USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.73 USER MOD Single : A 27 ASN : amide:sc= -2.07 K(o=-2.1,f=-6.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-1.2) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.42 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.25) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.45! C(o=-4.5!,f=-3.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= -0.0113 (180deg=-0.225) USER MOD Single : A 73 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 77 THR OG1 : rot -4:sc= -2.45! USER MOD Single : A 80 ASN : amide:sc= -2.5 K(o=-2.5,f=-1.9) USER MOD Single : A 81 THR OG1 : rot -90:sc= -0.559 USER MOD Single : A 83 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.1) USER MOD Single : A 86 HIS : no HD1:sc= -0.733 X(o=-0.73,f=-0.43) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.528 -1.991 -5.850 1.00 15.00 N ATOM 73 CA ILE A 6 -10.082 -2.034 -5.952 1.00 15.00 C ATOM 74 C ILE A 6 -9.550 -0.830 -6.722 1.00 15.00 C ATOM 75 O ILE A 6 -10.137 -0.410 -7.719 1.00 15.00 O ATOM 76 CB ILE A 6 -9.640 -3.331 -6.661 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.347 -4.428 -5.637 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.420 -3.088 -7.546 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.484 -4.672 -4.668 1.00 15.00 C ATOM 0 HA ILE A 6 -9.673 -2.010 -4.942 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.459 -3.660 -7.300 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -9.125 -5.356 -6.164 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.453 -4.159 -5.075 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.132 -4.020 -8.032 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.663 -2.343 -8.304 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.593 -2.727 -6.934 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.205 -5.463 -3.972 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.692 -3.757 -4.114 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.375 -4.972 -5.220 1.00 15.00 H new ATOM 91 N PHE A 7 -8.423 -0.296 -6.271 1.00 15.00 N ATOM 92 CA PHE A 7 -7.804 0.838 -6.941 1.00 15.00 C ATOM 93 C PHE A 7 -6.285 0.686 -6.960 1.00 15.00 C ATOM 94 O PHE A 7 -5.730 -0.157 -6.260 1.00 15.00 O ATOM 95 CB PHE A 7 -8.214 2.158 -6.274 1.00 15.00 C ATOM 96 CG PHE A 7 -7.426 2.501 -5.040 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.132 2.989 -5.140 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.983 2.343 -3.782 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.410 3.311 -4.008 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.265 2.665 -2.647 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.977 3.149 -2.761 1.00 15.00 C ATOM 0 H PHE A 7 -7.921 -0.628 -5.448 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.157 0.860 -7.972 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.104 2.966 -6.997 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.271 2.106 -6.013 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.684 3.119 -6.114 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.990 1.964 -3.687 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.402 3.689 -4.099 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.711 2.538 -1.671 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.414 3.401 -1.874 1.00 15.00 H new ATOM 111 N GLU A 8 -5.622 1.498 -7.776 1.00 15.00 N ATOM 112 CA GLU A 8 -4.169 1.442 -7.896 1.00 15.00 C ATOM 113 C GLU A 8 -3.543 2.824 -7.738 1.00 15.00 C ATOM 114 O GLU A 8 -4.091 3.828 -8.193 1.00 15.00 O ATOM 115 CB GLU A 8 -3.783 0.862 -9.252 1.00 15.00 C ATOM 116 CG GLU A 8 -4.480 1.538 -10.414 1.00 15.00 C ATOM 117 CD GLU A 8 -4.442 0.710 -11.683 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.525 -0.532 -11.585 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.331 1.304 -12.776 1.00 15.00 O ATOM 0 H GLU A 8 -6.067 2.203 -8.364 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.792 0.802 -7.098 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.705 0.950 -9.383 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.020 -0.202 -9.265 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.518 1.735 -10.145 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.011 2.504 -10.601 1.00 15.00 H new ATOM 126 N VAL A 9 -2.378 2.852 -7.108 1.00 15.00 N ATOM 127 CA VAL A 9 -1.636 4.090 -6.897 1.00 15.00 C ATOM 128 C VAL A 9 -0.509 4.183 -7.915 1.00 15.00 C ATOM 129 O VAL A 9 0.384 3.337 -7.946 1.00 15.00 O ATOM 130 CB VAL A 9 -1.069 4.198 -5.452 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.184 2.870 -4.714 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.379 4.683 -5.453 1.00 15.00 C ATOM 0 H VAL A 9 -1.921 2.023 -6.730 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.327 4.922 -7.030 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.672 4.937 -4.924 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.780 2.977 -3.707 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.232 2.576 -4.655 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.623 2.105 -5.251 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.742 4.747 -4.427 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.997 3.982 -6.014 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.433 5.667 -5.918 1.00 15.00 H new ATOM 142 N GLU A 10 -0.569 5.197 -8.764 1.00 15.00 N ATOM 143 CA GLU A 10 0.435 5.369 -9.800 1.00 15.00 C ATOM 144 C GLU A 10 1.399 6.509 -9.493 1.00 15.00 C ATOM 145 O GLU A 10 1.326 7.577 -10.102 1.00 15.00 O ATOM 146 CB GLU A 10 -0.249 5.610 -11.140 1.00 15.00 C ATOM 147 CG GLU A 10 0.718 5.758 -12.303 1.00 15.00 C ATOM 148 CD GLU A 10 0.014 6.048 -13.614 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.088 5.501 -13.830 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.564 6.823 -14.424 1.00 15.00 O ATOM 0 H GLU A 10 -1.299 5.910 -8.756 1.00 15.00 H new ATOM 0 HA GLU A 10 1.025 4.453 -9.841 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.927 4.781 -11.346 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.859 6.511 -11.070 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.420 6.563 -12.086 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.302 4.843 -12.403 1.00 15.00 H new ATOM 157 N LEU A 11 2.324 6.267 -8.572 1.00 15.00 N ATOM 158 CA LEU A 11 3.323 7.268 -8.225 1.00 15.00 C ATOM 159 C LEU A 11 4.521 7.125 -9.155 1.00 15.00 C ATOM 160 O LEU A 11 4.693 6.089 -9.795 1.00 15.00 O ATOM 161 CB LEU A 11 3.763 7.126 -6.764 1.00 15.00 C ATOM 162 CG LEU A 11 4.012 8.443 -6.020 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.754 9.298 -5.993 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.499 8.169 -4.603 1.00 15.00 C ATOM 0 H LEU A 11 2.403 5.391 -8.055 1.00 15.00 H new ATOM 0 HA LEU A 11 2.884 8.259 -8.344 1.00 15.00 H new ATOM 0 HB2 LEU A 11 3.000 6.563 -6.226 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.677 6.533 -6.734 1.00 15.00 H new ATOM 0 HG LEU A 11 4.786 8.994 -6.555 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.957 10.227 -5.460 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.447 9.525 -7.014 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.956 8.755 -5.486 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.671 9.114 -4.088 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.746 7.594 -4.064 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.429 7.602 -4.641 1.00 15.00 H new ATOM 176 N ALA A 12 5.337 8.161 -9.245 1.00 15.00 N ATOM 177 CA ALA A 12 6.505 8.119 -10.119 1.00 15.00 C ATOM 178 C ALA A 12 7.769 7.743 -9.357 1.00 15.00 C ATOM 179 O ALA A 12 8.436 8.602 -8.782 1.00 15.00 O ATOM 180 CB ALA A 12 6.694 9.444 -10.831 1.00 15.00 C ATOM 0 H ALA A 12 5.218 9.034 -8.731 1.00 15.00 H new ATOM 0 HA ALA A 12 6.323 7.344 -10.863 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.571 9.388 -11.477 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.813 9.662 -11.434 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.835 10.236 -10.095 1.00 15.00 H new ATOM 186 N LYS A 13 8.095 6.455 -9.368 1.00 15.00 N ATOM 187 CA LYS A 13 9.288 5.948 -8.694 1.00 15.00 C ATOM 188 C LYS A 13 10.562 6.496 -9.338 1.00 15.00 C ATOM 189 O LYS A 13 11.385 5.748 -9.867 1.00 15.00 O ATOM 190 CB LYS A 13 9.312 4.434 -8.759 1.00 15.00 C ATOM 191 CG LYS A 13 9.793 3.773 -7.483 1.00 15.00 C ATOM 192 CD LYS A 13 11.245 4.117 -7.197 1.00 15.00 C ATOM 193 CE LYS A 13 11.378 4.885 -5.899 1.00 15.00 C ATOM 194 NZ LYS A 13 12.801 5.101 -5.520 1.00 15.00 N ATOM 0 H LYS A 13 7.546 5.737 -9.840 1.00 15.00 H new ATOM 0 HA LYS A 13 9.252 6.277 -7.656 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.309 4.074 -8.988 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.957 4.125 -9.582 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.170 4.093 -6.648 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.683 2.692 -7.567 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.835 3.202 -7.144 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.650 4.710 -8.017 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.879 5.849 -5.996 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.870 4.341 -5.103 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.846 5.630 -4.626 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.272 4.181 -5.402 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 13.281 5.642 -6.267 1.00 15.00 H new ATOM 259 N LEU A 18 8.301 6.282 -1.601 1.00 15.00 N ATOM 260 CA LEU A 18 7.055 6.506 -0.894 1.00 15.00 C ATOM 261 C LEU A 18 7.258 7.446 0.291 1.00 15.00 C ATOM 262 O LEU A 18 8.307 8.075 0.433 1.00 15.00 O ATOM 263 CB LEU A 18 6.469 5.172 -0.412 1.00 15.00 C ATOM 264 CG LEU A 18 5.985 4.228 -1.518 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.062 4.958 -2.483 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.166 