USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc=-0.00685 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -155:sc= 0.0598 (180deg=0) USER MOD Set 2.2: A 44 ASN : amide:sc= -0.0665 K(o=0.083,f=-2.6) USER MOD Set 2.3: A 76 SER OG : rot -135:sc= 0.0893 USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= 0.775 (180deg=-1.27) USER MOD Single : A 18 TYR OH : rot -90:sc= 0.0109 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= 0.218 (180deg=0.000978) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 22:sc= 0.00217 USER MOD Single : A 62 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.7!) USER MOD Single : A 68 ASN : amide:sc= -0.77 K(o=-0.77,f=-2.4) USER MOD Single : A 69 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.2) USER MOD Single : A 70 CYS SG : rot 22:sc= -3.05! USER MOD Single : A 71 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.52) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 99:sc= 0.476 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00303 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot -160:sc= -2.13 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 79:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 9 -12.056 -0.832 -9.380 1.00 0.00 N ATOM 77 CA ALA A 9 -12.245 -0.712 -7.940 1.00 0.00 C ATOM 78 C ALA A 9 -11.307 0.335 -7.349 1.00 0.00 C ATOM 79 O ALA A 9 -11.651 1.017 -6.383 1.00 0.00 O ATOM 80 CB ALA A 9 -12.028 -2.059 -7.266 1.00 0.00 C ATOM 0 HA ALA A 9 -13.270 -0.388 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.172 -1.955 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.742 -2.782 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.014 -2.406 -7.464 1.00 0.00 H new ATOM 86 N PHE A 10 -10.120 0.458 -7.934 1.00 0.00 N ATOM 87 CA PHE A 10 -9.132 1.421 -7.463 1.00 0.00 C ATOM 88 C PHE A 10 -9.225 2.725 -8.252 1.00 0.00 C ATOM 89 O PHE A 10 -9.150 2.726 -9.480 1.00 0.00 O ATOM 90 CB PHE A 10 -7.722 0.838 -7.584 1.00 0.00 C ATOM 91 CG PHE A 10 -7.409 -0.194 -6.539 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.056 0.187 -5.254 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.467 -1.545 -6.841 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.766 -0.761 -4.291 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.179 -2.497 -5.882 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.829 -2.104 -4.605 1.00 0.00 C ATOM 0 H PHE A 10 -9.819 -0.097 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.340 1.635 -6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.606 0.391 -8.571 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.995 1.647 -7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.007 1.236 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.741 -1.858 -7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.490 -0.452 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.227 -3.547 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.605 -2.846 -3.853 1.00 0.00 H new ATOM 106 N ALA A 11 -9.389 3.832 -7.535 1.00 0.00 N ATOM 107 CA ALA A 11 -9.490 5.142 -8.166 1.00 0.00 C ATOM 108 C ALA A 11 -8.110 5.733 -8.429 1.00 0.00 C ATOM 109 O ALA A 11 -7.946 6.593 -9.295 1.00 0.00 O ATOM 110 CB ALA A 11 -10.313 6.083 -7.299 1.00 0.00 C ATOM 0 H ALA A 11 -9.455 3.848 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.991 5.018 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.380 7.058 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.315 5.674 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.835 6.193 -6.326 1.00 0.00 H new ATOM 116 N LYS A 12 -7.119 5.267 -7.677 1.00 0.00 N ATOM 117 CA LYS A 12 -5.751 5.749 -7.829 1.00 0.00 C ATOM 118 C LYS A 12 -4.748 4.688 -7.386 1.00 0.00 C ATOM 119 O LYS A 12 -4.598 4.422 -6.194 1.00 0.00 O ATOM 120 CB LYS A 12 -5.546 7.030 -7.016 1.00 0.00 C ATOM 121 CG LYS A 12 -4.274 7.779 -7.372 1.00 0.00 C ATOM 122 CD LYS A 12 -4.006 8.916 -6.400 1.00 0.00 C ATOM 123 CE LYS A 12 -4.934 10.095 -6.651 1.00 0.00 C ATOM 124 NZ LYS A 12 -6.197 9.983 -5.870 1.00 0.00 N ATOM 0 H LYS A 12 -7.237 4.556 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.584 5.965 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.401 7.689 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.525 6.778 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.431 7.089 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.355 8.176 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.136 8.560 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.970 9.241 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.424 11.021 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.168 10.153 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.489 10.927 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.942 9.578 -6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.043 9.366 -5.047 1.00 0.00 H new ATOM 138 N ILE A 13 -4.064 4.087 -8.354 1.00 0.00 N ATOM 139 CA ILE A 13 -3.074 3.058 -8.063 1.00 0.00 C ATOM 140 C ILE A 13 -1.759 3.675 -7.600 1.00 0.00 C ATOM 141 O ILE A 13 -1.542 4.879 -7.740 1.00 0.00 O ATOM 142 CB ILE A 13 -2.807 2.170 -9.293 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.318 3.021 -10.467 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.063 1.402 -9.675 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.594 2.226 -11.531 1.00 0.00 C ATOM 0 H ILE A 13 -4.177 4.295 -9.346 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.485 2.442 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.028 1.450 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.172 3.525 -10.920 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.653 3.798 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.858 0.779 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.371 0.770 -8.842 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.862 2.105 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.276 2.894 -12.