047 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.183 -17.338 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.249 -16.850 -2.659 1.00 0.00 H new ATOM 321 N GLY A 24 -2.869 -16.682 1.414 1.00 0.00 N ATOM 322 CA GLY A 24 -3.856 -16.978 2.435 1.00 0.00 C ATOM 323 C GLY A 24 -3.440 -16.482 3.805 1.00 0.00 C ATOM 324 O GLY A 24 -4.001 -16.894 4.821 1.00 0.00 O ATOM 0 H GLY A 24 -2.975 -15.771 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.807 -16.521 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.020 -18.055 2.476 1.00 0.00 H new ATOM 328 N LYS A 25 -2.451 -15.595 3.836 1.00 0.00 N ATOM 329 CA LYS A 25 -1.958 -15.041 5.092 1.00 0.00 C ATOM 330 C LYS A 25 -2.317 -13.564 5.213 1.00 0.00 C ATOM 331 O LYS A 25 -2.829 -12.960 4.269 1.00 0.00 O ATOM 332 CB LYS A 25 -0.441 -15.218 5.190 1.00 0.00 C ATOM 333 CG LYS A 25 -0.005 -16.665 5.338 1.00 0.00 C ATOM 334 CD LYS A 25 -0.511 -17.271 6.637 1.00 0.00 C ATOM 335 CE LYS A 25 0.258 -18.531 7.000 1.00 0.00 C ATOM 336 NZ LYS A 25 -0.052 -18.991 8.383 1.00 0.00 N ATOM 0 H LYS A 25 -1.975 -15.244 3.005 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.434 -15.581 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.024 -14.797 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.071 -14.647 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.378 -17.246 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.083 -16.723 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.417 -16.541 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.571 -17.505 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.014 -19.322 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.328 -18.342 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.492 -19.852 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.204 -18.246 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.069 -19.196 8.461 1.00 0.00 H new ATOM 350 N LEU A 26 -2.045 -12.987 6.378 1.00 0.00 N ATOM 351 CA LEU A 26 -2.338 -11.579 6.622 1.00 0.00 C ATOM 352 C LEU A 26 -1.220 -10.689 6.086 1.00 0.00 C ATOM 353 O LEU A 26 -0.046 -10.902 6.389 1.00 0.00 O ATOM 354 CB LEU A 26 -2.531 -11.329 8.119 1.00 0.00 C ATOM 355 CG LEU A 26 -2.890 -9.898 8.520 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.658 -9.007 8.478 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.980 -9.347 7.612 1.00 0.00 C ATOM 0 H LEU A 26 -1.622 -13.473 7.169 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.260 -11.329 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.316 -11.994 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.613 -11.610 8.635 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.269 -9.912 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.933 -7.992 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.908 -9.390 9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.249 -8.999 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.223 -8.328 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.629 -9.348 6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.870 -9.971 7.692 1.00 0.00 H new ATOM 369 N CYS A 27 -1.594 -9.692 5.292 1.00 0.00 N ATOM 370 CA CYS A 27 -0.623 -8.769 4.715 1.00 0.00 C ATOM 371 C CYS A 27 -0.914 -7.335 5.147 1.00 0.00 C ATOM 372 O CYS A 27 -2.044 -6.860 5.035 1.00 0.00 O ATOM 373 CB CYS A 27 -0.638 -8.868 3.189 1.00 0.00 C ATOM 374 SG CYS A 27 0.099 -7.446 2.350 1.00 0.00 S ATOM 0 H CYS A 27 -2.562 -9.502 5.033 1.00 0.00 H new ATOM 0 HA CYS A 27 0.366 -9.046 5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.105 -9.770 2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.669 -8.980 2.853 1.00 0.00 H new ATOM 0 HG CYS A 27 0.041 -7.623 1.063 1.00 0.00 H new ATOM 380 N ARG A 28 0.113 -6.652 5.642 1.00 0.00 N ATOM 381 CA ARG A 28 -0.033 -5.273 6.093 1.00 0.00 C ATOM 382 C ARG A 28 1.097 -4.402 5.552 1.00 0.00 C ATOM 383 O ARG A 28 2.254 -4.818 5.523 1.00 0.00 O ATOM 384 CB ARG A 28 -0.052 -5.214 7.621 1.00 0.00 C ATOM 385 CG ARG A 28 -0.462 -3.858 8.173 1.00 0.00 C ATOM 386 CD ARG A 28 -1.039 -3.978 9.574 1.00 0.00 C ATOM 387 NE ARG A 28 -0.835 -2.762 10.357 1.00 0.00 N ATOM 388 CZ ARG A 28 0.320 -2.441 10.928 1.00 0.00 C ATOM 389 NH1 ARG A 28 1.370 -3.241 10.804 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.427 -1.316 11.624 1.00 0.00 N ATOM 0 H ARG A 28 1.055 -7.031 5.741 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.979 -4.889 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.739 -5.973 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.939 -5.466 7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.403 -3.194 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.200 -3.403 7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.106 -4.193 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.575 -4.821 10.086 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.623 -2.124 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.292 -4.106 10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.256 -2.992 11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.378 -0.697 11.721 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.315 -1.070 12.062 1.00 0.00 H new ATOM 404 N MET A 29 0.752 -3.191 5.126 1.00 0.00 N ATOM 405 CA MET A 29 1.738 -2.261 4.588 1.00 0.00 C ATOM 406 C MET A 29 1.534 -0.862 5.160 1.00 0.00 C ATOM 407 O MET A 29 0.474 -0.260 4.991 1.00 0.00 O ATOM 408 CB MET A 29 1.649 -2.218 3.061 1.00 0.00 C ATOM 409 CG MET A 29 1.917 -3.560 2.399 1.00 0.00 C ATOM 410 SD MET A 29 2.630 -3.391 0.751 1.00 0.00 S ATOM 411 CE MET A 29 1.192 -3.694 -0.272 1.00 0.00 C ATOM 0 H MET A 29 -0.202 -2.831 5.143 1.00 0.00 H new ATOM 0 HA MET A 29 2.728 -2.612 4.878 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.657 -1.872 2.773 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.364 -1.487 2.684 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.594 -4.141 3.026 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.984 -4.120 2.332 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.324 -4.629 -0.817 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.305 -3.764 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.070 -2.875 -0.980 1.00 0.00 H new ATOM 421 N ASP A 30 2.556 -0.351 5.837 1.00 0.00 N ATOM 422 CA ASP A 30 2.490 0.978 6.434 1.00 0.00 C ATOM 423 C ASP A 30 3.317 1.977 5.630 1.00 0.00 C ATOM 424 O ASP A 30 4.465 1.705 5.278 1.00 0.00 O ATOM 425 CB ASP A 30 2.983 0.936 7.881 1.00 0.00 C ATOM 426 CG ASP A 30 2.370 -0.204 8.669 1.00 0.00 C ATOM 427 OD1 ASP A 30 2.915 -1.326 8.610 1.00 0.00 O ATOM 428 OD2 ASP A 30 1.344 0.024 9.344 1.00 0.00 O ATOM 0 H ASP A 30 3.440 -0.837 5.986 1.00 0.00 H new ATOM 0 HA ASP A 30 1.450 1.303 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.068 0.837 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.746 1.881 8.370 1.00 0.00 H new ATOM 433 N CYS A 31 2.726 3.131 5.343 1.00 0.00 N ATOM 434 CA CYS A 31 3.407 4.170 4.579 1.00 0.00 C ATOM 435 C CYS A 31 2.957 5.557 5.025 1.00 0.00 C ATOM 436 O CYS A 31 1.762 5.847 5.079 1.00 0.00 O ATOM 437 CB CYS A 31 3.140 3.991 3.084 1.00 0.00 C ATOM 438 SG CYS A 31 1.408 4.210 2.612 1.00 0.00 S ATOM 0 H CYS A 31 1.776 3.371 5.628 1.00 0.00 H new ATOM 0 HA CYS A 31 4.477 4.078 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.750 4.704 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.464 2.994 2.785 1.00 0.00 H new ATOM 0 HG CYS A 31 0.654 4.106 3.666 1.00 0.00 H new ATOM 444 N LYS A 32 3.923 6.411 5.347 1.00 0.00 N ATOM 445 CA LYS A 32 3.628 7.769 5.790 1.00 0.00 C ATOM 446 C LYS A 32 4.115 8.792 4.769 1.00 0.00 C ATOM 447 O LYS A 32 5.213 8.668 4.226 1.00 0.00 O ATOM 448 CB LYS A 32 4.280 8.037 7.148 1.00 0.00 C ATOM 449 CG LYS A 32 3.951 6.990 8.198 1.00 0.00 C ATOM 450 CD LYS A 32 4.006 7.571 9.601 1.00 0.00 C ATOM 451 CE LYS A 32 5.426 7.581 10.145 1.00 0.00 C ATOM 452 NZ LYS A 32 5.906 6.208 10.469 1.00 0.00 N ATOM 0 H LYS A 32 4.917 6.187 5.309 1.00 0.00 H new ATOM 0 HA LYS A 32 2.547 7.866 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.361 8.083 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.960 9.014 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.957 6.585 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.654 6.161 8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.612 8.587 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.366 6.988 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.093 8.035 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.467 8.201 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.717 6.268 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.140 5.670 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.197 5.727 9.594 1.00 0.00 H new ATOM 466 N VAL A 33 3.293 9.805 4.514 1.00 0.00 N ATOM 467 CA VAL A 33 3.641 10.851 3.560 1.00 0.00 C ATOM 468 C VAL A 33 3.406 12.236 4.153 1.00 0.00 C ATOM 469 O VAL A 33 2.457 12.446 4.908 1.00 0.00 O ATOM 470 CB VAL A 33 2.829 10.717 2.258 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.338 10.807 2.548 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.250 11.781 1.256 1.00 0.00 C ATOM 0 H VAL A 33 2.381 9.923 4.955 1.00 0.00 H new ATOM 0 HA VAL A 33 4.700 10.731 3.332 1.00 0.00 H new ATOM 0 HB VAL A 33 3.032 9.739 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.780 10.710 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.051 10.005 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.114 11.770 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.666 11.671 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.077 12.770 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.309 11.665 1.026 1.00 0.00 H new ATOM 482 N SER A 34 4.277 13.178 3.806 1.00 0.00 N ATOM 483 CA SER A 34 4.166 14.543 4.307 1.00 0.00 C ATOM 484 C SER A 34 3.795 15.506 3.183 1.00 0.00 C ATOM 485 O SER A 34 4.116 15.271 2.018 1.00 