3.618 -2.259 1.00 15.00 C ATOM 0 HA LEU A 18 6.355 6.974 -1.586 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.225 4.655 0.178 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.633 5.382 0.255 1.00 15.00 H new ATOM 0 HG LEU A 18 5.420 3.420 -1.053 1.00 15.00 H new ATOM 0 HD11 LEU A 18 4.730 4.270 -3.260 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.196 5.338 -1.941 1.00 15.00 H new ATOM 0 HD13 LEU A 18 5.598 5.790 -2.940 1.00 15.00 H new ATOM 0 HD21 LEU A 18 6.800 2.951 -3.040 1.00 15.00 H new ATOM 0 HD22 LEU A 18 7.762 4.412 -2.709 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.782 3.054 -1.559 1.00 15.00 H new ATOM 278 N GLY A 19 6.242 7.525 1.136 1.00 15.00 N ATOM 279 CA GLY A 19 6.290 8.373 2.309 1.00 15.00 C ATOM 280 C GLY A 19 5.226 7.982 3.299 1.00 15.00 C ATOM 281 O GLY A 19 4.676 8.824 4.004 1.00 15.00 O ATOM 0 H GLY A 19 5.370 7.007 1.027 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.272 8.299 2.776 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.154 9.414 2.016 1.00 15.00 H new ATOM 285 N ILE A 20 4.916 6.694 3.321 1.00 15.00 N ATOM 286 CA ILE A 20 3.892 6.164 4.199 1.00 15.00 C ATOM 287 C ILE A 20 4.473 5.258 5.278 1.00 15.00 C ATOM 288 O ILE A 20 5.386 4.473 5.025 1.00 15.00 O ATOM 289 CB ILE A 20 2.841 5.376 3.383 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.473 6.034 3.526 1.00 15.00 C ATOM 291 CG2 ILE A 20 2.785 3.922 3.823 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.305 5.092 3.349 1.00 15.00 C ATOM 0 H ILE A 20 5.366 5.993 2.733 1.00 15.00 H new ATOM 0 HA ILE A 20 3.421 7.016 4.690 1.00 15.00 H new ATOM 0 HB ILE A 20 3.134 5.394 2.333 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.406 6.495 4.512 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.391 6.836 2.793 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.038 3.392 3.233 1.00 15.00 H new ATOM 0 HG22 ILE A 20 3.760 3.459 3.674 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.517 3.871 4.878 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.628 5.643 3.467 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.342 4.650 2.353 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.357 4.303 4.099 1.00 15.00 H new ATOM 304 N SER A 21 3.885 5.330 6.463 1.00 15.00 N ATOM 305 CA SER A 21 4.283 4.474 7.566 1.00 15.00 C ATOM 306 C SER A 21 3.330 3.285 7.574 1.00 15.00 C ATOM 307 O SER A 21 2.170 3.414 7.965 1.00 15.00 O ATOM 308 CB SER A 21 4.230 5.237 8.893 1.00 15.00 C ATOM 309 OG SER A 21 4.418 4.364 9.993 1.00 15.00 O ATOM 0 H SER A 21 3.127 5.976 6.684 1.00 15.00 H new ATOM 0 HA SER A 21 5.312 4.135 7.443 1.00 15.00 H new ATOM 0 HB2 SER A 21 4.999 6.009 8.903 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.269 5.743 8.987 1.00 15.00 H new ATOM 0 HG SER A 21 4.381 4.877 10.827 1.00 15.00 H new ATOM 315 N VAL A 22 3.798 2.146 7.073 1.00 15.00 N ATOM 316 CA VAL A 22 2.946 0.967 6.956 1.00 15.00 C ATOM 317 C VAL A 22 3.039 0.031 8.154 1.00 15.00 C ATOM 318 O VAL A 22 4.038 0.001 8.871 1.00 15.00 O ATOM 319 CB VAL A 22 3.288 0.173 5.682 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.092 1.033 4.444 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.714 -0.349 5.744 1.00 15.00 C ATOM 0 H VAL A 22 4.754 2.014 6.744 1.00 15.00 H new ATOM 0 HA VAL A 22 1.925 1.346 6.910 1.00 15.00 H new ATOM 0 HB VAL A 22 2.610 -0.679 5.620 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.339 0.453 3.555 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.053 1.358 4.388 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.743 1.905 4.500 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.937 -0.907 4.835 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.405 0.489 5.833 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.824 -1.004 6.608 1.00 15.00 H new ATOM 331 N THR A 23 1.967 -0.737 8.348 1.00 15.00 N ATOM 332 CA THR A 23 1.879 -1.694 9.441 1.00 15.00 C ATOM 333 C THR A 23 1.011 -2.891 9.041 1.00 15.00 C ATOM 334 O THR A 23 0.559 -2.990 7.896 1.00 15.00 O ATOM 335 CB THR A 23 1.296 -1.015 10.684 1.00 15.00 C ATOM 336 OG1 THR A 23 1.277 0.392 10.525 1.00 15.00 O ATOM 337 CG2 THR A 23 2.065 -1.320 11.949 1.00 15.00 C ATOM 0 H THR A 23 1.140 -0.711 7.752 1.00 15.00 H new ATOM 0 HA THR A 23 2.882 -2.055 9.668 1.00 15.00 H new ATOM 0 HB THR A 23 0.287 -1.416 10.784 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.372 0.821 11.401 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.599 -0.808 12.791 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.058 -2.395 12.129 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.094 -0.977 11.841 1.00 15.00 H new ATOM 345 N GLY A 24 0.777 -3.793 9.992 1.00 15.00 N ATOM 346 CA GLY A 24 -0.040 -4.966 9.722 1.00 15.00 C ATOM 347 C GLY A 24 0.632 -5.938 8.773 1.00 15.00 C ATOM 348 O GLY A 24 1.716 -6.443 9.059 1.00 15.00 O ATOM 0 H GLY A 24 1.138 -3.733 10.944 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.261 -5.474 10.661 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.993 -4.651 9.298 1.00 15.00 H new ATOM 352 N GLY A 25 -0.011 -6.197 7.639 1.00 15.00 N ATOM 353 CA GLY A 25 0.552 -7.105 6.656 1.00 15.00 C ATOM 354 C GLY A 25 0.573 -8.551 7.113 1.00 15.00 C ATOM 355 O GLY A 25 -0.114 -9.396 6.539 1.00 15.00 O ATOM 0 H GLY A 25 -0.912 -5.794 7.383 1.00 15.00 H new ATOM 0 HA2 GLY A 25 -0.024 -7.032 5.733 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.569 -6.791 6.423 1.00 15.00 H new ATOM 359 N VAL A 26 1.378 -8.835 8.139 1.00 15.00 N ATOM 360 CA VAL A 26 1.519 -10.192 8.685 1.00 15.00 C ATOM 361 C VAL A 26 0.266 -11.038 8.476 1.00 15.00 C ATOM 362 O VAL A 26 -0.856 -10.550 8.608 1.00 15.00 O ATOM 363 CB VAL A 26 1.843 -10.159 10.190 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.334 -9.963 10.415 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.044 -9.066 10.879 1.00 15.00 C ATOM 0 H VAL A 26 1.949 -8.137 8.615 1.00 15.00 H new ATOM 0 HA VAL A 26 2.344 -10.648 8.138 1.00 15.00 H new ATOM 0 HB VAL A 26 1.560 -11.117 10.626 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.541 -9.943 11.485 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.883 -10.785 9.955 1.00 15.00 H new ATOM 0 HG13 VAL A 26 3.649 -9.021 9.967 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.284 -9.055 11.942 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.295 -8.100 10.440 1.00 15.00 H new ATOM 0 HG23 VAL A 26 -0.021 -9.257 10.749 1.00 15.00 H new ATOM 375 N ASN A 27 0.470 -12.309 8.147 1.00 15.00 N ATOM 376 CA ASN A 27 -0.638 -13.230 7.915 1.00 15.00 C ATOM 377 C ASN A 27 -1.262 -13.680 9.234 1.00 15.00 C ATOM 378 O ASN A 27 -1.283 -14.871 9.547 1.00 15.00 O ATOM 379 CB ASN A 27 -0.153 -14.448 7.125 1.00 15.00 C ATOM 380 CG ASN A 27 0.546 -14.060 5.837 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.278 -13.072 5.787 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.323 -14.840 4.785 1.00 15.00 N ATOM 0 H ASN A 27 1.394 -12.726 8.035 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.399 -12.706 7.337 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.529 -15.031 7.744 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -1.003 -15.090 6.895 1.00 15.00 H new ATOM 0 HD21 ASN A 27 0.766 -14.629 3.891 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.292 -15.650 4.871 1.00 15.00 H new ATOM 389 N THR A 28 -1.769 -12.723 10.004 1.00 15.00 N ATOM 390 CA THR A 28 -2.392 -13.026 11.288 1.00 15.00 C ATOM 391 C THR A 28 -3.455 -11.990 11.638 1.00 15.00 C ATOM 392 O THR A 28 -4.585 -12.337 11.981 1.00 15.00 O ATOM 393 CB THR A 28 -1.334 -13.082 12.391 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.072 -13.442 11.858 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.667 -14.068 13.490 1.00 15.00 C ATOM 0 H THR A 28 -1.761 -11.732 9.762 1.00 15.00 H new ATOM 0 HA THR A 28 -2.875 -14.000 11.207 1.00 15.00 H new ATOM 0 HB THR A 28 -1.310 -12.080 12.819 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.591 -13.471 12.579 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.876 -14.058 14.240 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.612 -13.788 13.956 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.753 -15.069 13.067 1.00 15.00 H new ATOM 403 N SER A 29 -3.084 -10.716 11.552 1.00 15.00 N ATOM 404 CA SER A 29 -4.005 -9.629 11.863 1.00 15.00 C ATOM 405 C SER A 29 -4.874 -9.285 10.658 1.00 15.00 C ATOM 406 O SER A 29 -6.056 -8.972 10.802 1.00 15.00 O ATOM 407 CB SER A 29 -3.230 -8.390 12.316 1.00 15.00 C ATOM 408 OG SER A 29 -4.021 -7.573 13.162 1.00 15.00 O ATOM 0 H SER A 29 -2.152 -10.412 11.270 1.00 15.00 H new ATOM 0 HA SER A 29 -4.655 -9.961 12.672 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.326 -8.695 12.842 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.913 -7.817 11.445 1.00 15.00 H new ATOM 0 HG SER A 29 -3.502 -6.789 13.439 1.00 15.00 H new ATOM 414 N VAL A 30 -4.282 -9.341 9.470 1.00 15.00 N ATOM 415 CA VAL A 30 -5.004 -9.033 8.242 1.00 15.00 C ATOM 416 C VAL A 30 -5.837 -10.224 7.777 1.00 15.00 C ATOM 417 O VAL A 30 -5.920 -11.241 8.465 1.00 15.00 O ATOM 418 CB VAL A 30 -4.040 -8.614 7.114 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.199 -7.423 7.546 1.00 15.00 C ATOM 420 CG2 VAL A 30 -3.151 -9.780 6.704 1.00 15.00 C ATOM 0 H VAL A 30 -3.304 -9.597 9.332 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.669 -8.199 8.466 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.633 -8.319 6.249 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.525 -7.141 6.737 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.852 -6.583 7.783 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.617 -7.690 8.428 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.479 -9.462 5.907 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.566 -10.111 7.562 