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.720 1.743 -11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.263 1.467 -11.936 1.00 0.00 H new ATOM 157 N LEU A 14 -0.882 2.842 -7.050 1.00 0.00 N ATOM 158 CA LEU A 14 0.414 3.305 -6.567 1.00 0.00 C ATOM 159 C LEU A 14 1.401 3.457 -7.720 1.00 0.00 C ATOM 160 O LEU A 14 1.266 2.807 -8.756 1.00 0.00 O ATOM 161 CB LEU A 14 0.972 2.330 -5.529 1.00 0.00 C ATOM 162 CG LEU A 14 0.056 2.014 -4.346 1.00 0.00 C ATOM 163 CD1 LEU A 14 -0.802 0.795 -4.646 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.875 1.794 -3.082 1.00 0.00 C ATOM 0 H LEU A 14 -1.045 1.843 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 14 0.273 4.280 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.217 1.395 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.906 2.738 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.604 2.866 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.447 0.585 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.415 0.989 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.159 -0.065 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.207 1.570 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.559 0.959 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.446 2.695 -2.857 1.00 0.00 H new ATOM 176 N ASP A 15 2.395 4.319 -7.531 1.00 0.00 N ATOM 177 CA ASP A 15 3.407 4.554 -8.554 1.00 0.00 C ATOM 178 C ASP A 15 4.059 3.244 -8.985 1.00 0.00 C ATOM 179 O ASP A 15 4.120 2.274 -8.229 1.00 0.00 O ATOM 180 CB ASP A 15 4.472 5.522 -8.035 1.00 0.00 C ATOM 181 CG ASP A 15 3.900 6.884 -7.694 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.319 7.526 -8.594 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.033 7.307 -6.527 1.00 0.00 O ATOM 0 H ASP A 15 2.521 4.866 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 15 2.916 4.997 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.944 5.097 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.252 5.637 -8.788 1.00 0.00 H new ATOM 188 N PRO A 16 4.558 3.212 -10.230 1.00 0.00 N ATOM 189 CA PRO A 16 5.214 2.027 -10.790 1.00 0.00 C ATOM 190 C PRO A 16 6.564 1.748 -10.136 1.00 0.00 C ATOM 191 O PRO A 16 7.173 0.705 -10.369 1.00 0.00 O ATOM 192 CB PRO A 16 5.399 2.388 -12.266 1.00 0.00 C ATOM 193 CG PRO A 16 5.436 3.877 -12.290 1.00 0.00 C ATOM 194 CD PRO A 16 4.521 4.332 -11.186 1.00 0.00 C ATOM 0 HA PRO A 16 4.628 1.122 -10.629 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.320 1.963 -12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.580 2.002 -12.873 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.450 4.245 -12.133 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.104 4.260 -13.255 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.869 5.260 -10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.511 4.516 -11.551 1.00 0.00 H new ATOM 202 N ALA A 17 7.025 2.687 -9.317 1.00 0.00 N ATOM 203 CA ALA A 17 8.301 2.541 -8.628 1.00 0.00 C ATOM 204 C ALA A 17 8.534 3.691 -7.655 1.00 0.00 C ATOM 205 O ALA A 17 8.314 4.855 -7.990 1.00 0.00 O ATOM 206 CB ALA A 17 9.438 2.459 -9.635 1.00 0.00 C ATOM 0 H ALA A 17 6.534 3.558 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 17 8.272 1.615 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.385 2.350 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.285 1.599 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.460 3.369 -10.234 1.00 0.00 H new ATOM 212 N TYR A 18 8.981 3.358 -6.449 1.00 0.00 N ATOM 213 CA TYR A 18 9.242 4.364 -5.426 1.00 0.00 C ATOM 214 C TYR A 18 10.736 4.474 -5.137 1.00 0.00 C ATOM 215 O TYR A 18 11.519 3.610 -5.530 1.00 0.00 O ATOM 216 CB TYR A 18 8.487 4.022 -4.140 1.00 0.00 C ATOM 217 CG TYR A 18 7.015 4.364 -4.193 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.149 3.668 -5.027 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.490 5.384 -3.408 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.804 3.978 -5.079 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.146 5.700 -3.453 1.00 0.00 C ATOM 222 CZ TYR A 18 4.307 4.994 -4.290 1.00 0.00 C ATOM 223 OH TYR A 18 2.967 5.306 -4.338 1.00 0.00 O ATOM 0 H TYR A 18 9.170 2.399 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 18 8.891 5.325 -5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.597 2.957 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.945 4.555 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.534 2.871 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.144 5.939 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.145 3.428 -5.734 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.754 6.495 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 18 2.814 5.986 -5.027 1.00 0.00 H new ATOM 233 N GLN A 19 11.122 5.542 -4.448 1.00 0.00 N ATOM 234 CA GLN A 19 12.522 5.765 -4.106 1.00 0.00 C ATOM 235 C GLN A 19 12.648 6.475 -2.762 1.00 0.00 C ATOM 236 O GLN A 19 12.065 7.540 -2.554 1.00 0.00 O ATOM 237 CB GLN A 19 13.210 6.587 -5.197 1.00 0.00 C ATOM 238 CG GLN A 19 13.744 5.747 -6.346 1.00 0.00 C ATOM 239 CD GLN A 19 13.849 6.529 -7.641 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.943 6.896 -8.071 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.709 6.788 -8.270 1.00 0.00 N ATOM 0 H GLN A 19 10.486 6.267 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 19 13.011 4.794 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.503 7.318 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.034 7.147 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.727 5.358 -6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.091 4.887 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.825 6.464 -7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.717 7.310 -9.146 1.00 0.00 H new ATOM 250 N VAL A 20 13.412 5.879 -1.853 1.00 0.00 N ATOM 251 CA VAL A 20 13.615 6.455 -0.529 1.00 0.00 C ATOM 252 C VAL A 20 15.027 6.183 -0.022 1.00 0.00 C ATOM 253 O VAL A 20 15.715 5.292 -0.519 1.00 0.00 O ATOM 254 CB VAL A 20 12.601 5.897 0.488 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.996 4.493 0.920 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.488 6.822 1.690 1.00 0.00 C ATOM 0 H VAL A 20 13.901 4.997 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 20 13.467 7.531 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 20 11.624 5.842 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.268 4.115 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.020 3.838 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.983 4.519 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.768 6.412 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.461 6.911 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.154 7.806 1.362 1.00 0.00 H new ATOM 266 N ASP A 21 15.453 6.958 0.970 1.00 0.00 N ATOM 267 CA ASP A 21 16.783 6.800 1.546 1.00 0.00 C ATOM 268 C ASP A 21 16.798 5.682 2.583 1.00 0.00 C ATOM 269 O ASP A 21 15.762 5.332 3.149 1.00 0.00 O ATOM 270 CB ASP A 21 17.244 8.111 2.185 1.00 0.00 C ATOM 271 CG ASP A 21 16.412 8.490 3.394 1.00 0.00 C ATOM 272 OD1 ASP A 21 16.692 7.969 4.493 1.00 0.00 O ATOM 273 OD2 ASP A 21 15.479 9.306 3.241 1.00 0.00 O ATOM 0 H ASP A 21 14.896 7.702 1.392 1.00 0.00 H new ATOM 0 HA ASP A 21 17.470 6.534 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.289 8.020 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.191 8.910 1.446 1.00 