0.00 O ATOM 486 CB SER A 34 5.481 14.979 4.954 1.00 0.00 C ATOM 487 OG SER A 34 5.275 16.052 5.857 1.00 0.00 O ATOM 0 H SER A 34 5.067 13.021 3.180 1.00 0.00 H new ATOM 0 HA SER A 34 3.375 14.566 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.927 14.136 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.188 15.281 4.181 1.00 0.00 H new ATOM 0 HG SER A 34 6.131 16.311 6.258 1.00 0.00 H new ATOM 493 N GLY A 35 3.116 16.591 3.541 1.00 0.00 N ATOM 494 CA GLY A 35 2.712 17.574 2.552 1.00 0.00 C ATOM 495 C GLY A 35 1.457 18.321 2.957 1.00 0.00 C ATOM 496 O GLY A 35 0.546 17.743 3.552 1.00 0.00 O ATOM 0 H GLY A 35 2.838 16.807 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.523 18.287 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.543 17.076 1.597 1.00 0.00 H new ATOM 500 N LEU A 36 1.407 19.608 2.635 1.00 0.00 N ATOM 501 CA LEU A 36 0.254 20.437 2.970 1.00 0.00 C ATOM 502 C LEU A 36 -0.260 21.177 1.739 1.00 0.00 C ATOM 503 O LEU A 36 0.476 21.899 1.066 1.00 0.00 O ATOM 504 CB LEU A 36 0.622 21.439 4.065 1.00 0.00 C ATOM 505 CG LEU A 36 -0.403 22.540 4.340 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.508 22.025 5.250 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.273 23.757 4.954 1.00 0.00 C ATOM 0 H LEU A 36 2.152 20.101 2.142 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.538 19.784 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.792 20.889 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.568 21.910 3.796 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.851 22.838 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.228 22.822 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.011 21.185 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.077 21.699 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.472 24.530 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.748 23.474 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.027 24.140 4.266 1.00 0.00 H new ATOM 519 N PRO A 37 -1.555 20.998 1.439 1.00 0.00 N ATOM 520 CA PRO A 37 -2.441 20.141 2.232 1.00 0.00 C ATOM 521 C PRO A 37 -2.101 18.662 2.086 1.00 0.00 C ATOM 522 O PRO A 37 -1.022 18.306 1.610 1.00 0.00 O ATOM 523 CB PRO A 37 -3.828 20.431 1.653 1.00 0.00 C ATOM 524 CG PRO A 37 -3.568 20.887 0.259 1.00 0.00 C ATOM 525 CD PRO A 37 -2.254 21.617 0.300 1.00 0.00 C ATOM 0 HA PRO A 37 -2.358 20.347 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.457 19.541 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.346 21.197 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.523 20.041 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.366 21.540 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.697 21.494 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.394 22.688 0.448 1.00 0.00 H new ATOM 533 N THR A 38 -3.028 17.803 2.496 1.00 0.00 N ATOM 534 CA THR A 38 -2.826 16.362 2.411 1.00 0.00 C ATOM 535 C THR A 38 -2.651 15.915 0.964 1.00 0.00 C ATOM 536 O THR A 38 -3.521 16.120 0.117 1.00 0.00 O ATOM 537 CB THR A 38 -4.005 15.591 3.035 1.00 0.00 C ATOM 538 OG1 THR A 38 -5.246 16.133 2.569 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.954 15.661 4.554 1.00 0.00 C ATOM 0 H THR A 38 -3.927 18.080 2.891 1.00 0.00 H new ATOM 0 HA THR A 38 -1.918 16.138 2.970 1.00 0.00 H new ATOM 0 HB THR A 38 -3.928 14.547 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.142 16.442 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.796 15.110 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.021 15.222 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.008 16.702 4.872 1.00 0.00 H new ATOM 547 N PRO A 39 -1.501 15.291 0.672 1.00 0.00 N ATOM 548 CA PRO A 39 -1.186 14.801 -0.674 1.00 0.00 C ATOM 549 C PRO A 39 -2.048 13.609 -1.074 1.00 0.00 C ATOM 550 O PRO A 39 -2.025 12.566 -0.420 1.00 0.00 O ATOM 551 CB PRO A 39 0.283 14.385 -0.564 1.00 0.00 C ATOM 552 CG PRO A 39 0.483 14.076 0.879 1.00 0.00 C ATOM 553 CD PRO A 39 -0.420 15.014 1.632 1.00 0.00 C ATOM 0 HA PRO A 39 -1.374 15.556 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.496 13.517 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.946 15.185 -0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.233 13.037 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.524 14.220 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.801 14.558 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.101 15.926 1.924 1.00 0.00 H new ATOM 561 N ASP A 40 -2.809 13.771 -2.151 1.00 0.00 N ATOM 562 CA ASP A 40 -3.678 12.707 -2.639 1.00 0.00 C ATOM 563 C ASP A 40 -2.879 11.666 -3.417 1.00 0.00 C ATOM 564 O ASP A 40 -2.223 11.985 -4.409 1.00 0.00 O ATOM 565 CB ASP A 40 -4.781 13.287 -3.526 1.00 0.00 C ATOM 566 CG ASP A 40 -6.032 12.430 -3.531 1.00 0.00 C ATOM 567 OD1 ASP A 40 -6.046 11.406 -4.246 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.995 12.782 -2.819 1.00 0.00 O ATOM 0 H ASP A 40 -2.842 14.629 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.133 12.220 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.032 14.289 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.408 13.387 -4.545 1.00 0.00 H new ATOM 573 N LEU A 41 -2.938 10.420 -2.959 1.00 0.00 N ATOM 574 CA LEU A 41 -2.219 9.331 -3.611 1.00 0.00 C ATOM 575 C LEU A 41 -3.187 8.268 -4.123 1.00 0.00 C ATOM 576 O LEU A 41 -4.328 8.185 -3.669 1.00 0.00 O ATOM 577 CB LEU A 41 -1.218 8.701 -2.640 1.00 0.00 C ATOM 578 CG LEU A 41 -1.767 8.319 -1.265 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.964 7.173 -0.670 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.757 9.522 -0.334 1.00 0.00 C ATOM 0 H LEU A 41 -3.476 10.139 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.679 9.744 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.805 7.806 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.392 9.398 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.798 7.988 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.369 6.915 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.024 6.306 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.078 7.476 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.151 9.232 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.735 9.884 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.377 10.313 -0.755 1.00 0.00 H new ATOM 592 N SER A 42 -2.722 7.458 -5.068 1.00 0.00 N ATOM 593 CA SER A 42 -3.546 6.401 -5.642 1.00 0.00 C ATOM 594 C SER A 42 -2.741 5.117 -5.816 1.00 0.00 C ATOM 595 O SER A 42 -1.641 5.132 -6.369 1.00 0.00 O ATOM 596 CB SER A 42 -4.116 6.846 -6.990 1.00 0.00 C ATOM 597 OG SER A 42 -5.286 7.626 -6.817 1.00 0.00 O ATOM 0 H SER A 42 -1.779 7.513 -5.453 1.00 0.00 H new ATOM 0 HA SER A 42 -4.369 6.202 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.367 7.423 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.345 5.971 -7.598 1.00 0.00 H new ATOM 0 HG SER A 42 -5.630 7.899 -7.693 1.00 0.00 H new ATOM 603 N TRP A 43 -3.296 4.009 -5.340 1.00 0.00 N ATOM 604 CA TRP A 43 -2.630 2.715 -5.442 1.00 0.00 C ATOM 605 C TRP A 43 -2.885 2.078 -6.804 1.00 0.00 C ATOM 606 O TRP A 43 -3.965 2.227 -7.375 1.00 0.00 O ATOM 607 CB TRP A 43 -3.112 1.781 -4.330 1.00 0.00 C ATOM 608 CG TRP A 43 -2.739 2.251 -2.957 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.484 3.043 -2.131 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.528 1.960 -2.251 1.00 0.00 C ATOM 611 NE1 TRP A 43 -2.810 3.262 -0.954 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.607 2.608 -1.002 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.385 1.214 -2.551 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.587 2.531 -0.058 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.627 1.139 -1.612 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.520 1.793 -0.378 1.00 0.00 C ATOM 0 H TRP A 43 -4.206 3.980 -4.879 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.558 2.876 -5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.196 1.684 -4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.693 0.788 -4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.460 3.439 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.150 3.821 -0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.294 0.705 -3.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.666 3.036 0.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.515 0.566 -1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.327 1.713 0.335 1.00 0.00 H new ATOM 627 N GLN A 44 -1.884 1.370 -7.317 1.00 0.00 N ATOM 628 CA GLN A 44 -2.002 0.711 -8.612 1.00 0.00 C ATOM 629 C GLN A 44 -1.289 -0.638 -8.604 1.00 0.00 C ATOM 630 O GLN A 44 -0.108 -0.725 -8.266 1.00 0.00 O ATOM 631 CB GLN A 44 -1.423 1.600 -9.715 1.00 0.00 C ATOM 632 CG GLN A 44 -2.025 2.995 -9.749 1.00 0.00 C ATOM 633 CD GLN A 44 -1.319 3.911 -10.729 1.00 0.00 C ATOM 634 OE1 GLN A 44 -0.136 3.733 -11.022 1.00 0.00 O ATOM 635 NE2 GLN A 44 -2.042 4.900 -11.243 1.00 0.00 N ATOM 0 H GLN A 44 -0.984 1.238 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.060 0.541 -8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.345 1.682 -9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.585 1.120 -10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.079 2.925 -10.017 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.978 3.431 -8.751 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.019 5.011 -10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.620 5.548 -11.908 1.00 0.00 H new ATOM 644 N LEU A 45 -2.014 -1.687 -8.977 1.00 0.00 N ATOM 645 CA LEU A 45 -1.451 -3.032 -9.012 1.00 0.00 C ATOM 646 C LEU A 45 -1.301 -3.522 -10.448 1.00 0.00 C ATOM 647 O LEU A 45 -2.291 -3.759 -11.140 1.00 0.00 O ATOM 648 CB LEU A 45 -2.336 -3.997 -8.221 1.00 0.00 C ATOM 649 CG LEU A 45 -1.805 -5.423 -8.069 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.434 -5.415 -7.411 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.780 -6.272 -7.266 1.00 0.00 C ATOM 0 H LEU A 45 -2.993 -1.632 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.462 -2.998 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.493 -3.581 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.312 -4.044 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.705 -5.861 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.072 -6.438 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.261 -4.843 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.507 -4.958 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.386 -7.284 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.912 -5.836 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.741 -6.305 -7.779 1.00 0.00 H new ATOM 663 N ASP A 46 -0.057 -3.674 -10.889 1.00 0.00 N ATOM 664 CA ASP A 46 0.223 -4.139 -12.243 1.00 0.00 C ATOM 665 C ASP A 46 -0.252 -3.123 -13.276 1.00 0.00 C ATOM 666 O ASP A 46 -0.837 -3.486 -14.296 1.00 0.00 O ATOM 667 CB ASP A 46 -0.451 -5.490 -12.490 1.00 0.00 C ATOM 668 CG ASP A 46 0.291 -6.329 -13.512 1.00 0.00 C ATOM 669 OD1 ASP A 46 0.007 -6.181 -14.719 1.00 0.00 O ATOM 670 OD2 ASP A 46 1.154 -7.134 -13.104 1.00 0.00 O ATOM 0 H ASP A 46 0.774 -3.482 -10.329 1.00 0.00 H new ATOM 0 HA ASP A 46 1.302 -4.256 -12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.514 -6.039 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.473 -5.326 -12.832 1.00 0.00 H new ATOM 675 N GLY A 47 0.003 -1.846 -13.004 1.00 0.00 N ATOM 676 CA GLY A 47 -0.406 -0.797 -13.919 1.00 0.00 C ATOM 677 C GLY A 47 -1.911 -0.622 -13.965 1.00 0.00 C ATOM 678 O GLY A 47 -2.443 0.013 -14.876 1.00 0.00 O ATOM 0 H GLY A 47 0.485 -1.520 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.057 0.143 -13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.039 -1.028 -14.919 1.00 0.00 H new ATOM 682 N LYS A 48 -2.601 -1.186 -12.979 1.00 0.00 N ATOM 683 CA LYS A 48 -4.054 -1.091 -12.909 1.00 0.00 C ATOM 684 C LYS A 48 -4.496 -0.490 -11.579 1.00 0.00 C ATOM 685 O LYS A 48 -3.839 -0.649 -10.550 1.00 0.00 O ATOM 686 CB LYS A 48 -4.686 -2.472 -13.093 1.00 0.00 C ATOM 687 CG LYS A 48 -4.540 -3.026 -14.499 1.00 0.00 C ATOM 688 CD LYS A 48 -5.579 -2.441 -15.441 1.00 0.00 C ATOM 689 CE LYS A 48 -5.142 -2.554 -16.893 1.00 0.00 C ATOM 690 NZ LYS A 48 -6.037 -1.786 -17.803 1.00 0.00 N ATOM 0 H LYS A 48 -2.176 -1.714 -12.217 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.389 -0.436 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.230 -3.168 -12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.745 -2.414 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.541 -2.806 -14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.639 -4.111 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.528 -2.959 -15.304 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.749 -1.394 -15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.120 -2.188 -16.994 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.136 -3.603 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.706 -1.888 -18.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.007 -2.152 -17.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.024 -0.781 -17.536 1.00 0.00 H new ATOM 704 N PRO A 49 -5.637 0.215 -11.597 1.00 0.00 N ATOM 705 CA PRO A 49 -6.193 0.852 -10.399 1.00 0.00 C ATOM 706 C PRO A 49 -6.724 -0.166 -9.395 1.00 0.00 C ATOM 707 O PRO A 49 -7.796 -0.740 -9.585 1.00 0.00 O ATOM 708 CB PRO A 49 -7.338 1.706 -10.950 1.00 0.00 C ATOM 709 CG PRO A 49 -7.733 1.035 -12.220 1.00 0.00 C ATOM 710 CD PRO A 49 -6.472 0.445 -12.788 1.00 0.00 C ATOM 0 HA PRO A 49 -5.441 1.423 -9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.172 1.750 -10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.017 2.732 -11.128 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.478 0.261 -12.037 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.178 1.747 -12.915 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.669 -0.482 -13.326 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.991 1.125 -13.491 1.00 0.00 H new ATOM 718 N VAL A 50 -5.966 -0.386 -8.325 1.00 0.00 N ATOM 719 CA VAL A 50 -6.361 -1.334 -7.290 1.00 0.00 C ATOM 720 C VAL A 50 -7.453 -0.752 -6.400 1.00 0.00 C ATOM 721 O VAL A 50 -7.227 0.219 -5.678 1.00 0.00 O ATOM 722 CB VAL A 50 -5.161 -1.740 -6.413 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.583 -0.525 -5.704 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.572 -2.808 -5.411 1.00 0.00 C ATOM 0 H VAL A 50 -5.075 0.080 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.744 -2.218 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.386 -2.157 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.736 -0.831 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.250 0.203 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.348 -0.075 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.713 -3.083 -4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.364 -2.420 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.934 -3.687 -5.944 1.00 0.00 H new ATOM 734 N ARG A 51 -8.637 -1.352 -6.456 1.00 0.00 N ATOM 735 CA ARG A 51 -9.766 -0.893 -5.656 1.00 0.00 C ATOM 736 C ARG A 51 -9.922 -1.744 -4.399 1.00 0.00 C ATOM 737 O ARG A 51 -9.690 -2.953 -4.405 1.00 0.00 O ATOM 738 CB ARG A 51 -11.055 -0.938 -6.479 1.00 0.00 C ATOM 739 CG ARG A 51 -11.106 0.100 -7.588 1.00 0.00 C ATOM 740 CD ARG A 51 -11.531 1.461 -7.058 1.00 0.00 C ATOM 741 NE ARG A 51 -12.957 1.505 -6.747 1.00 0.00 N ATOM 742 CZ ARG A 51 -13.568 2.576 -6.251 1.00 0.00 C ATOM 743 NH1 ARG A 51 -12.881 3.684 -6.012 1.00 0.00 N ATOM 744 NH2 ARG A 51 -14.869 2.539 -5.994 1.00 0.00 N ATOM 0 H ARG A 51 -8.840 -2.158 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.572 0.137 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.162 -1.931 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.906 -0.789 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.126 0.181 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.803 -0.225 -8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.957 1.697 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.297 2.227 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.514 0.668 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.881 3.716 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.353 4.504 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.401 1.688 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.337 3.361 -5.613 1.00 0.00 H new ATOM 758 N PRO A 52 -10.325 -1.099 -3.294 1.00 0.00 N ATOM 759 CA PRO A 52 -10.522 -1.776 -2.009 1.00 0.00 C ATOM 760 C PRO A 52 -11.729 -2.708 -2.024 1.00 0.00 C ATOM 761 O PRO A 52 -12.817 -2.323 -2.451 1.00 0.00 O ATOM 762 CB PRO A 52 -10.749 -0.622 -1.030 1.00 0.00 C ATOM 763 CG PRO A 52 -11.280 0.488 -1.870 1.00 0.00 C ATOM 764 CD PRO A 52 -10.620 0.342 -3.214 1.00 0.00 C ATOM 0 HA PRO A 52 -9.675 -2.412 -1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.456 -0.900 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.822 -0.335 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.365 0.426 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.052 1.457 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.278 0.663 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.713 0.942 -3.284 1.00 0.00 H new ATOM 772 N ASP A 53 -11.529 -3.935 -1.555 1.00 0.00 N ATOM 773 CA ASP A 53 -12.602 -4.922 -1.512 1.00 0.00 C ATOM 774 C ASP A 53 -12.665 -5.598 -0.147 1.00 0.00 C ATOM 775 O ASP A 53 -11.864 -5.303 0.741 1.00 0.00 O ATOM 776 CB ASP A 53 -12.402 -5.971 -2.607 1.00 0.00 C ATOM 777 CG ASP A 53 -11.970 -5.359 -3.925 1.00 0.00 C ATOM 778 OD1 ASP A 53 -12.824 -4.753 -4.606 1.00 0.00 O ATOM 779 OD2 ASP A 53 -10.778 -5.484 -4.274 1.00 0.00 O ATOM 0 H ASP A 53 -10.634 -4.270 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.546 -4.404 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.652 -6.692 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.332 -6.521 -2.753 1.00 0.00 H new ATOM 784 N SER A 54 -13.622 -6.506 0.015 1.00 0.00 N ATOM 785 CA SER A 54 -13.793 -7.221 1.274 1.00 0.00 C ATOM 786 C SER A 54 -12.440 -7.580 1.883 1.00 0.00 C ATOM 787 O SER A 54 -12.259 -7.520 3.099 1.00 0.00 O ATOM 788 CB SER A 54 -14.619 -8.490 1.057 1.00 0.00 C ATOM 789 OG SER A 54 -15.930 -8.176 0.619 1.00 0.00 O ATOM 0 H SER A 54 -14.291 -6.764 -0.710 1.00 0.00 H new ATOM 0 HA SER A 54 -14.322 -6.566 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.128 -9.126 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.669 -9.059 1.986 1.00 0.00 H new ATOM 0 HG SER A 54 -16.437 -9.004 0.486 1.00 0.00 H new ATOM 795 N ALA A 55 -11.494 -7.953 1.028 1.00 0.00 N ATOM 796 CA ALA A 55 -10.158 -8.319 1.480 1.00 0.00 C ATOM 797 C ALA A 55 -9.231 -7.108 1.492 1.00 0.00 C ATOM 798 O ALA A 55 -8.638 -6.778 2.519 1.00 0.00 O ATOM 799 CB ALA A 55 -9.584 -9.416 0.595 1.00 0.00 C ATOM 0 H ALA A 55 -11.628 -8.010 0.018 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.237 -8.694 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.586 -9.680 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.228 -10.294 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.527 -9.061 -0.434 1.00 0.00 H new ATOM 805 N HIS A 56 -9.110 -6.450 0.344 1.00 0.00 N ATOM 806 CA HIS A 56 -8.254 -5.275 0.223 1.00 0.00 C ATOM 807 C HIS A 56 -8.923 -4.050 0.839 1.00 0.00 C ATOM 808 O HIS A 56 -9.887 -3.514 0.291 1.00 0.00 O ATOM 809 CB HIS A 56 -7.926 -5.006 -1.246 1.00 0.00 C ATOM 810 CG HIS A 56 -7.188 -6.128 -1.910 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.717 -7.392 -2.059 1.00 0.00 N ATOM 812 CD2 HIS A 56 -5.955 -6.169 -2.467 1.00 0.00 C ATOM 813 CE1 HIS A 56 -6.841 -8.163 -2.678 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.763 -7.445 -2.937 1.00 0.00 N ATOM 0 H HIS A 56 -9.594 -6.710 -0.516 