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.771 -10.603 6.349 1.00 15.00 H new ATOM 430 N ARG A 31 -6.452 -10.089 6.607 1.00 15.00 N ATOM 431 CA ARG A 31 -7.278 -11.154 6.051 1.00 15.00 C ATOM 432 C ARG A 31 -6.469 -12.434 5.866 1.00 15.00 C ATOM 433 O ARG A 31 -6.851 -13.497 6.356 1.00 15.00 O ATOM 434 CB ARG A 31 -7.877 -10.716 4.713 1.00 15.00 C ATOM 435 CG ARG A 31 -9.276 -10.134 4.834 1.00 15.00 C ATOM 436 CD ARG A 31 -10.093 -10.379 3.576 1.00 15.00 C ATOM 437 NE ARG A 31 -11.524 -10.455 3.859 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.124 -11.534 4.355 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.422 -12.628 4.624 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.431 -11.520 4.583 1.00 15.00 N ATOM 0 H ARG A 31 -6.394 -9.253 6.026 1.00 15.00 H new ATOM 0 HA ARG A 31 -8.085 -11.357 6.754 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.222 -9.974 4.257 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.906 -11.573 4.040 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.783 -10.578 5.690 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.210 -9.063 5.023 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.907 -9.578 2.861 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.766 -11.307 3.107 1.00 15.00 H new ATOM 0 HE ARG A 31 -12.096 -9.633 3.665 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -10.417 -12.645 4.451 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.888 -13.452 5.004 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.976 -10.682 4.378 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.891 -12.347 4.963 1.00 15.00 H new ATOM 454 N HIS A 32 -5.352 -12.326 5.154 1.00 15.00 N ATOM 455 CA HIS A 32 -4.493 -13.478 4.904 1.00 15.00 C ATOM 456 C HIS A 32 -3.025 -13.065 4.848 1.00 15.00 C ATOM 457 O HIS A 32 -2.178 -13.664 5.508 1.00 15.00 O ATOM 458 CB HIS A 32 -4.892 -14.161 3.595 1.00 15.00 C ATOM 459 CG HIS A 32 -6.369 -14.358 3.450 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.048 -15.413 4.024 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.300 -13.627 2.793 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.332 -15.322 3.724 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.511 -14.247 2.979 1.00 15.00 N ATOM 0 H HIS A 32 -5.021 -11.454 4.741 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.621 -14.180 5.728 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.529 -13.565 2.758 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.397 -15.130 3.534 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -7.123 -12.724 2.228 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.104 -16.010 4.035 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.404 -13.929 2.603 1.00 15.00 H new ATOM 472 N GLY A 33 -2.731 -12.044 4.050 1.00 15.00 N ATOM 473 CA GLY A 33 -1.363 -11.572 3.918 1.00 15.00 C ATOM 474 C GLY A 33 -1.273 -10.253 3.175 1.00 15.00 C ATOM 475 O GLY A 33 -0.245 -9.940 2.575 1.00 15.00 O ATOM 0 H GLY A 33 -3.415 -11.534 3.492 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.924 -11.458 4.909 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.772 -12.322 3.393 1.00 15.00 H new ATOM 479 N GLY A 34 -2.344 -9.469 3.228 1.00 15.00 N ATOM 480 CA GLY A 34 -2.350 -8.180 2.567 1.00 15.00 C ATOM 481 C GLY A 34 -1.866 -7.088 3.494 1.00 15.00 C ATOM 482 O GLY A 34 -2.054 -7.179 4.707 1.00 15.00 O ATOM 0 H GLY A 34 -3.208 -9.704 3.717 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.714 -8.219 1.683 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.358 -7.949 2.224 1.00 15.00 H new ATOM 486 N ILE A 35 -1.234 -6.058 2.945 1.00 15.00 N ATOM 487 CA ILE A 35 -0.728 -4.975 3.778 1.00 15.00 C ATOM 488 C ILE A 35 -1.784 -3.905 4.006 1.00 15.00 C ATOM 489 O ILE A 35 -2.695 -3.726 3.200 1.00 15.00 O ATOM 490 CB ILE A 35 0.550 -4.334 3.184 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.666 -4.306 4.242 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.272 -2.935 2.639 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.247 -2.931 4.508 1.00 15.00 C ATOM 0 H ILE A 35 -1.062 -5.950 1.945 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.470 -5.421 4.738 1.00 15.00 H new ATOM 0 HB ILE A 35 0.881 -4.945 2.345 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.273 -4.707 5.176 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.469 -4.970 3.922 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.191 -2.515 2.230 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.482 -2.994 1.854 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.092 -2.297 3.444 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.026 -3.006 5.267 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.674 -2.532 3.588 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.459 -2.265 4.861 1.00 15.00 H new ATOM 505 N TYR A 36 -1.635 -3.192 5.109 1.00 15.00 N ATOM 506 CA TYR A 36 -2.553 -2.120 5.464 1.00 15.00 C ATOM 507 C TYR A 36 -1.781 -0.957 6.058 1.00 15.00 C ATOM 508 O TYR A 36 -1.292 -1.034 7.185 1.00 15.00 O ATOM 509 CB TYR A 36 -3.605 -2.618 6.455 1.00 15.00 C ATOM 510 CG TYR A 36 -4.543 -3.646 5.869 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.098 -4.927 5.576 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.869 -3.333 5.603 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.948 -5.870 5.034 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.727 -4.271 5.062 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.262 -5.538 4.779 1.00 15.00 C ATOM 516 OH TYR A 36 -7.113 -6.475 4.239 1.00 15.00 O ATOM 0 H TYR A 36 -0.881 -3.337 5.780 1.00 15.00 H new ATOM 0 HA TYR A 36 -3.065 -1.785 4.562 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.102 -3.048 7.321 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.187 -1.769 6.813 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.070 -5.191 5.775 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.236 -2.341 5.822 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.586 -6.863 4.811 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.757 -4.013 4.862 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.003 -6.081 4.123 1.00 15.00 H new ATOM 526 N VAL A 37 -1.656 0.113 5.288 1.00 15.00 N ATOM 527 CA VAL A 37 -0.915 1.283 5.744 1.00 15.00 C ATOM 528 C VAL A 37 -1.455 1.806 7.069 1.00 15.00 C ATOM 529 O VAL A 37 -2.649 1.728 7.344 1.00 15.00 O ATOM 530 CB VAL A 37 -0.906 2.433 4.695 1.00 15.00 C ATOM 531 CG1 VAL A 37 -1.023 1.903 3.282 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.997 3.458 4.947 1.00 15.00 C ATOM 0 H VAL A 37 -2.053 0.197 4.352 1.00 15.00 H new ATOM 0 HA VAL A 37 0.113 0.948 5.884 1.00 15.00 H new ATOM 0 HB VAL A 37 0.057 2.930 4.807 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -1.013 2.736 2.579 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.184 1.240 3.071 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.957 1.351 3.177 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.946 4.238 4.187 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.971 2.971 4.902 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.858 3.902 5.933 1.00 15.00 H new ATOM 542 N LYS A 38 -0.567 2.368 7.873 1.00 15.00 N ATOM 543 CA LYS A 38 -0.955 2.941 9.147 1.00 15.00 C ATOM 544 C LYS A 38 -1.535 4.327 8.892 1.00 15.00 C ATOM 545 O LYS A 38 -2.609 4.669 9.385 1.00 15.00 O ATOM 546 CB LYS A 38 0.251 2.985 10.104 1.00 15.00 C ATOM 547 CG LYS A 38 0.781 4.377 10.430 1.00 15.00 C ATOM 548 CD LYS A 38 1.249 4.458 11.873 1.00 15.00 C ATOM 549 CE LYS A 38 0.323 5.325 12.710 1.00 15.00 C ATOM 550 NZ LYS A 38 0.654 5.254 14.160 1.00 15.00 N ATOM 0 H LYS A 38 0.429 2.439 7.663 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.715 2.325 9.629 1.00 15.00 H new ATOM 0 HB2 LYS A 38 -0.029 2.495 11.036 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.061 2.400 9.667 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.607 4.621 9.762 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.000 5.117 10.255 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.295 3.456 12.299 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.260 4.865 11.907 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.391 6.359 12.373 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.708 5.007 12.557 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.001 5.859 14.696 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.565 4.271 14.489 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.630 5.582 14.310 1.00 15.00 H new ATOM 564 N ALA A 39 -0.813 5.106 8.089 1.00 15.00 N ATOM 565 CA ALA A 39 -1.240 6.447 7.720 1.00 15.00 C ATOM 566 C ALA A 39 -0.322 7.017 6.646 1.00 15.00 C ATOM 567 O ALA A 39 0.697 6.414 6.320 1.00 15.00 O ATOM 568 CB ALA A 39 -1.284 7.349 8.937 1.00 15.00 C ATOM 0 H ALA A 39 0.078 4.825 7.680 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.249 6.392 7.311 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.606 8.347 8.639 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.987 6.944 9.665 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.291 7.406 9.384 1.00 15.00 H new ATOM 574 N VAL A 40 -0.679 8.178 6.105 1.00 15.00 N ATOM 575 CA VAL A 40 0.133 8.813 5.066 1.00 15.00 C ATOM 576 C VAL A 40 1.048 9.877 5.665 1.00 15.00 C ATOM 577 O VAL A 40 0.591 10.936 6.093 1.00 15.00 O ATOM 578 CB VAL A 40 -0.728 9.450 3.951 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.720 8.578 2.707 1.00 15.00 C ATOM 580 CG2 VAL A 40 -2.151 9.688 4.426 1.00 15.00 C ATOM 0 H VAL A 40 -1.518 8.697 6.365 1.00 15.00 H new ATOM 0 HA VAL A 40 0.733 8.021 4.619 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.291 10.417 3.700 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.331 9.042 1.933 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.303 8.469 2.345 