0.00 H new ATOM 278 N LYS A 22 17.978 5.123 2.826 1.00 0.00 N ATOM 279 CA LYS A 22 18.129 4.044 3.795 1.00 0.00 C ATOM 280 C LYS A 22 17.498 4.420 5.132 1.00 0.00 C ATOM 281 O LYS A 22 17.412 5.597 5.479 1.00 0.00 O ATOM 282 CB LYS A 22 19.610 3.712 3.994 1.00 0.00 C ATOM 283 CG LYS A 22 19.850 2.523 4.908 1.00 0.00 C ATOM 284 CD LYS A 22 21.257 2.535 5.481 1.00 0.00 C ATOM 285 CE LYS A 22 22.273 2.017 4.474 1.00 0.00 C ATOM 286 NZ LYS A 22 23.557 1.637 5.127 1.00 0.00 N ATOM 0 H LYS A 22 18.845 5.399 2.365 1.00 0.00 H new ATOM 0 HA LYS A 22 17.615 3.166 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 22 20.062 3.510 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.117 4.584 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.125 2.536 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.690 1.598 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.522 3.550 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.290 1.921 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.860 1.153 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 22 22.461 2.782 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 24.223 1.289 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.964 2.468 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.382 0.888 5.828 1.00 0.00 H new ATOM 300 N GLY A 23 17.057 3.411 5.878 1.00 0.00 N ATOM 301 CA GLY A 23 16.440 3.658 7.168 1.00 0.00 C ATOM 302 C GLY A 23 15.607 4.924 7.180 1.00 0.00 C ATOM 303 O GLY A 23 15.549 5.627 8.188 1.00 0.00 O ATOM 0 H GLY A 23 17.116 2.428 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.810 2.810 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.216 3.730 7.930 1.00 0.00 H new ATOM 307 N GLY A 24 14.961 5.216 6.056 1.00 0.00 N ATOM 308 CA GLY A 24 14.137 6.407 5.962 1.00 0.00 C ATOM 309 C GLY A 24 12.663 6.109 6.150 1.00 0.00 C ATOM 310 O GLY A 24 12.292 5.278 6.980 1.00 0.00 O ATOM 0 H GLY A 24 14.993 4.649 5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.458 7.127 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.289 6.874 4.989 1.00 0.00 H new ATOM 314 N ARG A 25 11.820 6.789 5.380 1.00 0.00 N ATOM 315 CA ARG A 25 10.378 6.594 5.469 1.00 0.00 C ATOM 316 C ARG A 25 9.730 6.695 4.091 1.00 0.00 C ATOM 317 O ARG A 25 9.895 7.691 3.387 1.00 0.00 O ATOM 318 CB ARG A 25 9.759 7.628 6.411 1.00 0.00 C ATOM 319 CG ARG A 25 8.381 7.239 6.922 1.00 0.00 C ATOM 320 CD ARG A 25 7.772 8.340 7.776 1.00 0.00 C ATOM 321 NE ARG A 25 6.325 8.197 7.904 1.00 0.00 N ATOM 322 CZ ARG A 25 5.559 9.046 8.580 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.100 10.094 9.185 1.00 0.00 N ATOM 324 NH2 ARG A 25 4.249 8.848 8.650 1.00 0.00 N ATOM 0 H ARG A 25 12.111 7.480 4.688 1.00 0.00 H new ATOM 0 HA ARG A 25 10.196 5.595 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.424 7.776 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.688 8.584 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.725 7.027 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.454 6.322 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.227 8.324 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.003 9.310 7.335 1.00 0.00 H new ATOM 0 HE ARG A 25 5.877 7.401 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.107 10.250 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.510 10.744 9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.829 8.043 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.662 9.500 9.169 1.00 0.00 H new ATOM 338 N VAL A 26 8.993 5.656 3.712 1.00 0.00 N ATOM 339 CA VAL A 26 8.320 5.627 2.419 1.00 0.00 C ATOM 340 C VAL A 26 6.846 5.994 2.558 1.00 0.00 C ATOM 341 O VAL A 26 6.297 5.991 3.660 1.00 0.00 O ATOM 342 CB VAL A 26 8.432 4.240 1.759 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.841 4.011 1.232 1.00 0.00 C ATOM 344 CG2 VAL A 26 8.038 3.148 2.742 1.00 0.00 C ATOM 0 H VAL A 26 8.847 4.823 4.282 1.00 0.00 H new ATOM 0 HA VAL A 26 8.817 6.363 1.787 1.00 0.00 H new ATOM 0 HB VAL A 26 7.743 4.203 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.901 3.026 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.081 4.775 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.552 4.068 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.123 2.175 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.699 3.182 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.009 3.304 3.065 1.00 0.00 H new ATOM 354 N ARG A 27 6.212 6.308 1.433 1.00 0.00 N ATOM 355 CA ARG A 27 4.802 6.678 1.430 1.00 0.00 C ATOM 356 C ARG A 27 4.030 5.867 0.393 1.00 0.00 C ATOM 357 O ARG A 27 4.416 5.803 -0.774 1.00 0.00 O ATOM 358 CB ARG A 27 4.645 8.173 1.143 1.00 0.00 C ATOM 359 CG ARG A 27 3.212 8.666 1.248 1.00 0.00 C ATOM 360 CD ARG A 27 3.108 10.150 0.930 1.00 0.00 C ATOM 361 NE ARG A 27 3.935 10.959 1.821 1.00 0.00 N ATOM 362 CZ ARG A 27 3.757 12.262 2.007 1.00 0.00 C ATOM 363 NH1 ARG A 27 2.786 12.900 1.367 1.00 0.00 N ATOM 364 NH2 ARG A 27 4.550 12.930 2.834 1.00 0.00 N ATOM 0 H ARG A 27 6.652 6.314 0.513 1.00 0.00 H new ATOM 0 HA ARG A 27 4.393 6.459 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.266 8.735 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.020 8.383 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.581 8.101 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.835 8.481 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.412 10.322 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.068 10.467 1.013 1.00 0.00 H new ATOM 0 HE ARG A 27 4.691 10.498 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.174 12.390 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.651 13.901 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.298 12.443 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.412 13.931 2.976 1.00 0.00 H new ATOM 378 N PHE A 28 2.937 5.248 0.828 1.00 0.00 N ATOM 379 CA PHE A 28 2.111 4.439 -0.061 1.00 0.00 C ATOM 380 C PHE A 28 0.629 4.722 0.166 1.00 0.00 C ATOM 381 O PHE A 28 0.058 4.322 1.181 1.00 0.00 O ATOM 382 CB PHE A 28 2.397 2.952 0.155 1.00 0.00 C ATOM 383 CG PHE A 28 3.772 2.536 -0.284 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.119 2.548 -1.625 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.718 2.131 0.645 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.383 2.167 -2.033 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.984 1.749 0.243 1.00 0.00 C ATOM 388 CZ PHE A 28 6.316 1.765 -1.097 1.00 0.00 C ATOM 0 H PHE A 28 2.603 5.291 1.791 1.00 0.00 H new ATOM 0 HA PHE A 28 2.360 4.704 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.275 2.717 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.657 2.365 