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.329 -5.473 0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.853 -4.820 -1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.328 -4.097 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.253 -5.351 -2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.982 -9.204 -2.930 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.925 -7.783 -3.409 1.00 0.00 H new ATOM 822 N LYS A 57 -8.406 -3.611 1.982 1.00 0.00 N ATOM 823 CA LYS A 57 -8.952 -2.450 2.673 1.00 0.00 C ATOM 824 C LYS A 57 -7.926 -1.324 2.739 1.00 0.00 C ATOM 825 O LYS A 57 -6.774 -1.542 3.115 1.00 0.00 O ATOM 826 CB LYS A 57 -9.395 -2.834 4.087 1.00 0.00 C ATOM 827 CG LYS A 57 -8.248 -2.936 5.077 1.00 0.00 C ATOM 828 CD LYS A 57 -8.578 -3.887 6.216 1.00 0.00 C ATOM 829 CE LYS A 57 -9.445 -3.215 7.269 1.00 0.00 C ATOM 830 NZ LYS A 57 -8.633 -2.432 8.240 1.00 0.00 N ATOM 0 H LYS A 57 -7.609 -4.043 2.449 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.817 -2.097 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.111 -2.095 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.917 -3.790 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.351 -3.281 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.025 -1.948 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.094 -4.762 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.655 -4.241 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.163 -2.556 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.019 -3.972 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.236 -1.723 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.236 -3.073 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.859 -1.952 7.738 1.00 0.00 H new ATOM 844 N MET A 58 -8.351 -0.119 2.373 1.00 0.00 N ATOM 845 CA MET A 58 -7.469 1.042 2.394 1.00 0.00 C ATOM 846 C MET A 58 -7.835 1.983 3.537 1.00 0.00 C ATOM 847 O MET A 58 -8.963 2.472 3.615 1.00 0.00 O ATOM 848 CB MET A 58 -7.541 1.788 1.060 1.00 0.00 C ATOM 849 CG MET A 58 -6.560 1.272 0.021 1.00 0.00 C ATOM 850 SD MET A 58 -7.107 1.586 -1.668 1.00 0.00 S ATOM 851 CE MET A 58 -7.090 -0.073 -2.344 1.00 0.00 C ATOM 0 H MET A 58 -9.301 0.079 2.058 1.00 0.00 H new ATOM 0 HA MET A 58 -6.449 0.690 2.550 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.553 1.709 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.349 2.847 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.590 1.743 0.178 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.420 0.200 0.160 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.692 -0.102 -3.252 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.065 -0.360 -2.579 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.503 -0.768 -1.613 1.00 0.00 H new ATOM 861 N LEU A 59 -6.876 2.232 4.422 1.00 0.00 N ATOM 862 CA LEU A 59 -7.097 3.115 5.562 1.00 0.00 C ATOM 863 C LEU A 59 -6.596 4.525 5.264 1.00 0.00 C ATOM 864 O LEU A 59 -5.646 4.710 4.504 1.00 0.00 O ATOM 865 CB LEU A 59 -6.395 2.563 6.803 1.00 0.00 C ATOM 866 CG LEU A 59 -6.746 1.126 7.190 1.00 0.00 C ATOM 867 CD1 LEU A 59 -5.825 0.630 8.294 1.00 0.00 C ATOM 868 CD2 LEU A 59 -8.201 1.030 7.623 1.00 0.00 C ATOM 0 H LEU A 59 -5.938 1.835 4.372 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.169 3.163 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.318 2.622 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.628 3.212 7.647 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.606 0.490 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.090 -0.394 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.792 0.660 7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.932 1.268 9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.433 0.000 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.368 1.678 8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.846 1.343 6.802 1.00 0.00 H new ATOM 880 N VAL A 60 -7.241 5.517 5.871 1.00 0.00 N ATOM 881 CA VAL A 60 -6.858 6.910 5.674 1.00 0.00 C ATOM 882 C VAL A 60 -6.815 7.661 7.000 1.00 0.00 C ATOM 883 O VAL A 60 -7.738 7.566 7.809 1.00 0.00 O ATOM 884 CB VAL A 60 -7.831 7.630 4.721 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.424 9.084 4.540 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.890 6.913 3.380 1.00 0.00 C ATOM 0 H VAL A 60 -8.030 5.382 6.503 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.863 6.905 5.230 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.827 7.610 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.123 9.576 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.438 9.589 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.419 9.131 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.582 7.435 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.897 6.901 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.233 5.889 3.530 1.00 0.00 H new ATOM 896 N ARG A 61 -5.737 8.407 7.216 1.00 0.00 N ATOM 897 CA ARG A 61 -5.573 9.174 8.445 1.00 0.00 C ATOM 898 C ARG A 61 -5.269 10.637 8.136 1.00 0.00 C ATOM 899 O ARG A 61 -4.221 10.958 7.577 1.00 0.00 O ATOM 900 CB ARG A 61 -4.451 8.578 9.297 1.00 0.00 C ATOM 901 CG ARG A 61 -4.837 7.284 9.994 1.00 0.00 C ATOM 902 CD ARG A 61 -3.614 6.442 10.324 1.00 0.00 C ATOM 903 NE ARG A 61 -2.954 6.893 11.547 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.426 6.658 12.766 1.00 0.00 C ATOM 905 NH1 ARG A 61 -4.555 5.981 12.925 1.00 0.00 N ATOM 906 NH2 ARG A 61 -2.768 7.101 13.830 1.00 0.00 N ATOM 0 H ARG A 61 -4.964 8.497 6.556 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.509 9.125 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.583 8.394 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.149 9.309 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.381 7.512 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.512 6.713 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.911 5.399 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.909 6.486 9.494 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.083 7.417 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.064 5.639 12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.915 5.802 13.863 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.899 7.622 13.712 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.131 6.920 14.766 1.00 0.00 H new ATOM 920 N GLU A 62 -6.193 11.519 8.505 1.00 0.00 N ATOM 921 CA GLU A 62 -6.024 12.947 8.265 1.00 0.00 C ATOM 922 C GLU A 62 -4.562 13.356 8.422 1.00 0.00 C ATOM 923 O GLU A 62 -3.963 13.919 7.507 1.00 0.00 O ATOM 924 CB GLU A 62 -6.896 13.755 9.228 1.00 0.00 C ATOM 925 CG GLU A 62 -8.356 13.828 8.813 1.00 0.00 C ATOM 926 CD GLU A 62 -9.066 12.494 8.939 1.00 0.00 C ATOM 927 OE1 GLU A 62 -9.517 12.164 10.056 1.00 0.00 O ATOM 928 OE2 GLU A 62 -9.170 11.779 7.920 1.00 0.00 O ATOM 0 H GLU A 62 -7.065 11.270 8.971 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.334 13.156 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.831 13.312 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.498 14.767 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.868 14.567 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.420 14.173 7.781 1.00 0.00 H new ATOM 935 N ASN A 63 -3.995 13.068 9.589 1.00 0.00 N ATOM 936 CA ASN A 63 -2.604 13.406 9.866 1.00 0.00 C ATOM 937 C ASN A 63 -1.749 13.265 8.610 1.00 0.00 C ATOM 938 O ASN A 63 -0.951 14.145 8.288 1.00 0.00 O ATOM 939 CB ASN A 63 -2.051 12.509 10.976 1.00 0.00 C ATOM 940 CG ASN A 63 -2.714 12.770 12.314 1.00 0.00 C ATOM 941 OD1 ASN A 63 -3.567 12.000 12.757 1.00 0.00 O ATOM 942 ND2 ASN A 63 -2.324 13.860 12.965 1.00 0.00 N ATOM 0 H ASN A 63 -4.477 12.602 10.357 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.567 14.445 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.194 11.464 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.977 12.670 11.068 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.735 14.088 13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.614 14.469 12.559 1.00 0.00 H new ATOM 949 N GLY A 64 -1.922 12.152 7.904 1.00 0.00 N ATOM 950 CA GLY A 64 -1.161 11.917 6.691 1.00 0.00 C ATOM 951 C GLY A 64 -0.515 10.545 6.669 1.00 0.00 C ATOM 952 O GLY A 64 0.636 10.399 6.257 1.00 0.00 O ATOM 0 H GLY A 64 -2.576 11.409 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.818 12.020 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.389 12.680 6.596 1.00 0.00 H new ATOM 956 N VAL A 65 -1.256 9.537 7.116 1.00 0.00 N ATOM 957 CA VAL A 65 -0.749 8.170 7.146 1.00 0.00 C ATOM 958 C VAL A 65 -1.737 7.203 6.502 1.00 0.00 C ATOM 959 O VAL A 65 -2.853 7.023 6.989 1.00 0.00 O ATOM 960 CB VAL A 65 -0.463 7.709 8.588 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.021 6.254 8.606 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.586 8.602 9.233 1.00 0.00 C ATOM 0 H VAL A 65 -2.210 9.641 7.463 1.00 0.00 H new ATOM 0 HA VAL A 65 0.182 8.165 6.579 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.383 7.791 9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.176 5.946 9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.809 5.629 8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.887 6.142 8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.776 8.263 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.509 8.554 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.225 9.630 9.255 1.00 0.00 H new ATOM 972 N HIS A 66 -1.318 6.582 5.404 1.00 0.00 N ATOM 973 CA HIS A 66 -2.165 5.632 4.693 1.00 0.00 C ATOM 974 C HIS A 66 -1.658 4.205 4.881 1.00 0.00 C ATOM 975 O HIS A 66 -0.462 3.981 5.068 1.00 0.00 O ATOM 976 CB HIS A 66 -2.214 5.975 3.204 1.00 0.00 C ATOM 977 CG HIS A 66 -3.271 6.978 2.855 1.00 0.00 C ATOM 978 ND1 HIS A 66 -4.309 6.708 1.989 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.447 8.257 3.263 1.00 0.00 C ATOM 980 CE1 HIS A 66 -5.076 7.777 1.878 