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -1.126 7.596 2.949 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.733 10.137 3.621 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.602 8.738 4.714 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -2.141 10.360 5.284 1.00 15.00 H new ATOM 590 N ILE A 41 2.341 9.568 5.713 1.00 15.00 N ATOM 591 CA ILE A 41 3.333 10.474 6.285 1.00 15.00 C ATOM 592 C ILE A 41 3.721 11.602 5.327 1.00 15.00 C ATOM 593 O ILE A 41 4.422 11.377 4.338 1.00 15.00 O ATOM 594 CB ILE A 41 4.588 9.689 6.748 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.278 8.848 7.996 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.755 10.624 7.028 1.00 15.00 C ATOM 597 CD1 ILE A 41 2.875 8.277 8.031 1.00 15.00 C ATOM 0 H ILE A 41 2.728 8.692 5.361 1.00 15.00 H new ATOM 0 HA ILE A 41 2.870 10.944 7.153 1.00 15.00 H new ATOM 0 HB ILE A 41 4.872 9.021 5.935 1.00 15.00 H new ATOM 0 HG12 ILE A 41 4.993 8.027 8.053 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.429 9.465 8.882 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.618 10.042 7.350 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.006 11.174 6.121 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.478 11.327 7.814 1.00 15.00 H new ATOM 0 HD11 ILE A 41 2.741 7.698 8.944 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.150 9.091 8.007 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.723 7.631 7.166 1.00 15.00 H new ATOM 609 N PRO A 42 3.268 12.843 5.629 1.00 15.00 N ATOM 610 CA PRO A 42 3.559 14.026 4.808 1.00 15.00 C ATOM 611 C PRO A 42 5.043 14.345 4.752 1.00 15.00 C ATOM 612 O PRO A 42 5.503 15.346 5.302 1.00 15.00 O ATOM 613 CB PRO A 42 2.794 15.157 5.504 1.00 15.00 C ATOM 614 CG PRO A 42 2.584 14.678 6.897 1.00 15.00 C ATOM 615 CD PRO A 42 2.439 13.188 6.801 1.00 15.00 C ATOM 0 HA PRO A 42 3.262 13.874 3.770 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.363 16.087 5.488 1.00 15.00 H new ATOM 0 HB3 PRO A 42 1.844 15.355 5.007 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.426 14.948 7.534 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.694 15.130 7.336 1.00 15.00 H new ATOM 0 HD2 PRO A 42 2.792 12.690 7.704 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.399 12.893 6.660 1.00 15.00 H new ATOM 623 N GLN A 43 5.781 13.486 4.073 1.00 15.00 N ATOM 624 CA GLN A 43 7.216 13.657 3.918 1.00 15.00 C ATOM 625 C GLN A 43 7.670 13.015 2.619 1.00 15.00 C ATOM 626 O GLN A 43 8.318 13.652 1.788 1.00 15.00 O ATOM 627 CB GLN A 43 7.961 13.038 5.102 1.00 15.00 C ATOM 628 CG GLN A 43 8.091 13.971 6.295 1.00 15.00 C ATOM 629 CD GLN A 43 9.535 14.267 6.650 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.063 13.750 7.635 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.183 15.105 5.848 1.00 15.00 N ATOM 0 H GLN A 43 5.407 12.655 3.616 1.00 15.00 H new ATOM 0 HA GLN A 43 7.443 14.723 3.890 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.441 12.133 5.415 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.957 12.737 4.777 1.00 15.00 H new ATOM 0 HG2 GLN A 43 7.575 14.906 6.078 1.00 15.00 H new ATOM 0 HG3 GLN A 43 7.593 13.525 7.156 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.707 15.511 5.042 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.157 15.343 6.038 1.00 15.00 H new ATOM 640 N GLY A 44 7.311 11.750 2.447 1.00 15.00 N ATOM 641 CA GLY A 44 7.673 11.039 1.240 1.00 15.00 C ATOM 642 C GLY A 44 6.649 11.217 0.135 1.00 15.00 C ATOM 643 O GLY A 44 5.472 11.500 0.399 1.00 15.00 O ATOM 0 H GLY A 44 6.776 11.205 3.123 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.644 11.391 0.892 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.780 9.978 1.465 1.00 15.00 H new ATOM 647 N ALA A 45 7.110 11.041 -1.102 1.00 15.00 N ATOM 648 CA ALA A 45 6.277 11.176 -2.300 1.00 15.00 C ATOM 649 C ALA A 45 4.865 10.612 -2.132 1.00 15.00 C ATOM 650 O ALA A 45 3.969 10.943 -2.909 1.00 15.00 O ATOM 651 CB ALA A 45 6.962 10.502 -3.479 1.00 15.00 C ATOM 0 H ALA A 45 8.080 10.799 -1.305 1.00 15.00 H new ATOM 0 HA ALA A 45 6.164 12.245 -2.480 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.340 10.604 -4.368 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.929 10.973 -3.656 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.109 9.445 -3.259 1.00 15.00 H new ATOM 657 N ALA A 46 4.661 9.755 -1.138 1.00 15.00 N ATOM 658 CA ALA A 46 3.352 9.161 -0.918 1.00 15.00 C ATOM 659 C ALA A 46 2.355 10.176 -0.368 1.00 15.00 C ATOM 660 O ALA A 46 1.446 10.599 -1.082 1.00 15.00 O ATOM 661 CB ALA A 46 3.465 7.968 0.015 1.00 15.00 C ATOM 0 H ALA A 46 5.380 9.459 -0.478 1.00 15.00 H new ATOM 0 HA ALA A 46 2.976 8.823 -1.884 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.478 7.533 0.171 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.125 7.221 -0.427 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.874 8.292 0.972 1.00 15.00 H new ATOM 667 N GLU A 47 2.515 10.571 0.897 1.00 15.00 N ATOM 668 CA GLU A 47 1.598 11.546 1.491 1.00 15.00 C ATOM 669 C GLU A 47 1.604 12.840 0.685 1.00 15.00 C ATOM 670 O GLU A 47 0.560 13.450 0.455 1.00 15.00 O ATOM 671 CB GLU A 47 1.907 11.811 2.977 1.00 15.00 C ATOM 672 CG GLU A 47 1.053 12.919 3.585 1.00 15.00 C ATOM 673 CD GLU A 47 -0.435 12.714 3.369 1.00 15.00 C ATOM 674 OE1 GLU A 47 -0.854 12.569 2.203 1.00 15.00 O ATOM 675 OE2 GLU A 47 -1.182 12.699 4.370 1.00 15.00 O ATOM 0 H GLU A 47 3.253 10.240 1.518 1.00 15.00 H new ATOM 0 HA GLU A 47 0.596 11.118 1.455 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.753 10.892 3.542 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.959 12.076 3.080 1.00 15.00 H new ATOM 0 HG2 GLU A 47 1.254 12.978 4.655 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.348 13.875 3.152 1.00 15.00 H new ATOM 682 N SER A 48 2.791 13.247 0.246 1.00 15.00 N ATOM 683 CA SER A 48 2.938 14.463 -0.548 1.00 15.00 C ATOM 684 C SER A 48 2.020 14.419 -1.766 1.00 15.00 C ATOM 685 O SER A 48 1.152 15.276 -1.932 1.00 15.00 O ATOM 686 CB SER A 48 4.391 14.634 -0.994 1.00 15.00 C ATOM 687 OG SER A 48 5.201 15.100 0.071 1.00 15.00 O ATOM 0 H SER A 48 3.665 12.753 0.426 1.00 15.00 H new ATOM 0 HA SER A 48 2.657 15.314 0.072 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.777 13.682 -1.359 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.439 15.337 -1.826 1.00 15.00 H new ATOM 0 HG SER A 48 6.125 15.199 -0.240 1.00 15.00 H new ATOM 693 N ASP A 49 2.209 13.406 -2.606 1.00 15.00 N ATOM 694 CA ASP A 49 1.388 13.242 -3.799 1.00 15.00 C ATOM 695 C ASP A 49 -0.039 12.879 -3.407 1.00 15.00 C ATOM 696 O ASP A 49 -1.003 13.344 -4.017 1.00 15.00 O ATOM 697 CB ASP A 49 1.974 12.158 -4.704 1.00 15.00 C ATOM 698 CG ASP A 49 1.584 12.345 -6.157 1.00 15.00 C ATOM 699 OD1 ASP A 49 2.119 13.273 -6.800 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.745 11.564 -6.653 1.00 15.00 O ATOM 0 H ASP A 49 2.923 12.688 -2.482 1.00 15.00 H new ATOM 0 HA ASP A 49 1.377 14.185 -4.346 1.00 15.00 H new ATOM 0 HB2 ASP A 49 3.061 12.165 -4.618 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.634 11.180 -4.362 1.00 15.00 H new ATOM 705 N GLY A 50 -0.160 12.051 -2.375 1.00 15.00 N ATOM 706 CA GLY A 50 -1.464 11.637 -1.896 1.00 15.00 C ATOM 707 C GLY A 50 -2.058 10.499 -2.704 1.00 15.00 C ATOM 708 O GLY A 50 -3.250 10.510 -3.013 1.00 15.00 O ATOM 0 H GLY A 50 0.627 11.658 -1.860 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.381 11.331 -0.853 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.143 12.489 -1.925 1.00 15.00 H new ATOM 712 N ARG A 51 -1.236 9.508 -3.040 1.00 15.00 N ATOM 713 CA ARG A 51 -1.713 8.360 -3.808 1.00 15.00 C ATOM 714 C ARG A 51 -2.205 7.259 -2.874 1.00 15.00 C ATOM 715 O ARG A 51 -3.315 6.749 -3.028 1.00 15.00 O ATOM 716 CB ARG A 51 -0.613 7.818 -4.728 1.00 15.00 C ATOM 717 CG ARG A 51 -0.540 8.529 -6.069 1.00 15.00 C ATOM 718 CD ARG A 51 -1.567 7.982 -7.047 1.00 15.00 C ATOM 719 NE ARG A 51 -2.865 8.638 -6.902 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.946 8.302 -7.602 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.889 7.321 -8.494 1.00 15.00 N ATOM 722 NH2 ARG A 51 -5.087 8.950 -7.409 1.00 15.00 N ATOM 0 H ARG A 51 -0.246 9.476 -2.796 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.545 8.694 -4.428 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.349 7.910 -4.224 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.784 6.755 -4.898 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.706 9.597 -5.925 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.460 8.415 -6.488 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.205 8.117 -8.066 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -1.683 6.910 -6.889 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.947 9.397 -6.225 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.014 6.820 -8.646 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.721 7.068 -9.028 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.135 9.705 -6.725 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.916 8.693 -7.945 1.00 15.00 H new ATOM 736 N ILE A 52 -1.373 6.904 -1.902 1.00 15.00 N ATOM 737 CA ILE A 52 -1.712 5.874 -0.935 1.00 15.00 C ATOM 738 C ILE A 52 -2.601 6.442 0.174 1.00 15.00 C ATOM 739 O ILE A 52 -2.631 7.654 0.390 1.00 15.00 O ATOM 740 CB ILE A 52 -0.432 5.272 -0.325 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.767 4.043 0.509 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.302 6.310 0.509 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.430 2.950 -0.290 1.00 15.00 C ATOM 0 H ILE A 52 -0.452 7.320 -1.765 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.263 5.089 -1.453 1.00 15.00 H new ATOM 0 HB ILE A 52 0.227 4.963 -1.137 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.148 3.654 0.956 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.423 