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.392 2.859 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.463 2.114 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.641 2.183 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.713 1.438 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.304 1.464 -1.413 1.00 0.00 H new ATOM 398 N VAL A 29 0.012 5.414 -0.786 1.00 0.00 N ATOM 399 CA VAL A 29 -1.403 5.751 -0.691 1.00 0.00 C ATOM 400 C VAL A 29 -2.173 5.234 -1.901 1.00 0.00 C ATOM 401 O VAL A 29 -1.616 5.086 -2.988 1.00 0.00 O ATOM 402 CB VAL A 29 -1.612 7.273 -0.574 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.646 8.015 -1.485 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.052 7.639 -0.899 1.00 0.00 C ATOM 0 H VAL A 29 0.470 5.752 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.783 5.270 0.210 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.408 7.573 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.808 9.089 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.379 7.776 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.816 7.713 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.182 8.718 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.286 7.327 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.722 7.135 -0.202 1.00 0.00 H new ATOM 414 N VAL A 30 -3.460 4.962 -1.705 1.00 0.00 N ATOM 415 CA VAL A 30 -4.308 4.463 -2.781 1.00 0.00 C ATOM 416 C VAL A 30 -5.748 4.932 -2.607 1.00 0.00 C ATOM 417 O VAL A 30 -6.251 5.022 -1.488 1.00 0.00 O ATOM 418 CB VAL A 30 -4.285 2.925 -2.846 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.959 2.434 -3.407 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.544 2.329 -1.471 1.00 0.00 C ATOM 0 H VAL A 30 -3.938 5.079 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.908 4.864 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.080 2.596 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.961 1.345 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.819 2.832 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.145 2.773 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.524 1.241 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.773 2.665 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.521 2.653 -1.112 1.00 0.00 H new ATOM 430 N GLU A 31 -6.407 5.229 -3.723 1.00 0.00 N ATOM 431 CA GLU A 31 -7.790 5.689 -3.693 1.00 0.00 C ATOM 432 C GLU A 31 -8.751 4.545 -4.003 1.00 0.00 C ATOM 433 O GLU A 31 -8.360 3.530 -4.580 1.00 0.00 O ATOM 434 CB GLU A 31 -7.994 6.826 -4.697 1.00 0.00 C ATOM 435 CG GLU A 31 -9.071 7.816 -4.285 1.00 0.00 C ATOM 436 CD GLU A 31 -9.520 8.701 -5.431 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.650 9.156 -6.204 1.00 0.00 O ATOM 438 OE2 GLU A 31 -10.739 8.940 -5.555 1.00 0.00 O ATOM 0 H GLU A 31 -6.005 5.159 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.002 6.057 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.052 7.359 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.255 6.401 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.930 7.271 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.694 8.440 -3.475 1.00 0.00 H new ATOM 445 N LEU A 32 -10.010 4.716 -3.613 1.00 0.00 N ATOM 446 CA LEU A 32 -11.028 3.697 -3.848 1.00 0.00 C ATOM 447 C LEU A 32 -12.308 4.323 -4.392 1.00 0.00 C ATOM 448 O LEU A 32 -12.793 5.325 -3.868 1.00 0.00 O ATOM 449 CB LEU A 32 -11.327 2.940 -2.553 1.00 0.00 C ATOM 450 CG LEU A 32 -10.112 2.481 -1.747 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.452 2.399 -0.267 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.611 1.137 -2.257 1.00 0.00 C ATOM 0 H LEU A 32 -10.350 5.549 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.644 2.997 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.940 3.578 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.927 2.064 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.317 3.215 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.575 2.071 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.762 3.381 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.263 1.686 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.746 0.825 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.402 0.393 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.326 1.229 -3.305 1.00 0.00 H new ATOM 464 N ALA A 33 -12.851 3.723 -5.447 1.00 0.00 N ATOM 465 CA ALA A 33 -14.077 4.218 -6.059 1.00 0.00 C ATOM 466 C ALA A 33 -15.216 4.269 -5.046 1.00 0.00 C ATOM 467 O ALA A 33 -16.087 5.136 -5.119 1.00 0.00 O ATOM 468 CB ALA A 33 -14.463 3.349 -7.247 1.00 0.00 C ATOM 0 H ALA A 33 -12.461 2.894 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.893 5.233 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.381 3.731 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.663 3.369 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.622 2.324 -6.912 1.00 0.00 H new ATOM 474 N ASP A 34 -15.204 3.333 -4.103 1.00 0.00 N ATOM 475 CA ASP A 34 -16.236 3.272 -3.075 1.00 0.00 C ATOM 476 C ASP A 34 -15.663 2.750 -1.761 1.00 0.00 C ATOM 477 O ASP A 34 -14.797 1.875 -1.736 1.00 0.00 O ATOM 478 CB ASP A 34 -17.390 2.378 -3.533 1.00 0.00 C ATOM 479 CG ASP A 34 -18.189 2.997 -4.662 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.558 4.185 -4.546 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.446 2.295 -5.662 1.00 0.00 O ATOM 0 H ASP A 34 -14.492 2.607 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.612 4.282 -2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.994 1.416 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.051 2.182 -2.689 1.00 0.00 H new ATOM 486 N PRO A 35 -16.156 3.299 -0.640 1.00 0.00 N ATOM 487 CA PRO A 35 -15.707 2.905 0.698 1.00 0.00 C ATOM 488 C PRO A 35 -16.161 1.499 1.071 1.00 0.00 C ATOM 489 O PRO A 35 -15.644 0.897 2.013 1.00 0.00 O ATOM 490 CB PRO A 35 -16.367 3.941 1.613 1.00 0.00 C ATOM 491 CG PRO A 35 -17.568 4.400 0.860 1.00 0.00 C ATOM 492 CD PRO A 35 -17.190 4.347 -0.595 1.00 0.00 C ATOM 0 HA PRO A 35 -14.620 2.881 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.644 3.503 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.692 4.770 1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.425 3.758 1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.850 5.411 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.044 4.096 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.807 5.305 -0.946 1.00 0.00 H new ATOM 500 N LYS A 36 -17.131 0.978 0.327 1.00 0.00 N ATOM 501 CA LYS A 36 -17.655 -0.359 0.578 1.00 0.00 C ATOM 502 C LYS A 36 -16.574 -1.415 0.369 1.00 0.00 C ATOM 503 O LYS A 36 -16.540 -2.430 1.066 1.00 0.00 O ATOM 504 CB LYS A 36 -18.845 -0.644 -0.341 1.00 0.00 C ATOM 505 CG LYS A 36 -20.119 0.072 0.075 1.00 0.00 C ATOM 506 CD LYS A 36 -20.131 1.513 -0.408 1.00 0.00 C ATOM 507 CE LYS A 36 -21.486 2.165 -0.180 1.00 0.00 C ATOM 508 NZ LYS A 36 -21.708 3.319 -1.095 1.00 0.00 N ATOM 0 H LYS A 36 -17.570 1.462 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.986 -0.403 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.587 -0.348 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.031 -1.718 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.983 -0.456 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.212 0.050 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.361 2.080 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.885 1.544 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.274 1.427 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.557 2.503 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.642 3.736 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.971 4.035 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.666 2.993 -2.082 1.00 0.00 H new ATOM 522 N LEU A 37 -15.692 -1.169 -0.594 1.00 0.00 N ATOM 523 CA LEU A 37 -14.608 -2.098 -0.894 1.00 0.00 C ATOM 524 C LEU A 37 -13.610 -2.160 0.258 1.00 0.00 C ATOM 525 O LEU A 37 -13.485 -1.214 1.034 1.00 0.00 O ATOM 526 CB LEU A 37 -13.894 -1.682 -2.181 1.00 0.00 C ATOM 527 CG LEU A 37 -14.752 -1.659 -3.447 1.00 0.00 C ATOM 528 CD1 LEU A 37 -13.988 -1.024 -4.598 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.200 -3.066 -3.813 1.00 0.00 C ATOM 0 H LEU A 37 -15.706 -0.334 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.040 -3.090 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.472 -0.688 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.058 -2.362 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.639 -1.057 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.614 -1.016 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.718 -0.001 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.083 -1.599 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.809 -3.030 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.325 -3.692 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.787 -3.485 -2.996 1.00 0.00 H new ATOM 541 N GLU A 38 -12.900 -3.279 0.359 1.00 0.00 N ATOM 542 CA GLU A 38 -11.911 -3.463 1.415 1.00 0.00 C ATOM 543 C GLU A 38 -10.495 -3.400 0.852 1.00 0.00 C ATOM 544 O GLU A 38 -10.268 -3.692 -0.323 1.00 0.00 O ATOM 545 CB GLU A 38 -12.131 -4.802 2.123 1.00 0.00 C ATOM 546 CG GLU A 38 -11.520 -4.863 3.513 1.00 0.00 C ATOM 547 CD GLU A 38 -11.241 -6.283 3.966 1.00 0.00 C ATOM 548 OE1 GLU A 38 -10.426 -6.965 3.310 1.00 0.00 O ATOM 549 OE2 GLU A 38 -11.838 -6.712 4.975 1.00 0.00 O ATOM 0 H GLU A 38 -12.991 -4.071 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.033 -2.654 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.202 -4.993 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.707 -5.600 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.591 -4.293 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.194 -4.385 4.223 1.00 0.00 H new ATOM 556 N VAL A 39 -9.544 -3.015 1.697 1.00 0.00 N ATOM 557 CA VAL A 39 -8.149 -2.913 1.285 1.00 0.00 C ATOM 558 C VAL A 39 -7.269 -3.867 2.085 1.00 0.00 C ATOM 559 O VAL A 39 -7.525 -4.128 3.260 1.00 0.00 O ATOM 560 CB VAL A 39 -7.617 -1.478 1.453 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.344 -0.526 0.515 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.755 -1.025 2.898 1.00 0.00 C ATOM 0 H VAL A 39 -9.714 -2.768 2.672 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.110 -3.185 0.230 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.559 -1.468 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.955 0.483 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.189 -0.842 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.410 -0.536 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.374 -0.009 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.805 -1.049 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.184 -1.692 3.544 1.00 0.00 H new ATOM 572 N LYS A 40 -6.228 -4.384 1.440 1.00 0.00 N ATOM 573 CA LYS A 40 -5.307 -5.307 2.091 1.00 0.00 C ATOM 574 C LYS A 40 -3.901 -5.171 1.514 1.00 0.00 C ATOM 575 O LYS A 40 -3.699 -5.314 0.308 1.00 0.00 O ATOM 576 CB LYS A 40 -5.797 -6.748 1.930 1.00 0.00 C ATOM 577 CG LYS A 40 -6.921 -7.118 2.883 1.00 0.00 C ATOM 578 CD LYS A 40 -6.419 -7.254 4.311 1.00 0.00 C ATOM 579 CE LYS A 40 -7.561 -7.179 5.313 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.437 -8.381 5.246 1.00 0.00 N ATOM 0 H LYS A 40 -6.002 -4.179 0.467 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.272 -5.057 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.138 -6.895 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.960 -7.428 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.700 -6.357 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.375 -8.057 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.895 -8.203 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.697 -6.465 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.155 -7.081 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.155 -6.286 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.794 -8.604 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.238 -8.192 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.891 -9.189 4.883 1.00 0.00 H new ATOM 594 N TRP A 41 -2.935 -4.895 2.382 1.00 0.00 N ATOM 595 CA TRP A 41 -1.548 -4.740 1.958 1.00 0.00 C ATOM 596 C TRP A 41 -0.773 -6.039 2.148 1.00 0.00 C ATOM 597 O TRP A 41 -0.781 -6.625 3.231 1.00 0.00 O ATOM 598 CB TRP A 41 -0.876 -3.611 2.741 1.00 0.00 C ATOM 599 CG TRP A 41 -1.518 -2.274 2.524 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.694 -1.834 3.059 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.019 -1.206 1.712 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.957 -0.555 2.629 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.944 -0.147 1.803 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.120 -1.039 0.920 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.764 1.058 1.129 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.297 0.158 0.252 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.640 1.194 0.360 1.00 0.00 C ATOM 0 H TRP A 41 -3.086 -4.774 3.383 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.544 -4.488 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.902 -3.850 3.804 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.174 -3.553 2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.325 -2.406 3.723 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.774 -0.000 2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.849 -1.831 0.