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.576 8.731 2.642 1.00 0.00 N ATOM 0 H HIS A 66 -0.397 6.720 4.988 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.171 5.699 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.242 6.361 2.896 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.389 5.062 2.635 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.461 5.821 1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.817 8.803 3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.962 7.858 1.266 1.00 0.00 H new ATOM 989 N SER A 67 -2.575 3.244 4.831 1.00 0.00 N ATOM 990 CA SER A 67 -2.221 1.840 5.001 1.00 0.00 C ATOM 991 C SER A 67 -3.017 0.960 4.042 1.00 0.00 C ATOM 992 O SER A 67 -4.124 1.311 3.631 1.00 0.00 O ATOM 993 CB SER A 67 -2.474 1.399 6.444 1.00 0.00 C ATOM 994 OG SER A 67 -1.742 2.199 7.357 1.00 0.00 O ATOM 0 H SER A 67 -3.569 3.412 4.674 1.00 0.00 H new ATOM 0 HA SER A 67 -1.161 1.728 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.539 1.468 6.667 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.190 0.353 6.563 1.00 0.00 H new ATOM 0 HG SER A 67 -1.922 1.899 8.272 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.446 -0.187 3.689 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.100 -1.119 2.778 1.00 0.00 C ATOM 1002 C LEU A 68 -3.037 -2.544 3.320 1.00 0.00 C ATOM 1003 O LEU A 68 -1.999 -3.202 3.242 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.447 -1.057 1.397 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.069 -1.946 0.319 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.465 -1.457 -0.036 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.184 -1.983 -0.918 1.00 0.00 C ATOM 0 H LEU A 68 -1.531 -0.493 4.020 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.147 -0.829 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.477 -0.024 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.396 -1.328 1.502 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.150 -2.959 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.892 -2.102 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.097 -1.484 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.408 -0.435 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.642 -2.620 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.070 -0.974 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.205 -2.381 -0.653 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.153 -3.014 3.865 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.225 -4.362 4.416 1.00 0.00 C ATOM 1021 C ILE A 69 -5.010 -5.291 3.496 1.00 0.00 C ATOM 1022 O ILE A 69 -5.984 -4.879 2.866 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.880 -4.366 5.810 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -3.989 -3.637 6.818 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.147 -5.793 6.265 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.757 -3.002 7.955 1.00 0.00 C ATOM 0 H ILE A 69 -5.020 -2.482 3.937 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.200 -4.722 4.504 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.833 -3.840 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.266 -4.342 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.422 -2.865 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.610 -5.780 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.816 -6.282 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.206 -6.342 6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.062 -2.503 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.461 -2.272 7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.303 -3.772 8.500 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.579 -6.546 3.424 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.243 -7.534 2.583 1.00 0.00 C ATOM 1040 C ILE A 70 -5.366 -8.874 3.301 1.00 0.00 C ATOM 1041 O ILE A 70 -4.372 -9.433 3.763 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.489 -7.742 1.256 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -4.182 -6.393 0.602 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -5.302 -8.620 0.317 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -3.241 -6.494 -0.578 1.00 0.00 C ATOM 0 H ILE A 70 -3.773 -6.902 3.938 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.239 -7.147 2.368 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.545 -8.246 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.116 -5.937 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.747 -5.728 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.756 -8.758 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.474 -9.590 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.260 -8.142 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.068 -5.500 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.293 -6.921 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.683 -7.133 -1.342 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.591 -9.382 3.388 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.842 -10.658 4.049 1.00 0.00 C ATOM 1059 C GLU A 71 -8.225 -11.194 3.689 1.00 0.00 C ATOM 1060 O GLU A 71 -9.244 -10.530 3.880 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.722 -10.503 5.567 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.608 -11.826 6.306 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.893 -12.630 6.264 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.895 -12.179 6.858 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.896 -13.710 5.638 1.00 0.00 O ATOM 0 H GLU A 71 -7.424 -8.931 3.010 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.094 -11.371 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.847 -9.893 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.593 -9.962 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.801 -12.414 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.337 -11.636 7.344 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.262 -12.423 3.155 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.055 -13.222 2.923 1.00 0.00 C ATOM 1074 C PRO A 72 -6.191 -12.655 1.802 1.00 0.00 C ATOM 1075 O PRO A 72 -6.452 -11.563 1.295 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.607 -14.594 2.530 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.959 -14.312 1.972 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.484 -13.129 2.736 1.00 0.00 C ATOM 0 HA PRO A 72 -6.406 -13.243 3.799 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.968 -15.082 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.665 -15.259 3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.903 -14.094 0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.616 -15.174 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.119 -12.498 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.083 -13.438 3.593 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.161 -13.402 1.418 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.259 -12.974 0.355 1.00 0.00 C ATOM 1088 C VAL A 73 -4.164 -14.028 -0.743 1.00 0.00 C ATOM 1089 O VAL A 73 -4.143 -15.228 -0.467 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.847 -12.686 0.899 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.834 -12.655 -0.235 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.832 -11.377 1.674 1.00 0.00 C ATOM 0 H VAL A 73 -4.930 -14.307 1.827 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.674 -12.056 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.568 -13.489 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.842 -12.450 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.827 -13.619 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.106 -11.873 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.827 -11.189 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.131 -10.561 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.527 -11.442 2.511 1.00 0.00 H new ATOM 1102 N THR A 74 -4.106 -13.571 -1.990 1.00 0.00 N ATOM 1103 CA THR A 74 -4.014 -14.474 -3.131 1.00 0.00 C ATOM 1104 C THR A 74 -2.786 -14.165 -3.978 1.00 0.00 C ATOM 1105 O THR A 74 -2.044 -13.224 -3.694 1.00 0.00 O ATOM 1106 CB THR A 74 -5.271 -14.389 -4.018 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.268 -13.161 -4.754 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.534 -14.478 -3.176 1.00 0.00 C ATOM 0 H THR A 74 -4.121 -12.581 -2.236 1.00 0.00 H new ATOM 0 HA THR A 74 -3.930 -15.484 -2.729 1.00 0.00 H new ATOM 0 HB THR A 74 -5.257 -15.229 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.069 -13.115 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.408 -14.416 -3.824 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.547 -15.426 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.553 -13.656 -2.461 1.00 0.00 H new ATOM 1116 N SER A 75 -2.576 -14.962 -5.021 1.00 0.00 N ATOM 1117 CA SER A 75 -1.435 -14.775 -5.909 1.00 0.00 C ATOM 1118 C SER A 75 -1.569 -13.477 -6.700 1.00 0.00 C ATOM 1119 O SER A 75 -0.582 -12.940 -7.204 1.00 0.00 O ATOM 1120 CB SER A 75 -1.309 -15.959 -6.869 1.00 0.00 C ATOM 1121 OG SER A 75 -1.058 -17.163 -6.165 1.00 0.00 O ATOM 0 H SER A 75 -3.182 -15.744 -5.272 1.00 0.00 H new ATOM 0 HA SER A 75 -0.536 -14.716 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.226 -16.059 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.501 -15.773 -7.577 1.00 0.00 H new ATOM 0 HG SER A 75 -0.983 -17.905 -6.801 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.796 -12.979 -6.804 1.00 0.00 N ATOM 1128 CA ARG A 76 -3.061 -11.745 -7.534 1.00 0.00 C ATOM 1129 C ARG A 76 -2.418 -10.551 -6.833 1.00 0.00 C ATOM 1130 O ARG A 76 -2.098 -9.545 -7.468 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.568 -11.520 -7.669 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.930 -10.214 -8.357 1.00 0.00 C ATOM 1133 CD ARG A 76 -4.666 -10.281 -9.853 1.00 0.00 C ATOM 1134 NE