4.335 1.329 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.203 5.866 0.932 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.575 7.156 -0.121 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.346 6.653 1.316 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.643 2.102 0.361 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.361 3.324 -0.716 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.766 2.633 -1.094 1.00 15.00 H new ATOM 755 N HIS A 53 -3.332 5.571 0.868 1.00 15.00 N ATOM 756 CA HIS A 53 -4.223 6.013 1.939 1.00 15.00 C ATOM 757 C HIS A 53 -4.212 5.065 3.123 1.00 15.00 C ATOM 758 O HIS A 53 -3.836 3.901 3.013 1.00 15.00 O ATOM 759 CB HIS A 53 -5.650 6.180 1.414 1.00 15.00 C ATOM 760 CG HIS A 53 -5.765 7.179 0.306 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.661 6.841 -1.027 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.978 8.517 0.337 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.803 7.926 -1.768 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.997 8.956 -0.964 1.00 15.00 N ATOM 0 H HIS A 53 -3.325 4.563 0.710 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.851 6.977 2.287 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -6.014 5.215 1.062 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.298 6.485 2.236 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.108 9.125 1.220 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.767 7.964 -2.847 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.138 9.921 -1.261 1.00 15.00 H new ATOM 773 N LYS A 54 -4.614 5.608 4.263 1.00 15.00 N ATOM 774 CA LYS A 54 -4.651 4.878 5.518 1.00 15.00 C ATOM 775 C LYS A 54 -5.196 3.455 5.361 1.00 15.00 C ATOM 776 O LYS A 54 -6.221 3.237 4.716 1.00 15.00 O ATOM 777 CB LYS A 54 -5.498 5.642 6.540 1.00 15.00 C ATOM 778 CG LYS A 54 -4.683 6.312 7.632 1.00 15.00 C ATOM 779 CD LYS A 54 -5.550 6.688 8.823 1.00 15.00 C ATOM 780 CE LYS A 54 -5.496 5.624 9.907 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.517 5.856 10.965 1.00 15.00 N ATOM 0 H LYS A 54 -4.926 6.576 4.342 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.622 4.793 5.867 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.083 6.400 6.019 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.206 4.952 6.999 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.887 5.642 7.957 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.203 7.206 7.233 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.216 7.642 9.231 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.581 6.824 8.496 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.653 4.642 9.460 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.503 5.614 10.357 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.447 5.109 11.685 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.352 6.782 11.410 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.466 5.840 10.541 1.00 15.00 H new ATOM 795 N GLY A 55 -4.502 2.496 5.976 1.00 15.00 N ATOM 796 CA GLY A 55 -4.920 1.103 5.923 1.00 15.00 C ATOM 797 C GLY A 55 -5.218 0.612 4.522 1.00 15.00 C ATOM 798 O GLY A 55 -6.096 -0.231 4.334 1.00 15.00 O ATOM 0 H GLY A 55 -3.651 2.662 6.514 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -4.138 0.481 6.358 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.809 0.976 6.540 1.00 15.00 H new ATOM 802 N ASP A 56 -4.493 1.122 3.534 1.00 15.00 N ATOM 803 CA ASP A 56 -4.710 0.695 2.158 1.00 15.00 C ATOM 804 C ASP A 56 -4.330 -0.770 1.983 1.00 15.00 C ATOM 805 O ASP A 56 -3.264 -1.200 2.429 1.00 15.00 O ATOM 806 CB ASP A 56 -3.922 1.565 1.178 1.00 15.00 C ATOM 807 CG ASP A 56 -4.827 2.305 0.217 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.571 1.637 -0.531 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.795 3.553 0.213 1.00 15.00 O ATOM 0 H ASP A 56 -3.761 1.821 3.656 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.771 0.811 1.939 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.321 2.284 1.735 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.230 0.939 0.614 1.00 15.00 H new ATOM 814 N ARG A 57 -5.204 -1.529 1.328 1.00 15.00 N ATOM 815 CA ARG A 57 -4.958 -2.945 1.085 1.00 15.00 C ATOM 816 C ARG A 57 -4.149 -3.131 -0.193 1.00 15.00 C ATOM 817 O ARG A 57 -4.711 -3.289 -1.277 1.00 15.00 O ATOM 818 CB ARG A 57 -6.282 -3.706 0.981 1.00 15.00 C ATOM 819 CG ARG A 57 -6.155 -5.191 1.280 1.00 15.00 C ATOM 820 CD ARG A 57 -7.449 -5.931 0.986 1.00 15.00 C ATOM 821 NE ARG A 57 -7.205 -7.257 0.424 1.00 15.00 N ATOM 822 CZ ARG A 57 -6.680 -8.268 1.112 1.00 15.00 C ATOM 823 NH1 ARG A 57 -6.343 -8.108 2.385 1.00 15.00 N ATOM 824 NH2 ARG A 57 -6.490 -9.442 0.525 1.00 15.00 N ATOM 0 H ARG A 57 -6.090 -1.186 0.956 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.388 -3.344 1.924 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -7.000 -3.265 1.672 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.686 -3.579 -0.023 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.348 -5.616 0.683 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.885 -5.331 2.327 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.028 -6.027 1.904 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.051 -5.347 0.289 1.00 15.00 H new ATOM 0 HE ARG A 57 -7.451 -7.417 -0.553 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -6.486 -7.207 2.841 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -5.941 -8.886 2.908 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -6.746 -9.570 -0.454 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -6.088 -10.217 1.052 1.00 15.00 H new ATOM 838 N VAL A 58 -2.827 -3.103 -0.062 1.00 15.00 N ATOM 839 CA VAL A 58 -1.949 -3.260 -1.214 1.00 15.00 C ATOM 840 C VAL A 58 -1.818 -4.730 -1.606 1.00 15.00 C ATOM 841 O VAL A 58 -1.299 -5.549 -0.842 1.00 15.00 O ATOM 842 CB VAL A 58 -0.551 -2.643 -0.957 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.675 -1.341 -0.176 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.365 -3.617 -0.229 1.00 15.00 C ATOM 0 H VAL A 58 -2.343 -2.974 0.826 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.405 -2.719 -2.043 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.102 -2.428 -1.927 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.317 -0.923 -0.005 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.275 -0.631 -0.745 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.156 -1.536 0.782 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.336 -3.150 -0.066 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.076 -3.882 0.732 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.491 -4.517 -0.831 1.00 15.00 H new ATOM 854 N LEU A 59 -2.316 -5.058 -2.796 1.00 15.00 N ATOM 855 CA LEU A 59 -2.274 -6.430 -3.291 1.00 15.00 C ATOM 856 C LEU A 59 -1.246 -6.617 -4.408 1.00 15.00 C ATOM 857 O LEU A 59 -0.886 -7.746 -4.736 1.00 15.00 O ATOM 858 CB LEU A 59 -3.655 -6.858 -3.787 1.00 15.00 C ATOM 859 CG LEU A 59 -4.770 -6.802 -2.741 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.024 -7.484 -3.265 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.315 -7.447 -1.439 1.00 15.00 C ATOM 0 H LEU A 59 -2.753 -4.393 -3.434 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.970 -7.059 -2.454 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.935 -6.222 -4.627 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.587 -7.877 -4.168 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.004 -5.756 -2.542 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.808 -7.435 -2.509 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.361 -6.979 -4.170 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.803 -8.527 -3.492 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.121 -7.398 -0.707 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.054 -8.489 -1.621 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.444 -6.916 -1.055 1.00 15.00 H new ATOM 873 N ALA A 60 -0.793 -5.520 -5.012 1.00 15.00 N ATOM 874 CA ALA A 60 0.170 -5.615 -6.107 1.00 15.00 C ATOM 875 C ALA A 60 1.125 -4.425 -6.152 1.00 15.00 C ATOM 876 O ALA A 60 0.751 -3.294 -5.841 1.00 15.00 O ATOM 877 CB ALA A 60 -0.566 -5.744 -7.432 1.00 15.00 C ATOM 0 H ALA A 60 -1.072 -4.570 -4.767 1.00 15.00 H new ATOM 0 HA ALA A 60 0.775 -6.504 -5.930 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.157 -5.814 -8.245 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.185 -6.641 -7.418 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.198 -4.869 -7.584 1.00 15.00 H new ATOM 883 N VAL A 61 2.358 -4.699 -6.571 1.00 15.00 N ATOM 884 CA VAL A 61 3.392 -3.677 -6.703 1.00 15.00 C ATOM 885 C VAL A 61 4.177 -3.926 -7.980 1.00 15.00 C ATOM 886 O VAL A 61 5.002 -4.837 -8.042 1.00 15.00 O ATOM 887 CB VAL A 61 4.366 -3.676 -5.508 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.418 -2.590 -5.679 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.614 -3.497 -4.199 1.00 15.00 C ATOM 0 H VAL A 61 2.668 -5.636 -6.828 1.00 15.00 H new ATOM 0 HA VAL A 61 2.897 -2.706 -6.731 1.00 15.00 H new ATOM 0 HB VAL A 61 4.871 -4.641 -5.477 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.097 -2.604 -4.826 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.981 -2.770 -6.595 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.930 -1.617 -5.739 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.321 -3.499 -3.370 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.077 -2.549 -4.215 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.904 -4.314 -4.073 1.00 15.00 H new ATOM 899 N ASN A 62 3.891 -3.139 -9.011 1.00 15.00 N ATOM 900 CA ASN A 62 4.552 -3.313 -10.295 1.00 15.00 C ATOM 901 C ASN A 62 4.172 -4.667 -10.896 1.00 15.00 C ATOM 902 O ASN A 62 4.810 -5.143 -11.835 1.00 15.00 O ATOM 903 CB ASN A 62 6.072 -3.206 -10.141 1.00 15.00 