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.486 1.857 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.173 0.297 -0.364 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.472 2.118 -0.174 1.00 0.00 H new ATOM 618 N TYR A 42 -0.103 -6.484 1.091 1.00 0.00 N ATOM 619 CA TYR A 42 0.676 -7.716 1.142 1.00 0.00 C ATOM 620 C TYR A 42 2.117 -7.468 0.705 1.00 0.00 C ATOM 621 O TYR A 42 2.378 -6.658 -0.185 1.00 0.00 O ATOM 622 CB TYR A 42 0.039 -8.784 0.252 1.00 0.00 C ATOM 623 CG TYR A 42 -1.353 -9.184 0.688 1.00 0.00 C ATOM 624 CD1 TYR A 42 -1.546 -10.199 1.618 1.00 0.00 C ATOM 625 CD2 TYR A 42 -2.474 -8.549 0.170 1.00 0.00 C ATOM 626 CE1 TYR A 42 -2.815 -10.568 2.019 1.00 0.00 C ATOM 627 CE2 TYR A 42 -3.747 -8.911 0.566 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.912 -9.921 1.491 1.00 0.00 C ATOM 629 OH TYR A 42 -5.179 -10.285 1.887 1.00 0.00 O ATOM 0 H TYR A 42 -0.083 -6.010 0.188 1.00 0.00 H new ATOM 0 HA TYR A 42 0.683 -8.069 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.002 -8.414 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.677 -9.668 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.689 -10.708 2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.348 -7.758 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.947 -11.359 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.608 -8.406 0.154 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.839 -9.730 1.421 1.00 0.00 H new ATOM 639 N LYS A 43 3.049 -8.171 1.339 1.00 0.00 N ATOM 640 CA LYS A 43 4.464 -8.031 1.017 1.00 0.00 C ATOM 641 C LYS A 43 5.100 -9.392 0.754 1.00 0.00 C ATOM 642 O LYS A 43 5.274 -10.193 1.671 1.00 0.00 O ATOM 643 CB LYS A 43 5.200 -7.324 2.158 1.00 0.00 C ATOM 644 CG LYS A 43 6.696 -7.192 1.927 1.00 0.00 C ATOM 645 CD LYS A 43 7.408 -6.678 3.167 1.00 0.00 C ATOM 646 CE LYS A 43 8.916 -6.835 3.049 1.00 0.00 C ATOM 647 NZ LYS A 43 9.357 -8.219 3.375 1.00 0.00 N ATOM 0 H LYS A 43 2.850 -8.844 2.079 1.00 0.00 H new ATOM 0 HA LYS A 43 4.547 -7.430 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.773 -6.331 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.031 -7.874 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.108 -8.161 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.878 -6.513 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.161 -5.627 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.052 -7.220 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.229 -6.583 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.408 -6.130 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.346 -8.202 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.755 -8.607 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.279 -8.817 2.528 1.00 0.00 H new ATOM 661 N ASN A 44 5.445 -9.646 -0.504 1.00 0.00 N ATOM 662 CA ASN A 44 6.063 -10.910 -0.887 1.00 0.00 C ATOM 663 C ASN A 44 5.116 -12.078 -0.628 1.00 0.00 C ATOM 664 O ASN A 44 5.546 -13.170 -0.257 1.00 0.00 O ATOM 665 CB ASN A 44 7.369 -11.118 -0.117 1.00 0.00 C ATOM 666 CG ASN A 44 8.424 -10.092 -0.482 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.837 -9.286 0.351 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.866 -10.118 -1.734 1.00 0.00 N ATOM 0 H ASN A 44 5.307 -8.993 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 44 6.281 -10.871 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.169 -11.065 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.752 -12.118 -0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.576 -9.452 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.495 -10.804 -2.392 1.00 0.00 H new ATOM 675 N GLY A 45 3.823 -11.841 -0.827 1.00 0.00 N ATOM 676 CA GLY A 45 2.835 -12.882 -0.611 1.00 0.00 C ATOM 677 C GLY A 45 2.561 -13.125 0.860 1.00 0.00 C ATOM 678 O GLY A 45 2.351 -14.263 1.278 1.00 0.00 O ATOM 0 H GLY A 45 3.442 -10.946 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.906 -12.606 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.181 -13.808 -1.071 1.00 0.00 H new ATOM 682 N GLN A 46 2.566 -12.053 1.646 1.00 0.00 N ATOM 683 CA GLN A 46 2.318 -12.157 3.080 1.00 0.00 C ATOM 684 C GLN A 46 1.549 -10.942 3.588 1.00 0.00 C ATOM 685 O GLN A 46 1.796 -9.816 3.160 1.00 0.00 O ATOM 686 CB GLN A 46 3.640 -12.292 3.838 1.00 0.00 C ATOM 687 CG GLN A 46 4.255 -13.679 3.745 1.00 0.00 C ATOM 688 CD GLN A 46 5.685 -13.718 4.247 1.00 0.00 C ATOM 689 OE1 GLN A 46 6.017 -14.485 5.151 1.00 0.00 O ATOM 690 NE2 GLN A 46 6.541 -12.889 3.661 1.00 0.00 N ATOM 0 H GLN A 46 2.739 -11.104 1.315 1.00 0.00 H new ATOM 0 HA GLN A 46 1.713 -13.047 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.349 -11.562 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.475 -12.046 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.652 -14.379 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.228 -14.015 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.222 -12.270 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.517 -12.871 3.957 1.00 0.00 H new ATOM 699 N GLU A 47 0.615 -11.180 4.504 1.00 0.00 N ATOM 700 CA GLU A 47 -0.191 -10.105 5.070 1.00 0.00 C ATOM 701 C GLU A 47 0.658 -9.194 5.950 1.00 0.00 C ATOM 702 O GLU A 47 1.479 -9.664 6.739 1.00 0.00 O ATOM 703 CB GLU A 47 -1.352 -10.681 5.883 1.00 0.00 C ATOM 704 CG GLU A 47 -2.568 -9.772 5.937 1.00 0.00 C ATOM 705 CD GLU A 47 -3.852 -10.531 6.208 1.00 0.00 C ATOM 706 OE1 GLU A 47 -4.184 -11.439 5.418 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.526 -10.216 7.212 1.00 0.00 O ATOM 0 H GLU A 47 0.398 -12.107 4.869 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.592 -9.514 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.644 -11.639 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.010 -10.877 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.422 -9.022 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.659 -9.237 4.992 1.00 0.00 H new ATOM 714 N ILE A 48 0.456 -7.888 5.810 1.00 0.00 N ATOM 715 CA ILE A 48 1.202 -6.911 6.592 1.00 0.00 C ATOM 716 C ILE A 48 0.415 -6.475 7.823 1.00 0.00 C ATOM 717 O ILE A 48 -0.762 -6.127 7.729 1.00 0.00 O ATOM 718 CB ILE A 48 1.552 -5.667 5.754 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.371 -6.067 4.525 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.314 -4.656 6.598 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.367 -5.023 3.430 1.00 0.00 C ATOM 0 H ILE A 48 -0.219 -7.482 5.162 1.00 0.00 H new ATOM 0 HA ILE A 48 2.125 -7.398 