ARG A 76 -5.788 -10.869 -10.580 1.00 0.00 N ATOM 1135 CZ ARG A 76 -5.839 -10.959 -11.904 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -4.836 -10.503 -12.642 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -6.894 -11.508 -12.493 1.00 0.00 N ATOM 0 H ARG A 76 -3.623 -13.411 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.625 -11.840 -8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.002 -12.348 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.019 -11.535 -6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.982 -9.989 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.352 -9.399 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.474 -9.278 -10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.767 -10.869 -10.037 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.575 -11.230 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.023 -10.082 -12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.878 -10.573 -13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.667 -11.861 -11.929 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.932 -11.577 -13.510 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.234 -10.669 -5.523 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.629 -9.600 -4.737 1.00 0.00 C ATOM 1153 C ASP A 77 -0.145 -9.462 -5.058 1.00 0.00 C ATOM 1154 O ASP A 77 0.484 -8.461 -4.716 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.817 -9.868 -3.243 1.00 0.00 C ATOM 1156 CG ASP A 77 -0.853 -9.072 -2.386 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -0.982 -7.830 -2.344 1.00 0.00 O ATOM 1158 OD2 ASP A 77 0.030 -9.690 -1.756 1.00 0.00 O ATOM 0 H ASP A 77 -2.495 -11.494 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.127 -8.666 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.840 -9.621 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.679 -10.931 -3.048 1.00 0.00 H new ATOM 1163 N ALA A 78 0.410 -10.474 -5.717 1.00 0.00 N ATOM 1164 CA ALA A 78 1.820 -10.464 -6.086 1.00 0.00 C ATOM 1165 C ALA A 78 2.069 -9.550 -7.280 1.00 0.00 C ATOM 1166 O ALA A 78 1.517 -9.757 -8.360 1.00 0.00 O ATOM 1167 CB ALA A 78 2.295 -11.877 -6.393 1.00 0.00 C ATOM 0 H ALA A 78 -0.096 -11.311 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 78 2.388 -10.076 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.350 -11.855 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.162 -12.505 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.714 -12.285 -7.220 1.00 0.00 H new ATOM 1173 N GLY A 79 2.905 -8.535 -7.079 1.00 0.00 N ATOM 1174 CA GLY A 79 3.212 -7.603 -8.149 1.00 0.00 C ATOM 1175 C GLY A 79 3.874 -6.337 -7.642 1.00 0.00 C ATOM 1176 O GLY A 79 4.191 -6.226 -6.458 1.00 0.00 O ATOM 0 H GLY A 79 3.375 -8.342 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.868 -8.088 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.294 -7.343 -8.675 1.00 0.00 H new ATOM 1180 N ILE A 80 4.083 -5.381 -8.541 1.00 0.00 N ATOM 1181 CA ILE A 80 4.712 -4.117 -8.178 1.00 0.00 C ATOM 1182 C ILE A 80 3.672 -3.017 -8.001 1.00 0.00 C ATOM 1183 O ILE A 80 3.035 -2.588 -8.964 1.00 0.00 O ATOM 1184 CB ILE A 80 5.737 -3.673 -9.239 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.708 -4.814 -9.549 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.492 -2.442 -8.762 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.199 -5.542 -8.318 1.00 0.00 C ATOM 0 H ILE A 80 3.826 -5.458 -9.525 1.00 0.00 H new ATOM 0 HA ILE A 80 5.228 -4.281 -7.232 1.00 0.00 H new ATOM 0 HB ILE A 80 5.204 -3.416 -10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.218 -5.527 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.565 -4.414 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.213 -2.140 -9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.788 -1.629 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.017 -2.674 -7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.883 -6.337 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.718 -4.842 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.350 -5.973 -7.787 1.00 0.00 H new ATOM 1199 N TYR A 81 3.505 -2.562 -6.764 1.00 0.00 N ATOM 1200 CA TYR A 81 2.541 -1.510 -6.459 1.00 0.00 C ATOM 1201 C TYR A 81 3.134 -0.132 -6.734 1.00 0.00 C ATOM 1202 O TYR A 81 4.143 0.254 -6.143 1.00 0.00 O ATOM 1203 CB TYR A 81 2.097 -1.605 -4.999 1.00 0.00 C ATOM 1204 CG TYR A 81 1.184 -2.777 -4.718 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.703 -4.028 -4.406 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.197 -2.634 -4.764 1.00 0.00 C ATOM 1207 CE1 TYR A 81 0.873 -5.102 -4.150 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -1.035 -3.702 -4.508 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.495 -4.934 -4.202 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.326 -6.001 -3.946 1.00 0.00 O ATOM 0 H TYR A 81 4.024 -2.905 -5.956 1.00 0.00 H new ATOM 0 HA TYR A 81 1.674 -1.648 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.980 -1.683 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.586 -0.683 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.774 -4.163 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.623 -1.671 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.293 -6.068 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.107 -3.573 -4.547 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.825 -6.701 -3.477 1.00 0.00 H new ATOM 1220 N THR A 82 2.499 0.609 -7.637 1.00 0.00 N ATOM 1221 CA THR A 82 2.961 1.945 -7.992 1.00 0.00 C ATOM 1222 C THR A 82 2.006 3.013 -7.474 1.00 0.00 C ATOM 1223 O THR A 82 0.865 3.112 -7.927 1.00 0.00 O ATOM 1224 CB THR A 82 3.110 2.101 -9.518 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.041 1.136 -10.021 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.580 3.502 -9.875 1.00 0.00 C ATOM 0 H THR A 82 1.663 0.306 -8.136 1.00 0.00 H new ATOM 0 HA THR A 82 3.936 2.077 -7.524 1.00 0.00 H new ATOM 0 HB THR A 82 2.134 1.935 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.129 1.241 -10.991 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.678 3.588 -10.957 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.854 4.232 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.546 3.692 -9.407 1.00 0.00 H new ATOM 1234 N CYS A 83 2.479 3.811 -6.523 1.00 0.00 N ATOM 1235 CA CYS A 83 1.665 4.874 -5.943 1.00 0.00 C ATOM 1236 C CYS A 83 2.231 6.246 -6.295 1.00 0.00 C ATOM 1237 O CYS A 83 3.447 6.437 -6.325 1.00 0.00 O ATOM 1238 CB CYS A 83 1.589 4.715 -4.424 1.00 0.00 C ATOM 1239 SG CYS A 83 0.094 5.410 -3.683 1.00 0.00 S ATOM 0 H CYS A 83 3.421 3.742 -6.137 1.00 0.00 H new ATOM 0 HA CYS A 83 0.661 4.798 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.645 3.655 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.460 5.193 -3.975 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.216 4.734 -2.617 1.00 0.00 H new ATOM 1245 N ILE A 84 1.342 7.197 -6.561 1.00 0.00 N ATOM 1246 CA ILE A 84 1.754 8.550 -6.912 1.00 0.00 C ATOM 1247 C ILE A 84 0.959 9.587 -6.126 1.00 0.00 C ATOM 1248 O ILE A 84 -0.259 9.691 -6.270 1.00 0.00 O ATOM 1249 CB ILE A 84 1.579 8.820 -8.418 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.490 7.899 -9.232 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.874 10.279 -8.733 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.865 6.560 -9.554 1.00 0.00 C ATOM 0 H ILE A 84 0.332 7.055 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 84 2.810 8.634 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 84 0.545 8.612 -8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.759 8.398 -10.163 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.415 7.735 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.746 10.454 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.188 10.917 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.900 10.513 -8.448 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.568 5.960 -10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.621 6.040 -8.628 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.955 6.713 -10.134 1.00 0.00 H new ATOM 1264 N ALA A 85 1.656 10.355 -5.295 1.00 0.00 N ATOM 1265 CA ALA A 85 1.016 11.387 -4.489 1.00 0.00 C ATOM 1266 C ALA A 85 1.151 12.757 -5.144 1.00 0.00 C ATOM 1267 O ALA A 85 2.251 13.301 -5.251 1.00 0.00 O ATOM 1268 CB ALA A 85 1.612 11.408 -3.089 1.00 0.00 C ATOM 0 H ALA A 85 2.665 10.282 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.046 11.151 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.125 12.183 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.459 10.439 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.680 11.617 -3.151 1.00 0.00 H new ATOM 1274 N THR A 86 0.025 13.312 -5.583 1.00 0.00 N ATOM 1275 CA THR A 86 0.018 14.618 -6.229 1.00 0.00 C ATOM 1276 C THR A 86 -0.735 15.643 -5.389 1.00 0.00 C ATOM 1277 O THR A 86 -1.951 15.551 -5.224 1.00 0.00 O ATOM 1278 CB THR A 86 -0.622 14.548 -7.629 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.251 13.327 -8.276 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.189 15.732 -8.481 1.00 0.00 C ATOM 0 H THR A 86 -0.894 12.877 -5.503 1.00 0.00 H new ATOM 0 HA THR A 86 1.058 14.928 -6.328 1.00 0.00 H new ATOM 0 HB THR A 86 -1.705 14.582 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.663 13.289 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.653 15.661 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.499 16.659 -7.999 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.896 15.724 -8.590 1.00 0.00 H new ATOM 1288 N ASN A 87 -0.005 16.620 -4.861 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.606 17.663 -4.037 1.00 0.00 C ATOM 1290 C ASN A 87 -0.383 19.040 -4.656 1.00 0.00 C ATOM 1291 O ASN A 87 0.170 19.158 -5.749 1.00 0.00 O ATOM 1292 CB ASN A 87 -0.021 17.626 -2.624 1.00 0.00 C ATOM 1293 CG ASN A 87 1.261 18.427 -2.508 1.00 0.00 C ATOM 