C ATOM 904 CG ASN A 62 6.573 -1.787 -10.328 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.555 -1.551 -11.031 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.898 -0.832 -9.696 1.00 15.00 N ATOM 0 H ASN A 62 3.210 -2.380 -8.982 1.00 15.00 H new ATOM 0 HA ASN A 62 4.222 -2.521 -10.967 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.360 -3.563 -9.152 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.555 -3.858 -10.869 1.00 15.00 H new ATOM 0 HD21 ASN A 62 6.189 0.142 -9.784 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.089 -1.073 -9.123 1.00 15.00 H new ATOM 913 N GLY A 63 3.120 -5.278 -10.344 1.00 15.00 N ATOM 914 CA GLY A 63 2.657 -6.565 -10.827 1.00 15.00 C ATOM 915 C GLY A 63 2.978 -7.713 -9.885 1.00 15.00 C ATOM 916 O GLY A 63 2.728 -8.873 -10.213 1.00 15.00 O ATOM 0 H GLY A 63 2.581 -4.898 -9.566 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.579 -6.521 -10.980 1.00 15.00 H new ATOM 0 HA3 GLY A 63 3.109 -6.764 -11.799 1.00 15.00 H new ATOM 920 N VAL A 64 3.525 -7.400 -8.713 1.00 15.00 N ATOM 921 CA VAL A 64 3.862 -8.432 -7.738 1.00 15.00 C ATOM 922 C VAL A 64 2.726 -8.637 -6.735 1.00 15.00 C ATOM 923 O VAL A 64 2.487 -7.797 -5.868 1.00 15.00 O ATOM 924 CB VAL A 64 5.173 -8.103 -6.987 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.964 -7.005 -5.957 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.743 -9.353 -6.334 1.00 15.00 C ATOM 0 H VAL A 64 3.743 -6.448 -8.418 1.00 15.00 H new ATOM 0 HA VAL A 64 4.010 -9.357 -8.295 1.00 15.00 H new ATOM 0 HB VAL A 64 5.892 -7.735 -7.719 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.906 -6.799 -5.448 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.616 -6.100 -6.455 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.220 -7.327 -5.228 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.665 -9.102 -5.810 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.020 -9.754 -5.624 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.953 -10.100 -7.100 1.00 15.00 H new ATOM 936 N SER A 65 2.026 -9.759 -6.860 1.00 15.00 N ATOM 937 CA SER A 65 0.916 -10.070 -5.965 1.00 15.00 C ATOM 938 C SER A 65 1.384 -10.107 -4.515 1.00 15.00 C ATOM 939 O SER A 65 2.407 -10.714 -4.197 1.00 15.00 O ATOM 940 CB SER A 65 0.286 -11.411 -6.346 1.00 15.00 C ATOM 941 OG SER A 65 -0.428 -11.311 -7.566 1.00 15.00 O ATOM 0 H SER A 65 2.207 -10.468 -7.571 1.00 15.00 H new ATOM 0 HA SER A 65 0.167 -9.285 -6.067 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.064 -12.169 -6.437 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.387 -11.739 -5.553 1.00 15.00 H new ATOM 0 HG SER A 65 -0.820 -12.181 -7.788 1.00 15.00 H new ATOM 947 N LEU A 66 0.631 -9.449 -3.642 1.00 15.00 N ATOM 948 CA LEU A 66 0.969 -9.399 -2.226 1.00 15.00 C ATOM 949 C LEU A 66 0.307 -10.542 -1.460 1.00 15.00 C ATOM 950 O LEU A 66 0.759 -10.916 -0.378 1.00 15.00 O ATOM 951 CB LEU A 66 0.548 -8.055 -1.631 1.00 15.00 C ATOM 952 CG LEU A 66 1.701 -7.102 -1.315 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.642 -7.722 -0.293 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.453 -6.739 -2.586 1.00 15.00 C ATOM 0 H LEU A 66 -0.219 -8.942 -3.891 1.00 15.00 H new ATOM 0 HA LEU A 66 2.049 -9.509 -2.133 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.131 -7.563 -2.327 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.013 -8.239 -0.715 1.00 15.00 H new ATOM 0 HG LEU A 66 1.287 -6.189 -0.888 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.456 -7.029 -0.081 1.00 15.00 H new ATOM 0 HD12 LEU A 66 2.094 -7.931 0.626 1.00 15.00 H new ATOM 0 HD13 LEU A 66 3.051 -8.651 -0.691 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.271 -6.060 -2.344 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.856 -7.644 -3.042 1.00 15.00 H new ATOM 0 HD23 LEU A 66 1.773 -6.253 -3.285 1.00 15.00 H new ATOM 966 N GLU A 67 -0.767 -11.092 -2.026 1.00 15.00 N ATOM 967 CA GLU A 67 -1.492 -12.193 -1.393 1.00 15.00 C ATOM 968 C GLU A 67 -0.528 -13.234 -0.826 1.00 15.00 C ATOM 969 O GLU A 67 -0.028 -14.094 -1.551 1.00 15.00 O ATOM 970 CB GLU A 67 -2.435 -12.852 -2.401 1.00 15.00 C ATOM 971 CG GLU A 67 -3.708 -12.060 -2.651 1.00 15.00 C ATOM 972 CD GLU A 67 -4.853 -12.932 -3.129 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.582 -13.970 -3.768 1.00 15.00 O ATOM 974 OE2 GLU A 67 -6.020 -12.576 -2.864 1.00 15.00 O ATOM 0 H GLU A 67 -1.154 -10.793 -2.921 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.075 -11.782 -0.569 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -1.908 -12.985 -3.346 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.700 -13.846 -2.042 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.002 -11.552 -1.732 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.511 -11.287 -3.393 1.00 15.00 H new ATOM 981 N GLY A 68 -0.270 -13.143 0.475 1.00 15.00 N ATOM 982 CA GLY A 68 0.635 -14.075 1.120 1.00 15.00 C ATOM 983 C GLY A 68 1.947 -13.425 1.514 1.00 15.00 C ATOM 984 O GLY A 68 3.008 -13.796 1.011 1.00 15.00 O ATOM 0 H GLY A 68 -0.672 -12.439 1.094 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.156 -14.488 2.008 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.833 -14.910 0.448 1.00 15.00 H new ATOM 988 N ALA A 69 1.874 -12.450 2.414 1.00 15.00 N ATOM 989 CA ALA A 69 3.061 -11.742 2.877 1.00 15.00 C ATOM 990 C ALA A 69 2.723 -10.795 4.024 1.00 15.00 C ATOM 991 O ALA A 69 1.608 -10.283 4.113 1.00 15.00 O ATOM 992 CB ALA A 69 3.697 -10.976 1.727 1.00 15.00 C ATOM 0 H ALA A 69 1.003 -12.132 2.838 1.00 15.00 H new ATOM 0 HA ALA A 69 3.774 -12.479 3.248 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.583 -10.451 2.085 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.982 -11.673 0.939 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.983 -10.254 1.332 1.00 15.00 H new ATOM 998 N THR A 70 3.694 -10.566 4.902 1.00 15.00 N ATOM 999 CA THR A 70 3.499 -9.680 6.046 1.00 15.00 C ATOM 1000 C THR A 70 3.657 -8.218 5.639 1.00 15.00 C ATOM 1001 O THR A 70 3.769 -7.898 4.455 1.00 15.00 O ATOM 1002 CB THR A 70 4.498 -10.015 7.158 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.747 -9.383 6.920 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.746 -11.502 7.318 1.00 15.00 C ATOM 0 H THR A 70 4.624 -10.981 4.844 1.00 15.00 H new ATOM 0 HA THR A 70 2.485 -9.831 6.416 1.00 15.00 H new ATOM 0 HB THR A 70 4.042 -9.645 8.076 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.370 -9.608 7.642 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.463 -11.667 8.122 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.809 -12.003 7.559 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.145 -11.906 6.388 1.00 15.00 H new ATOM 1012 N HIS A 71 3.664 -7.338 6.633 1.00 15.00 N ATOM 1013 CA HIS A 71 3.806 -5.908 6.397 1.00 15.00 C ATOM 1014 C HIS A 71 5.148 -5.605 5.741 1.00 15.00 C ATOM 1015 O HIS A 71 5.207 -5.060 4.639 1.00 15.00 O ATOM 1016 CB HIS A 71 3.653 -5.148 7.727 1.00 15.00 C ATOM 1017 CG HIS A 71 4.663 -4.065 7.964 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.380 -3.951 9.137 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.069 -3.040 7.178 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.180 -2.903 9.063 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.011 -2.334 7.885 1.00 15.00 N ATOM 0 H HIS A 71 3.572 -7.593 7.616 1.00 15.00 H new ATOM 0 HA HIS A 71 3.023 -5.576 5.715 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.657 -4.707 7.763 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.714 -5.865 8.546 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.304 -4.579 9.937 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.718 -2.819 6.181 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.857 -2.569 9.835 1.00 15.00 H new ATOM 1030 N LYS A 72 6.219 -5.967 6.431 1.00 15.00 N ATOM 1031 CA LYS A 72 7.569 -5.744 5.928 1.00 15.00 C ATOM 1032 C LYS A 72 7.731 -6.314 4.524 1.00 15.00 C ATOM 1033 O LYS A 72 8.445 -5.751 3.695 1.00 15.00 O ATOM 1034 CB LYS A 72 8.587 -6.381 6.872 1.00 15.00 C ATOM 1035 CG LYS A 72 10.022 -5.968 6.590 1.00 15.00 C ATOM 1036 CD LYS A 72 11.011 -7.003 7.102 1.00 15.00 C ATOM 1037 CE LYS A 72 11.022 -8.245 6.225 1.00 15.00 C ATOM 1038 NZ LYS A 72 11.605 -7.972 4.882 1.00 15.00 N ATOM 0 H LYS A 72 6.180 -6.418 7.345 1.00 15.00 H new ATOM 0 HA LYS A 72 7.744 -4.669 5.880 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.336 -6.112 7.898 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.509 -7.466 6.798 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.158 -5.832 5.517 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.224 -5.006 7.061 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.010 -6.569 7.132 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.753 -7.280 8.124 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.595 -9.031 6.716 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.004 -8.617 6.110 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 10.902 -8.191 4.147 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.872 -6.969 4.817 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.448 -8.565 4.743 1.00 15.00 H new ATOM 1052 N GLN A 73 7.058 -7.429 4.256 1.00 15.00 N ATOM 1053 CA GLN A 73 7.132 -8.055 2.941 1.00 15.00 C ATOM 1054 C GLN A 73 6.650 -7.079 1.881 1.00 15.00 C ATOM 1055 O GLN A 73 7.332 -6.840 0.884 1.00 15.00 O ATOM 1056 CB GLN A 73 6.294 -9.332 2.904 1.00 15.00 C ATOM 1057 CG GLN A 73 6.906 -10.472 3.697 1.00 15.00 C ATOM 1058 CD GLN A 73 6.794 -11.807 2.987 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.982 -12.654 3.359 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.613 -12.002 1.960 1.00 15.00 N ATOM 0 H GLN A 73 6.460 -7.914 4.926 1.00 15.00 H new ATOM 0 HA GLN A 73 8.169 -8.322 2.737 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.300 -9.118 3.296 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.167 -9.646 1.868 1.00 15.00 H new ATOM 0 HG2 GLN A 73 7.957 -10.254 3.887 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.414 -10.539 4.667 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.271 -11.272 1.686 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.585 -12.882 1.445 1.00 15.00 H new ATOM 1069 N ALA A 74 5.485 -6.492 2.120 1.00 15.00 N ATOM 1070 CA ALA A 74 4.933 -5.513 1.198 1.00 15.00 C ATOM 1071 C ALA A 74 5.816 -4.277 1.181 1.00 15.00 C ATOM 1072 O ALA A 74 6.167 -3.765 0.121 1.00 15.00 O ATOM 1073 CB ALA A 74 3.517 -5.143 1.582 1.00 15.00 C ATOM 0 H ALA A 74 4.908 -6.676 2.940 1.00 15.00 H new ATOM 0 HA ALA A 74 4.904 -5.951 0.200 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.128 -4.409 0.876 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.890 -6.034 1.561 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.511 -4.719 2.586 1.00 15.00 H new ATOM 1079 N VAL A 75 6.201 -3.822 2.375 1.00 15.00 N ATOM 1080 CA VAL A 75 7.082 -2.668 2.511 1.00 15.00 C ATOM 1081 C VAL A 75 8.205 -2.785 1.494 1.00 15.00 C ATOM 1082 O VAL A 75 8.587 -1.813 0.845 1.00 15.00 O ATOM 1083 CB VAL A 75 7.656 -2.594 3.947 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.165 -2.808 3.974 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.295 -1.282 4.611 1.00 15.00 C ATOM 0 H VAL A 75 5.914 -4.238 3.261 1.00 15.00 H new ATOM 0 HA VAL A 75 6.518 -1.753 2.327 1.00 15.00 H new ATOM 0 HB VAL A 75 7.200 -3.407 4.512 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.523 -2.747 5.002 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.401 -3.791 3.565 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.652 -2.039 3.374 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.711 -1.257 5.618 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.703 -0.455 4.029 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.210 -1.187 4.664 1.00 15.00 H new ATOM 1095 N GLU A 76 8.699 -4.006 1.348 1.00 15.00 N ATOM 1096 CA GLU A 76 9.750 -4.293 0.393 1.00 15.00 C ATOM 1097 C GLU A 76 9.227 -4.123 -1.030 1.00 15.00 C ATOM 1098 O GLU A 76 9.889 -3.522 -1.871 1.00 15.00 O ATOM 1099 CB GLU A 76 10.279 -5.715 0.593 1.00 15.00 C ATOM 1100 CG GLU A 76 10.799 -5.980 1.996 1.00 15.00 C ATOM 1101 CD GLU A 76 12.310 -5.887 2.083 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.982 -6.201 1.078 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.820 -5.501 3.155 1.00 15.00 O ATOM 0 H GLU A 76 8.384 -4.815 1.884 1.00 15.00 H new ATOM 0 HA GLU A 76 10.568 -3.591 0.555 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.482 -6.425 0.370 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.080 -5.900 -0.123 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.354 -5.263 2.686 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.480 -6.972 2.317 1.00 15.00 H new ATOM 1110 N THR A 77 8.030 -4.653 -1.295 1.00 15.00 N ATOM 1111 CA THR A 77 7.434 -4.544 -2.624 1.00 15.00 C ATOM 1112 C THR A 77 7.141 -3.090 -2.984 1.00 15.00 C ATOM 1113 O THR A 77 7.580 -2.602 -4.024 1.00 15.00 O ATOM 1114 CB THR A 77 6.155 -5.373 -2.723 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.224 -4.987 -1.729 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.394 -6.861 -2.584 1.00 15.00 C ATOM 0 H THR A 77 7.462 -5.156 -0.614 1.00 15.00 H new ATOM 0 HA THR A 77 8.160 -4.936 -3.336 1.00 15.00 H new ATOM 0 HB THR A 77 5.763 -5.178 -3.721 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.627 -4.307 -1.150 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.445 -7.391 -2.664 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.065 -7.197 -3.375 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.845 -7.068 -1.613 1.00 15.00 H new ATOM 1124 N LEU A 78 6.397 -2.399 -2.119 1.00 15.00 N ATOM 1125 CA LEU A 78 6.052 -1.000 -2.363 1.00 15.00 C ATOM 1126 C LEU A 78 7.311 -0.189 -2.630 1.00 15.00 C ATOM 1127 O LEU A 78 7.387 0.567 -3.599 1.00 15.00 O ATOM 1128 CB LEU A 78 5.304 -0.401 -1.165 1.00 15.00 C ATOM 1129 CG LEU A 78 4.320 -1.337 -0.458 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.449 -0.556 0.513 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.459 -2.078 -1.469 1.00 15.00 C ATOM 0 H LEU A 78 6.025 -2.782 -1.250 1.00 15.00 H new ATOM 0 HA LEU A 78 5.401 -0.962 -3.236 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.039 -0.059 -0.436 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.759 0.479 -1.505 1.00 15.00 H new ATOM 0 HG LEU A 78 4.893 -2.073 0.105 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.755 -1.236 1.007 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.079 -0.074 1.260 1.00 15.00 H new ATOM 0 HD13 LEU A 78 2.887 0.203 -0.032 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.767 -2.737 -0.944 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.895 -1.359 -2.063 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.097 -2.670 -2.126 1.00 15.00 H new ATOM 1143 N ARG A 79 8.297 -0.364 -1.765 1.00 15.00 N ATOM 1144 CA ARG A 79 9.564 0.334 -1.894 1.00 15.00 C ATOM 1145 C ARG A 79 10.335 -0.165 -3.115 1.00 15.00 C ATOM 1146 O ARG A 79 10.671 0.612 -4.009 1.00 15.00 O ATOM 1147 CB ARG A 79 10.390 0.138 -0.622 1.00 15.00 C ATOM 1148 CG ARG A 79 11.249 1.339 -0.261 1.00 15.00 C ATOM 1149 CD ARG A 79 12.732 1.021 -0.373 1.00 15.00 C ATOM 1150 NE ARG A 79 13.560 2.037 0.271 1.00 15.00 N ATOM 1151 CZ ARG A 79 14.831 1.846 0.616 1.00 15.00 C ATOM 1152 NH1 ARG A 79 15.421 0.681 0.379 1.00 15.00 N ATOM 1153 NH2 ARG A 79 15.514 2.822 1.198 1.00 15.00 N ATOM 0 H ARG A 79 8.242 -0.989 -0.960 1.00 15.00 H new ATOM 0 HA ARG A 79 9.368 1.397 -2.032 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.717 -0.079 0.208 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.033 -0.733 -0.747 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.004 2.173 -0.919 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.021 1.658 0.756 1.00 15.00 H new ATOM 0 HD2 ARG A 79 12.930 0.050 0.082 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.007 0.942 -1.425 1.00 15.00 H new ATOM 0 HE ARG A 79 13.140 2.945 0.468 1.00 15.00 H new ATOM 0 HH11 ARG A 79 14.900 -0.073 -0.069 1.00 15.00 H new ATOM 0 HH12 ARG A 79 16.395 0.539 0.645 1.00 15.00 H new ATOM 0 HH21 ARG A 79 15.065 3.719 1.381 1.00 15.00 H new ATOM 0 HH22 ARG A 79 16.488 2.675 1.462 1.00 15.00 H new ATOM 1167 N ASN A 80 10.611 -1.466 -3.141 1.00 15.00 N ATOM 1168 CA ASN A 80 11.342 -2.084 -4.246 1.00 15.00 C ATOM 1169 C ASN A 80 10.550 -2.035 -5.554 1.00 15.00 C ATOM 1170 O ASN A 80 10.194 -3.076 -6.108 1.00 15.00 O ATOM 1171 CB ASN A 80 11.683 -3.537 -3.907 1.00 15.00 C ATOM 1172 CG ASN A 80 12.502 -3.657 -2.636 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.355 -2.816 -2.352 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.247 -4.707 -1.865 1.00 15.00 N ATOM 0 H ASN A 80 10.338 -2.117 -2.405 1.00 15.00 H new ATOM 0 HA ASN A 80 12.260 -1.513 -4.387 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.761 -4.108 -3.797 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.236 -3.981 -4.735 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.767 -4.841 -0.998 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.531 -5.379 -2.140 1.00 15.00 H new ATOM 1181 N THR A 81 10.284 -0.833 -6.053 1.00 15.00 N ATOM 1182 CA THR A 81 9.546 -0.681 -7.304 1.00 15.00 C ATOM 1183 C THR A 81 10.512 -0.532 -8.480 1.00 15.00 C ATOM 1184 O THR A 81 10.687 -1.460 -9.270 1.00 15.00 O ATOM 1185 CB THR A 81 8.600 0.520 -7.232 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.880 1.313 -6.092 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.139 0.126 -7.169 1.00 15.00 C ATOM 0 H THR A 81 10.565 0.045 -5.616 1.00 15.00 H new ATOM 0 HA THR A 81 8.947 -1.579 -7.459 1.00 15.00 H new ATOM 0 HB THR A 81 8.771 1.078 -8.152 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.347 0.995 -5.334 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.522 1.023 -7.120 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.878 -0.446 -8.060 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.964 -0.484 -6.282 1.00 15.00 H new ATOM 1195 N GLY A 82 11.144 0.634 -8.584 1.00 15.00 N ATOM 1196 CA GLY A 82 12.091 0.873 -9.656 1.00 15.00 C ATOM 1197 C GLY A 82 11.729 2.069 -10.515 1.00 15.00 C ATOM 1198 O GLY A 82 11.909 3.216 -10.107 1.00 15.00 O ATOM 0 H GLY A 82 11.016 1.417 -7.944 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.082 1.027 -9.229 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.149 -0.015 -10.286 1.00 15.00 H new ATOM 1202 N GLN A 83 11.232 1.794 -11.713 1.00 15.00 N ATOM 1203 CA GLN A 83 10.853 2.849 -12.655 1.00 15.00 C ATOM 1204 C GLN A 83 9.691 3.685 -12.121 1.00 15.00 C ATOM 1205 O GLN A 83 9.896 4.764 -11.567 1.00 15.00 O ATOM 1206 CB GLN A 83 10.493 2.257 -14.026 1.00 15.00 C ATOM 1207 CG GLN A 83 9.858 0.875 -13.967 1.00 15.00 C ATOM 1208 CD GLN A 83 8.727 0.711 -14.963 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.975 1.650 -15.225 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.599 -0.486 -15.522 1.00 15.00 N ATOM 0 H GLN A 83 11.080 0.847 -12.060 1.00 15.00 H new ATOM 0 HA GLN A 83 11.716 3.504 -12.773 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.808 2.937 -14.533 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.396 2.203 -14.633 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.620 0.120 -14.161 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.480 0.695 -12.961 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.245 -1.236 -15.275 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.855 -0.656 -16.198 1.00 15.00 H new ATOM 1219 N VAL A 84 8.473 3.183 -12.295 1.00 15.00 N ATOM 1220 CA VAL A 84 7.281 3.879 -11.830 1.00 15.00 C ATOM 1221 C VAL A 84 6.661 3.141 -10.646 1.00 15.00 C ATOM 1222 O VAL A 84 6.889 1.946 -10.456 1.00 15.00 O ATOM 1223 CB VAL A 84 6.238 4.020 -12.961 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.894 4.489 -12.419 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.745 4.979 -14.026 1.00 15.00 C ATOM 0 H VAL A 84 8.286 2.293 -12.757 1.00 15.00 H new ATOM 0 HA VAL A 84 7.583 4.877 -11.513 1.00 15.00 H new ATOM 0 HB VAL A 84 6.092 3.038 -13.410 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.182 4.578 -13.239 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.522 3.766 -11.693 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.015 5.459 -11.936 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.001 5.070 -14.818 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.922 5.958 -13.580 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.676 4.598 -14.445 1.00 15.00 H new ATOM 1235 N VAL A 85 5.877 3.857 -9.856 1.00 15.00 N ATOM 1236 CA VAL A 85 5.225 3.275 -8.693 1.00 15.00 C ATOM 1237 C VAL A 85 3.782 2.898 -9.018 1.00 15.00 C ATOM 1238 O VAL A 85 2.845 3.608 -8.654 1.00 15.00 O ATOM 1239 CB VAL A 85 5.262 4.263 -7.508 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.362 3.816 -6.370 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.691 4.457 -7.023 1.00 15.00 C ATOM 0 H VAL A 85 5.676 4.847 -10.000 1.00 15.00 H new ATOM 0 HA VAL A 85 5.765 2.370 -8.414 1.00 15.00 H new ATOM 0 HB VAL A 85 4.880 5.220 -7.864 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.418 4.539 -5.556 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.334 3.747 -6.725 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.688 2.840 -6.010 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.700 5.157 -6.187 1.00 15.00 H new ATOM 0 HG22 VAL A 85 7.098 3.499 -6.699 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.300 4.854 -7.835 1.00 15.00 H new ATOM 1251 N HIS A 86 3.614 1.774 -9.712 1.00 15.00 N ATOM 1252 CA HIS A 86 2.288 1.297 -10.094 1.00 15.00 C ATOM 1253 C HIS A 86 1.799 0.221 -9.131 1.00 15.00 C ATOM 1254 O HIS A 86 2.021 -0.970 -9.350 1.00 15.00 O ATOM 1255 CB HIS A 86 2.313 0.748 -11.521 1.00 15.00 C ATOM 1256 CG HIS A 86 0.983 0.798 -12.206 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.150 1.316 -11.614 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.607 0.393 -13.443 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.164 1.227 -12.455 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.732 0.671 -13.572 1.00 15.00 N ATOM 0 H HIS A 86 4.381 1.177 -10.021 1.00 15.00 H new ATOM 0 HA HIS A 86 1.598 2.140 -10.048 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.036 1.316 -12.107 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.662 -0.284 -11.498 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.242 -0.063 -14.188 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.175 1.554 -12.262 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.300 0.479 -14.397 1.00 15.00 H new ATOM 1269 N LEU A 87 1.142 0.650 -8.061 1.00 15.00 N ATOM 1270 CA LEU A 87 0.630 -0.269 -7.055 1.00 15.00 C ATOM 1271 C LEU A 87 -0.879 -0.456 -7.180 1.00 15.00 C ATOM 1272 O LEU A 87 -1.635 0.510 -7.152 1.00 15.00 O ATOM 1273 CB LEU A 87 0.966 0.251 -5.658 1.00 15.00 C ATOM 1274 CG LEU A 87 1.899 -0.640 -4.848 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.006 0.182 -4.204 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.112 -1.404 -3.794 1.00 15.00 C ATOM 0 H LEU A 87 0.951 1.633 -7.868 1.00 15.00 H new ATOM 0 HA LEU A 87 1.106 -1.236 -7.216 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.421 1.237 -5.753 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.038 0.381 -5.102 1.00 15.00 H new ATOM 0 HG LEU A 87 2.364 -1.359 -5.523 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.660 -0.475 -3.631 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.585 0.684 -4.979 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.567 0.927 -3.540 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.790 -2.037 -3.222 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.622 -0.698 -3.123 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.360 -2.025 -4.281 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.312 -1.706 -7.291 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.734 -2.017 -7.388 1.00 15.00 C ATOM 1290 C LEU A 88 -3.239 -2.505 -6.037 1.00 15.00 C ATOM 1291 O LEU A 88 -2.994 -3.646 -5.645 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.979 -3.074 -8.465 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.129 -2.529 -9.888 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.105 -1.434 -10.154 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.989 -3.651 -10.905 1.00 15.00 C ATOM 0 H LEU A 88 -0.699 -2.521 -7.316 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.279 -1.116 -7.669 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.152 -3.784 -8.450 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.881 -3.629 -8.208 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.125 -2.097 -9.987 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.228 -1.060 -11.170 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.253 -0.618 -9.447 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.100 -1.839 -10.036 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.098 -3.246 -11.911 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.007 -4.113 -10.804 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.762 -4.400 -10.729 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.916 -1.622 -5.317 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.424 -1.947 -3.991 1.00 15.00 C ATOM 1309 C LEU A 89 -5.931 -2.160 -3.991 1.00 15.00 C ATOM 1310 O LEU A 89 -6.556 -2.336 -5.036 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.079 -0.831 -3.001 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.052 0.178 -3.495 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.995 1.375 -2.565 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.694 -0.479 -3.609 1.00 15.00 C ATOM 0 H LEU A 89 -4.127 -0.674 -5.629 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.946 -2.879 -3.688 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.995 -0.298 -2.745 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.707 -1.284 -2.082 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.350 0.531 -4.482 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.256 2.087 -2.933 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.973 1.854 -2.528 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.715 1.045 -1.565 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.966 0.250 -3.963 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.388 -0.853 -2.632 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.749 -1.308 -4.314 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.499 -2.120 -2.792 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.932 -2.283 -2.601 1.00 15.00 C ATOM 1328 C GLU A 90 -8.413 -1.355 -1.490 1.00 15.00 C ATOM 1329 O GLU A 90 -7.757 -1.217 -0.458 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.266 -3.746 -2.276 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.394 -3.926 -1.269 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.968 -5.330 -1.279 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.664 -6.089 -2.222 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.722 -5.669 -0.342 1.00 15.00 O ATOM 0 H GLU A 90 -5.979 -1.974 -1.927 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.448 -2.018 -3.524 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.535 -4.258 -3.200 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.370 -4.233 -1.891 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.024 -3.696 -0.270 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.188 -3.212 -1.487 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.557 -0.717 -1.709 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.116 0.202 -0.725 1.00 15.00 C ATOM 1343 C LYS A 91 -10.163 -0.439 0.659 1.00 15.00 C ATOM 1344 O LYS A 91 -10.982 -1.321 0.921 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.514 0.643 -1.154 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.019 1.866 -0.408 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.096 3.058 -0.603 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.132 3.213 0.562 1.00 15.00 C ATOM 1349 NZ LYS A 91 -9.998 4.634 0.987 1.00 15.00 N ATOM 0 H LYS A 91 -10.114 -0.819 -2.557 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.469 1.078 -0.669 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.507 0.856 -2.223 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.210 -0.181 -0.998 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.020 2.119 -0.757 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.100 1.637 0.655 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.533 2.936 -1.528 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.690 3.966 -0.708 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.480 2.614 1.403 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.154 2.825 0.278 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -9.332 4.697 1.783 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.642 5.202 0.192 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.927 4.997 1.283 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.271 0.008 1.536 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.213 -0.531 2.883 1.00 15.00 C ATOM 1365 C GLY A 92 -10.428 -0.169 3.712 1.00 15.00 C ATOM 1366 O GLY A 92 -11.254 0.645 3.297 1.00 15.00 O ATOM 0 H GLY A 92 -8.585 0.736 1.338 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.124 -1.616 2.832 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.316 -0.160 3.380 1.00 15.00 H new