1294 OD1 ASN A 87 1.914 18.724 -3.508 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.629 18.780 -1.281 1.00 0.00 N ATOM 0 H ASN A 87 1.003 16.711 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.679 17.477 -3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.755 18.017 -1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.173 16.591 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.483 19.319 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.057 18.512 -0.480 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.817 20.078 -3.948 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.665 21.446 -4.427 1.00 0.00 C ATOM 1304 C ARG A 88 0.795 21.751 -4.751 1.00 0.00 C ATOM 1305 O ARG A 88 1.100 22.359 -5.776 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.184 22.436 -3.382 1.00 0.00 C ATOM 1307 CG ARG A 88 -2.686 22.657 -3.446 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.435 21.347 -3.634 1.00 0.00 C ATOM 1309 NE ARG A 88 -4.876 21.552 -3.758 1.00 0.00 N ATOM 1310 CZ ARG A 88 -5.777 20.611 -3.501 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.389 19.406 -3.107 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -7.070 20.875 -3.637 1.00 0.00 N ATOM 0 H ARG A 88 -1.277 19.997 -3.041 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.251 21.551 -5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.921 22.074 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.678 23.392 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.023 23.141 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.921 23.333 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.063 20.842 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.234 20.690 -2.788 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.208 22.468 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.396 19.200 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.084 18.685 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.372 21.801 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.762 20.152 -3.439 1.00 0.00 H new ATOM 1326 N ALA A 89 1.692 21.323 -3.869 1.00 0.00 N ATOM 1327 CA ALA A 89 3.119 21.549 -4.061 1.00 0.00 C ATOM 1328 C ALA A 89 3.597 20.950 -5.380 1.00 0.00 C ATOM 1329 O ALA A 89 4.001 21.672 -6.291 1.00 0.00 O ATOM 1330 CB ALA A 89 3.907 20.964 -2.898 1.00 0.00 C ATOM 0 H ALA A 89 1.456 20.818 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 89 3.290 22.625 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.971 21.140 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.593 21.441 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.722 19.892 -2.836 1.00 0.00 H new ATOM 1336 N GLY A 90 3.548 19.625 -5.475 1.00 0.00 N ATOM 1337 CA GLY A 90 3.979 18.951 -6.686 1.00 0.00 C ATOM 1338 C GLY A 90 3.432 17.542 -6.792 1.00 0.00 C ATOM 1339 O GLY A 90 2.223 17.331 -6.708 1.00 0.00 O ATOM 0 H GLY A 90 3.217 19.006 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.658 19.528 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.068 18.917 -6.711 1.00 0.00 H new ATOM 1343 N GLN A 91 4.325 16.575 -6.979 1.00 0.00 N ATOM 1344 CA GLN A 91 3.924 15.178 -7.099 1.00 0.00 C ATOM 1345 C GLN A 91 5.084 14.248 -6.761 1.00 0.00 C ATOM 1346 O GLN A 91 6.247 14.588 -6.973 1.00 0.00 O ATOM 1347 CB GLN A 91 3.419 14.890 -8.514 1.00 0.00 C ATOM 1348 CG GLN A 91 3.248 13.409 -8.810 1.00 0.00 C ATOM 1349 CD GLN A 91 3.131 13.119 -10.293 1.00 0.00 C ATOM 1350 OE1 GLN A 91 3.827 12.255 -10.825 1.00 0.00 O ATOM 1351 NE2 GLN A 91 2.247 13.843 -10.970 1.00 0.00 N ATOM 0 H GLN A 91 5.330 16.733 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 91 3.117 14.995 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.463 15.394 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.117 15.318 -9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.097 12.861 -8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.357 13.041 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.690 14.549 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.125 13.693 -11.971 1.00 0.00 H new ATOM 1360 N ASN A 92 4.759 13.072 -6.234 1.00 0.00 N ATOM 1361 CA ASN A 92 5.774 12.092 -5.866 1.00 0.00 C ATOM 1362 C ASN A 92 5.292 10.674 -6.155 1.00 0.00 C ATOM 1363 O ASN A 92 4.096 10.436 -6.325 1.00 0.00 O ATOM 1364 CB ASN A 92 6.131 12.229 -4.384 1.00 0.00 C ATOM 1365 CG ASN A 92 7.558 11.807 -4.092 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.510 12.442 -4.545 1.00 0.00 O ATOM 1367 ND2 ASN A 92 7.712 10.730 -3.330 1.00 0.00 N ATOM 0 H ASN A 92 3.800 12.775 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 92 6.663 12.284 -6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.990 13.264 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.447 11.622 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.649 10.399 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.894 10.234 -2.976 1.00 0.00 H new ATOM 1374 N SER A 93 6.231 9.735 -6.210 1.00 0.00 N ATOM 1375 CA SER A 93 5.904 8.340 -6.482 1.00 0.00 C ATOM 1376 C SER A 93 6.950 7.408 -5.878 1.00 0.00 C ATOM 1377 O SER A 93 8.021 7.847 -5.459 1.00 0.00 O ATOM 1378 CB SER A 93 5.803 8.103 -7.990 1.00 0.00 C ATOM 1379 OG SER A 93 7.070 8.226 -8.611 1.00 0.00 O ATOM 0 H SER A 93 7.225 9.915 -6.070 1.00 0.00 H new ATOM 0 HA SER A 93 4.940 8.122 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.397 7.109 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.109 8.820 -8.428 1.00 0.00 H new ATOM 0 HG SER A 93 6.979 8.068 -9.574 1.00 0.00 H new ATOM 1385 N PHE A 94 6.630 6.119 -5.835 1.00 0.00 N ATOM 1386 CA PHE A 94 7.541 5.124 -5.282 1.00 0.00 C ATOM 1387 C PHE A 94 7.121 3.715 -5.691 1.00 0.00 C ATOM 1388 O PHE A 94 5.932 3.400 -5.741 1.00 0.00 O ATOM 1389 CB PHE A 94 7.583 5.233 -3.756 1.00 0.00 C ATOM 1390 CG PHE A 94 6.561 4.377 -3.065 1.00 0.00 C ATOM 1391 CD1 PHE A 94 5.240 4.785 -2.980 1.00 0.00 C ATOM 1392 CD2 PHE A 94 6.921 3.164 -2.501 1.00 0.00 C ATOM 1393 CE1 PHE A 94 4.296 4.000 -2.345 1.00 0.00 C ATOM 1394 CE2 PHE A 94 5.982 2.374 -1.865 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.668 2.793 -1.786 1.00 0.00 C ATOM 0 H PHE A 94 5.747 5.739 -6.176 1.00 0.00 H new ATOM 0 HA PHE A 94 8.537 5.318 -5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.577 4.952 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.427 6.273 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.944 5.728 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.947 2.832 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 94 3.269 4.330 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.275 1.430 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.933 2.178 -1.288 1.00 0.00 H new ATOM 1405 N SER A 95 8.105 2.871 -5.982 1.00 0.00 N ATOM 1406 CA SER A 95 7.839 1.497 -6.391 1.00 0.00 C ATOM 1407 C SER A 95 8.250 0.516 -5.298 1.00 0.00 C ATOM 1408 O SER A 95 9.137 0.801 -4.492 1.00 0.00 O ATOM 1409 CB SER A 95 8.584 1.175 -7.688 1.00 0.00 C ATOM 1410 OG SER A 95 9.987 1.262 -7.505 1.00 0.00 O ATOM 0 H SER A 95 9.095 3.115 -5.942 1.00 0.00 H new ATOM 0 HA SER A 95 6.767 1.396 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.319 0.172 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.273 1.866 -8.471 1.00 0.00 H new ATOM 0 HG SER A 95 10.441 1.050 -8.348 1.00 0.00 H new ATOM 1416 N LEU A 96 7.599 -0.642 -5.276 1.00 0.00 N ATOM 1417 CA LEU A 96 7.895 -1.668 -4.282 1.00 0.00 C ATOM 1418 C LEU A 96 7.611 -3.061 -4.836 1.00 0.00 C ATOM 1419 O LEU A 96 6.869 -3.214 -5.805 1.00 0.00 O ATOM 1420 CB LEU A 96 7.070 -1.432 -3.016 1.00 0.00 C ATOM 1421 CG LEU A 96 5.618 -1.907 -3.062 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.513 -3.351 -2.596 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.734 -1.006 -2.213 1.00 0.00 C ATOM 0 H LEU A 96 6.863 -0.894 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 96 8.955 -1.605 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.568 -1.930 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.075 -0.364 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 96 5.272 -1.854 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.472 -3.671 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.114 -3.988 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.878 -3.430 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.704 -1.360 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.080 -1.026 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.784 0.015 -2.592 1.00 0.00 H new ATOM 1435 N GLU A 97 8.205 -4.072 -4.211 1.00 0.00 N ATOM 1436 CA GLU A 97 8.014 -5.453 -4.641 1.00 0.00 C ATOM 1437 C GLU A 97 7.349 -6.278 -3.543 1.00 0.00 C ATOM 1438 O GLU A 97 7.575 -6.046 -2.355 1.00 0.00 O ATOM 1439 CB GLU A 97 9.356 -6.081 -5.025 1.00 0.00 C ATOM 1440 CG GLU A 97 9.252 -7.544 -5.421 1.00 0.00 C ATOM 1441 CD GLU A 97 8.884 -7.729 -6.880 1.00 0.00 C ATOM 1442 OE1 GLU A 97 9.704 -7.368 -7.750 1.00 0.00 O ATOM 1443 OE2 GLU A 97 7.775 -8.235 -7.152 1.00 0.00 O ATOM 0 H GLU A 97 8.822 -3.962 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 97 7.361 -5.448 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.787 -5.519 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.044 -5.989 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.204 -8.038 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.504 -8.033 -4.797 1.00 0.00 H new ATOM 1450 N LEU A 98 6.529 -7.240 -3.949 1.00 0.00 N ATOM 1451 CA LEU A 98 5.830 -8.101 -3.001 1.00 0.00 C ATOM 1452 C LEU A 98 5.780 -9.539 -3.505 1.00 0.00 C ATOM 1453 O LEU A 98 5.149 -9.830 -4.522 1.00 0.00 O ATOM 1454 CB LEU A 98 4.411 -7.582 -2.763 1.00 0.00 C ATOM 1455 CG LEU A 98 3.526 -8.440 -1.858 1.00 0.00 C ATOM 1456 CD1 LEU A 98 4.073 -8.460 -0.439 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.093 -7.928 -1.872 1.00 0.00 C ATOM 0 H LEU A 98 6.331 -7.444 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 98 6.379 -8.085 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.478 -6.584 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.917 -7.479 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 98 3.530 -9.460 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.430 -9.075 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.081 -8.875 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.101 -7.444 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.478 -8.551 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.071 -6.898 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.702 -7.968 -2.889 1.00 0.00 H new ATOM 1469 N VAL A 99 6.448 -10.436 -2.787 1.00 0.00 N ATOM 1470 CA VAL A 99 6.477 -11.846 -3.159 1.00 0.00 C ATOM 1471 C VAL A 99 5.406 -12.633 -2.414 1.00 0.00 C ATOM 1472 O VAL A 99 5.112 -12.355 -1.251 1.00 0.00 O ATOM 1473 CB VAL A 99 7.854 -12.474 -2.872 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.928 -13.882 -3.442 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.965 -11.602 -3.437 1.00 0.00 C ATOM 0 H VAL A 99 6.977 -10.212 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 99 6.280 -11.895 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 99 7.987 -12.538 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.908 -14.310 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.155 -14.501 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.774 -13.847 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.931 -12.061 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.838 -11.504 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.923 -10.615 -2.976 1.00 0.00 H new ATOM 1485 N VAL A 100 4.825 -13.619 -3.091 1.00 0.00 N ATOM 1486 CA VAL A 100 3.786 -14.449 -2.492 1.00 0.00 C ATOM 1487 C VAL A 100 4.086 -15.931 -2.689 1.00 0.00 C ATOM 1488 O VAL A 100 4.194 -16.408 -3.818 1.00 0.00 O ATOM 1489 CB VAL A 100 2.402 -14.133 -3.088 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.370 -15.142 -2.608 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.980 -12.715 -2.731 1.00 0.00 C ATOM 0 H VAL A 100 5.056 -13.862 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 100 3.774 -14.222 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 100 2.468 -14.206 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.398 -14.902 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.668 -16.143 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.303 -15.105 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.000 -12.508 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.931 -12.612 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.707 -12.008 -3.130 1.00 0.00 H new ATOM 1501 N ALA A 101 4.219 -16.654 -1.582 1.00 0.00 N ATOM 1502 CA ALA A 101 4.503 -18.083 -1.633 1.00 0.00 C ATOM 1503 C ALA A 101 3.218 -18.901 -1.569 1.00 0.00 C ATOM 1504 O ALA A 101 2.474 -18.831 -0.591 1.00 0.00 O ATOM 1505 CB ALA A 101 5.438 -18.475 -0.499 1.00 0.00 C ATOM 0 H ALA A 101 4.135 -16.274 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 101 4.992 -18.298 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.642 -19.545 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.373 -17.923 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.970 -18.239 0.457 1.00 0.00 H new ATOM 1511 N ALA A 102 2.963 -19.676 -2.618 1.00 0.00 N ATOM 1512 CA ALA A 102 1.768 -20.509 -2.680 1.00 0.00 C ATOM 1513 C ALA A 102 1.764 -21.547 -1.563 1.00 0.00 C ATOM 1514 O ALA A 102 2.815 -22.052 -1.167 1.00 0.00 O ATOM 1515 CB ALA A 102 1.669 -21.190 -4.037 1.00 0.00 C ATOM 0 H ALA A 102 3.568 -19.744 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 102 0.899 -19.865 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.772 -21.809 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.617 -20.434 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.547 -21.816 -4.195 1.00 0.00 H new ATOM 1521 N LYS A 103 0.576 -21.862 -1.058 1.00 0.00 N ATOM 1522 CA LYS A 103 0.434 -22.841 0.013 1.00 0.00 C ATOM 1523 C LYS A 103 1.149 -24.142 -0.340 1.00 0.00 C ATOM 1524 O LYS A 103 2.037 -24.589 0.385 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.046 -23.118 0.286 1.00 0.00 C ATOM 1526 CG LYS A 103 -1.329 -23.556 1.713 1.00 0.00 C ATOM 1527 CD LYS A 103 -1.104 -25.048 1.893 1.00 0.00 C ATOM 1528 CE LYS A 103 -1.734 -25.555 3.182 1.00 0.00 C ATOM 1529 NZ LYS A 103 -1.234 -26.908 3.548 1.00 0.00 N ATOM 0 H LYS A 103 -0.303 -21.453 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 103 0.892 -22.428 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.621 -22.218 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.395 -23.891 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.685 -23.005 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.358 -23.308 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.526 -25.586 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.034 -25.257 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.518 -24.857 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.818 -25.587 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.687 -27.218 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.462 -27.580 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.203 -26.873 3.681 1.00 0.00 H new ATOM 1543 N GLU A 104 0.756 -24.742 -1.460 1.00 0.00 N ATOM 1544 CA GLU A 104 1.361 -25.991 -1.908 1.00 0.00 C ATOM 1545 C GLU A 104 2.122 -25.789 -3.215 1.00 0.00 C ATOM 1546 O GLU A 104 1.619 -26.103 -4.294 1.00 0.00 O ATOM 1547 CB GLU A 104 0.288 -27.066 -2.092 1.00 0.00 C ATOM 1548 CG GLU A 104 -0.188 -27.680 -0.786 1.00 0.00 C ATOM 1549 CD GLU A 104 -1.591 -28.247 -0.885 1.00 0.00 C ATOM 1550 OE1 GLU A 104 -2.444 -27.609 -1.537 1.00 0.00 O ATOM 1551 OE2 GLU A 104 -1.837 -29.328 -0.310 1.00 0.00 O ATOM 0 H GLU A 104 0.023 -24.384 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 104 2.066 -26.318 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.566 -26.630 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.682 -27.855 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.500 -28.472 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.160 -26.923 -0.002 1.00 0.00 H new ATOM 1558 N SER A 105 3.337 -25.260 -3.110 1.00 0.00 N ATOM 1559 CA SER A 105 4.167 -25.011 -4.283 1.00 0.00 C ATOM 1560 C SER A 105 4.443 -26.307 -5.038 1.00 0.00 C ATOM 1561 O SER A 105 4.757 -27.334 -4.437 1.00 0.00 O ATOM 1562 CB SER A 105 5.487 -24.356 -3.870 1.00 0.00 C ATOM 1563 OG SER A 105 6.374 -24.261 -4.971 1.00 0.00 O ATOM 0 H SER A 105 3.769 -24.996 -2.224 1.00 0.00 H new ATOM 0 HA SER A 105 3.625 -24.335 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.293 -23.362 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.952 -24.937 -3.073 1.00 0.00 H new ATOM 0 HG SER A 105 7.209 -23.838 -4.682 1.00 0.00 H new ATOM 1569 N GLY A 106 4.324 -26.251 -6.361 1.00 0.00 N ATOM 1570 CA GLY A 106 4.564 -27.426 -7.178 1.00 0.00 C ATOM 1571 C GLY A 106 3.376 -27.777 -8.052 1.00 0.00 C ATOM 1572 O GLY A 106 2.382 -27.052 -8.105 1.00 0.00 O ATOM 0 H GLY A 106 4.066 -25.413 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.437 -27.254 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.799 -28.272 -6.532 1.00 0.00 H new ATOM 1576 N PRO A 107 3.471 -28.913 -8.759 1.00 0.00 N ATOM 1577 CA PRO A 107 2.405 -29.384 -9.648 1.00 0.00 C ATOM 1578 C PRO A 107 1.173 -29.850 -8.881 1.00 0.00 C ATOM 1579 O PRO A 107 1.249 -30.766 -8.062 1.00 0.00 O ATOM 1580 CB PRO A 107 3.052 -30.559 -10.386 1.00 0.00 C ATOM 1581 CG PRO A 107 4.118 -31.043 -9.465 1.00 0.00 C ATOM 1582 CD PRO A 107 4.626 -29.826 -8.744 1.00 0.00 C ATOM 0 HA PRO A 107 2.046 -28.594 -10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.325 -31.343 -10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 107 3.468 -30.245 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.723 -31.776 -8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.920 -31.532 -10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.938 -30.063 -7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.489 -29.391 -9.249 1.00 0.00 H new ATOM 1590 N SER A 108 0.037 -29.213 -9.150 1.00 0.00 N ATOM 1591 CA SER A 108 -1.211 -29.561 -8.482 1.00 0.00 C ATOM 1592 C SER A 108 -2.412 -29.060 -9.279 1.00 0.00 C ATOM 1593 O SER A 108 -2.585 -27.856 -9.470 1.00 0.00 O ATOM 1594 CB SER A 108 -1.240 -28.972 -7.071 1.00 0.00 C ATOM 1595 OG SER A 108 -2.196 -29.634 -6.261 1.00 0.00 O ATOM 0 H SER A 108 -0.044 -28.453 -9.826 1.00 0.00 H new ATOM 0 HA SER A 108 -1.268 -30.647 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.253 -29.058 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.476 -27.909 -7.122 1.00 0.00 H new ATOM 0 HG SER A 108 -2.194 -29.240 -5.364 1.00 0.00 H new ATOM 1601 N SER A 109 -3.238 -29.992 -9.742 1.00 0.00 N ATOM 1602 CA SER A 109 -4.420 -29.647 -10.522 1.00 0.00 C ATOM 1603 C SER A 109 -5.694 -29.932 -9.732 1.00 0.00 C ATOM 1604 O SER A 109 -5.842 -30.996 -9.134 1.00 0.00 O ATOM 1605 CB SER A 109 -4.437 -30.429 -11.837 1.00 0.00 C ATOM 1606 OG SER A 109 -5.621 -30.170 -12.570 1.00 0.00 O ATOM 0 H SER A 109 -3.110 -30.993 -9.590 1.00 0.00 H new ATOM 0 HA SER A 109 -4.380 -28.580 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.568 -30.157 -12.436 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.360 -31.496 -11.630 1.00 0.00 H new ATOM 0 HG SER A 109 -5.606 -30.680 -13.406 1.00 0.00 H new ATOM 1612 N GLY A 110 -6.613 -28.970 -9.735 1.00 0.00 N ATOM 1613 CA GLY A 110 -7.862 -29.136 -9.016 1.00 0.00 C ATOM 1614 C GLY A 110 -8.166 -27.964 -8.104 1.00 0.00 C ATOM 1615 O GLY A 110 -8.592 -26.905 -8.564 1.00 0.00 O ATOM 0 H GLY A 110 -6.514 -28.080 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.676 -29.257 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.819 -30.051 -8.425 1.00 0.00 H new TER 1619 GLY A 110