6.907 1.00 0.00 H new ATOM 0 HB ILE A 48 0.625 -5.203 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.400 -6.258 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.979 -7.002 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.554 -3.783 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.699 -4.352 7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.236 -5.108 6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.967 -5.374 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.344 -4.849 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.787 -4.093 3.813 1.00 0.00 H new ATOM 733 N ARG A 49 1.073 -6.496 8.978 1.00 0.00 N ATOM 734 CA ARG A 49 0.435 -6.102 10.228 1.00 0.00 C ATOM 735 C ARG A 49 0.900 -4.716 10.663 1.00 0.00 C ATOM 736 O ARG A 49 2.056 -4.335 10.478 1.00 0.00 O ATOM 737 CB ARG A 49 0.743 -7.123 11.326 1.00 0.00 C ATOM 738 CG ARG A 49 -0.153 -8.349 11.286 1.00 0.00 C ATOM 739 CD ARG A 49 -0.178 -9.065 12.628 1.00 0.00 C ATOM 740 NE ARG A 49 -1.009 -10.265 12.592 1.00 0.00 N ATOM 741 CZ ARG A 49 -1.351 -10.955 13.675 1.00 0.00 C ATOM 742 NH1 ARG A 49 -0.936 -10.564 14.872 1.00 0.00 N ATOM 743 NH2 ARG A 49 -2.110 -12.037 13.562 1.00 0.00 N ATOM 0 H ARG A 49 2.047 -6.782 9.074 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.642 -6.069 10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.782 -7.440 11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.641 -6.640 12.298 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.165 -8.052 11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.199 -9.033 10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.838 -9.336 12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.554 -8.387 13.394 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.345 -10.592 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.353 -9.732 14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.200 -11.095 15.702 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.432 -12.340 12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.372 -12.566 14.394 1.00 0.00 H new ATOM 757 N PRO A 50 -0.022 -3.941 11.254 1.00 0.00 N ATOM 758 CA PRO A 50 0.270 -2.584 11.727 1.00 0.00 C ATOM 759 C PRO A 50 1.194 -2.580 12.940 1.00 0.00 C ATOM 760 O PRO A 50 0.916 -3.231 13.947 1.00 0.00 O ATOM 761 CB PRO A 50 -1.109 -2.036 12.103 1.00 0.00 C ATOM 762 CG PRO A 50 -1.925 -3.243 12.415 1.00 0.00 C ATOM 763 CD PRO A 50 -1.420 -4.330 11.507 1.00 0.00 C ATOM 0 HA PRO A 50 0.788 -1.991 10.973 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.048 -1.367 12.961 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.545 -1.465 11.283 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.817 -3.527 13.462 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.985 -3.053 12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.485 -5.310 11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.996 -4.382 10.583 1.00 0.00 H new ATOM 771 N SER A 51 2.294 -1.841 12.837 1.00 0.00 N ATOM 772 CA SER A 51 3.261 -1.754 13.925 1.00 0.00 C ATOM 773 C SER A 51 4.054 -0.453 13.845 1.00 0.00 C ATOM 774 O SER A 51 3.859 0.352 12.934 1.00 0.00 O ATOM 775 CB SER A 51 4.216 -2.949 13.883 1.00 0.00 C ATOM 776 OG SER A 51 4.804 -3.176 15.152 1.00 0.00 O ATOM 0 H SER A 51 2.538 -1.294 12.011 1.00 0.00 H new ATOM 0 HA SER A 51 2.713 -1.768 14.867 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.675 -3.840 13.565 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.997 -2.769 13.144 1.00 0.00 H new ATOM 0 HG SER A 51 5.409 -3.946 15.099 1.00 0.00 H new ATOM 782 N THR A 52 4.949 -0.252 14.808 1.00 0.00 N ATOM 783 CA THR A 52 5.770 0.951 14.849 1.00 0.00 C ATOM 784 C THR A 52 6.428 1.214 13.499 1.00 0.00 C ATOM 785 O THR A 52 6.875 2.327 13.221 1.00 0.00 O ATOM 786 CB THR A 52 6.864 0.848 15.929 1.00 0.00 C ATOM 787 OG1 THR A 52 7.800 1.921 15.781 1.00 0.00 O ATOM 788 CG2 THR A 52 7.592 -0.485 15.836 1.00 0.00 C ATOM 0 H THR A 52 5.123 -0.908 15.570 1.00 0.00 H new ATOM 0 HA THR A 52 5.105 1.779 15.094 1.00 0.00 H new ATOM 0 HB THR A 52 6.387 0.915 16.907 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.491 1.850 16.472 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.360 -0.535 16.608 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.881 -1.299 15.978 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.058 -0.578 14.855 1.00 0.00 H new ATOM 796 N LYS A 53 6.484 0.183 12.663 1.00 0.00 N ATOM 797 CA LYS A 53 7.085 0.302 11.340 1.00 0.00 C ATOM 798 C LYS A 53 6.036 0.670 10.296 1.00 0.00 C ATOM 799 O LYS A 53 6.280 1.502 9.422 1.00 0.00 O ATOM 800 CB LYS A 53 7.771 -1.009 10.949 1.00 0.00 C ATOM 801 CG LYS A 53 8.634 -0.896 9.704 1.00 0.00 C ATOM 802 CD LYS A 53 9.413 -2.175 9.448 1.00 0.00 C ATOM 803 CE LYS A 53 8.555 -3.222 8.754 1.00 0.00 C ATOM 804 NZ LYS A 53 9.154 -4.582 8.849 1.00 0.00 N ATOM 0 H LYS A 53 6.120 -0.745 12.878 1.00 0.00 H new ATOM 0 HA LYS A 53 7.829 1.098 11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.390 -1.348 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.011 -1.773 10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.004 -0.674 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.328 -0.063 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.286 -1.954 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.781 -2.573 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.561 -3.231 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.431 -2.952 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.803 -5.171 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.190 -4.510 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.888 -5.016 9.756 1.00 0.00 H new ATOM 818 N TYR A 54 4.867 0.045 10.393 1.00 0.00 N ATOM 819 CA TYR A 54 3.781 0.307 9.457 1.00 0.00 C ATOM 820 C TYR A 54 2.746 1.244 10.071 1.00 0.00 C ATOM 821 O TYR A 54 2.064 0.889 11.033 1.00 0.00 O ATOM 822 CB TYR A 54 3.113 -1.005 9.039 1.00 0.00 C ATOM 823 CG TYR A 54 4.075 -2.015 8.455 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.557 -1.876 7.159 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.501 -3.108 9.199 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.436 -2.796 6.621 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.380 -4.033 8.669 1.00 0.00 C ATOM 828 CZ TYR A 54 5.844 -3.873 7.380 1.00 0.00 C ATOM 829 OH TYR A 54 6.719 -4.793 6.849 1.00 0.00 O ATOM 0 H TYR A 54 4.648 -0.646 11.110 1.00 0.00 H new ATOM 0 HA TYR A 54 4.203 0.790 8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.620 -1.444 9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.336 -0.790 8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.239 -1.034 6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.139 -3.237 10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.801 -2.673 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.702 -4.877 9.261 1.00 0.00 H new ATOM 0 HH TYR A 54 6.906 -5.488 7.514 1.00 0.00 H new ATOM 839 N ILE A 55 2.634 2.442 9.507 1.00 0.00 N ATOM 840 CA ILE A 55 1.682 3.431 9.997 1.00 0.00 C ATOM 841 C ILE A 55 0.496 3.569 9.048 1.00 0.00 C ATOM 842 O ILE A 55 0.590 4.228 8.012 1.00 0.00 O ATOM 843 CB ILE A 55 2.344 4.809 10.178 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.373 4.761 11.309 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.290 5.871 10.458 1.00 0.00 C ATOM 846 CD1 ILE A 55 4.278 3.551 11.251 1.00 0.00 C ATOM 0 H ILE A 55 3.191 2.751 8.710 1.00 0.00 H new ATOM 0 HA ILE A 55 1.330 3.077 10.966 1.00 0.00 H new ATOM 0 HB ILE A 55 2.860 5.071 9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.983 5.663 11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.850 4.768 12.265 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.774 6.840 10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.592 5.920 9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.749 5.615 11.369 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.982 3.583 12.083 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.677 2.644 11.318 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.828 3.553 10.310 1.00 0.00 H new ATOM 858 N PHE A 56 -0.620 2.945 9.410 1.00 0.00 N ATOM 859 CA PHE A 56 -1.826 2.999 8.591 1.00 0.00 C ATOM 860 C PHE A 56 -2.670 4.219 8.946 1.00 0.00 C ATOM 861 O PHE A 56 -2.919 4.494 10.119 1.00 0.00 O ATOM 862 CB PHE A 56 -2.650 1.723 8.775 1.00 0.00 C ATOM 863 CG PHE A 56 -1.976 0.491 8.243 1.00 0.00 C ATOM 864 CD1 PHE A 56 -0.880 -0.051 8.894 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.438 -0.125 7.092 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.257 -1.185 8.408 1.00 0.00 C ATOM 867 CE2 PHE A 56 -1.820 -1.259 6.600 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.727 -1.789 7.258 1.00 0.00 C ATOM 0 H PHE A 56 -0.715 2.396 10.265 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.523 3.080 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.858 1.584 9.836 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.611 1.846 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.508 0.418 9.793 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.291 0.286 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.596 -1.598 8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.191 -1.730 5.702 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.241 -2.674 6.874 1.00 0.00 H new ATOM 878 N GLU A 57 -3.105 4.948 7.923 1.00 0.00 N ATOM 879 CA GLU A 57 -3.920 6.140 8.126 1.00 0.00 C ATOM 880 C GLU A 57 -5.182 6.089 7.270 1.00 0.00 C ATOM 881 O GLU A 57 -5.111 6.031 6.042 1.00 0.00 O ATOM 882 CB GLU A 57 -3.115 7.398 7.794 1.00 0.00 C ATOM 883 CG GLU A 57 -1.865 7.563 8.642 1.00 0.00 C ATOM 884 CD GLU A 57 -2.140 8.268 9.956 1.00 0.00 C ATOM 885 OE1 GLU A 57 -2.819 7.673 10.818 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.677 9.416 10.121 1.00 0.00 O ATOM 0 H GLU A 57 -2.907 4.734 6.946 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.215 6.173 9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.829 7.369 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.752 8.272 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.435 6.582 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.121 8.128 8.080 1.00 0.00 H new ATOM 940 N CYS A 61 -12.207 8.014 1.838 1.00 0.00 N ATOM 941 CA CYS A 61 -12.078 7.024 0.775 1.00 0.00 C ATOM 942 C CYS A 61 -10.630 6.911 0.310 1.00 0.00 C ATOM 943 O CYS A 61 -10.360 6.765 -0.882 1.00 0.00 O ATOM 944 CB CYS A 61 -12.977 7.394 -0.406 1.00 0.00 C ATOM 945 SG CYS A 61 -14.655 7.874 0.066 1.00 0.00 S ATOM 0 HA CYS A 61 -12.390 6.058 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.517 8.215 -0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.032 6.545 -1.087 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.665 8.252 1.310 1.00 0.00 H new ATOM 951 N GLN A 62 -9.702 6.981 1.260 1.00 0.00 N ATOM 952 CA GLN A 62 -8.281 6.889 0.947 1.00 0.00 C ATOM 953 C GLN A 62 -7.552 6.031 1.976 1.00 0.00 C ATOM 954 O GLN A 62 -7.876 6.058 3.163 1.00 0.00 O ATOM 955 CB GLN A 62 -7.657 8.284 0.895 1.00 0.00 C ATOM 956 CG GLN A 62 -6.162 8.272 0.621 1.00 0.00 C ATOM 957 CD GLN A 62 -5.548 9.658 0.672 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.852 10.075 -0.254 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.804 10.379 1.757 1.00 0.00 N ATOM 0 H GLN A 62 -9.909 7.101 2.252 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.180 6.417 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.155 8.867 0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.840 8.790 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.668 7.633 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.980 7.834 -0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.386 9.993 2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.418 11.319 1.847 1.00 0.00 H new ATOM 968 N ARG A 63 -6.566 5.270 1.512 1.00 0.00 N ATOM 969 CA ARG A 63 -5.791 4.403 2.392 1.00 0.00 C ATOM 970 C ARG A 63 -4.296 4.657 2.228 1.00 0.00 C ATOM 971 O ARG A 63 -3.720 4.373 1.177 1.00 0.00 O ATOM 972 CB ARG A 63 -6.105 2.934 2.100 1.00 0.00 C ATOM 973 CG ARG A 63 -7.541 2.545 2.410 1.00 0.00 C ATOM 974 CD ARG A 63 -7.802 2.523 3.908 1.00 0.00 C ATOM 975 NE ARG A 63 -9.151 2.058 4.221 1.00 0.00 N ATOM 976 CZ ARG A 63 -10.242 2.794 4.043 1.00 0.00 C ATOM 977 NH1 ARG A 63 -10.144 4.023 3.556 1.00 0.00 N ATOM 978 NH2 ARG A 63 -11.434 2.301 4.353 1.00 0.00 N ATOM 0 H ARG A 63 -6.285 5.236 0.532 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.069 4.630 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.901 2.730 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.433 2.305 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.221 3.250 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.752 1.562 1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.073 1.874 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.660 3.524 4.316 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.261 1.116 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.229 4.405 3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.983 4.586 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.513 1.356 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.271 2.867 4.216 1.00 0.00 H new ATOM 992 N ILE A 64 -3.674 5.195 3.272 1.00 0.00 N ATOM 993 CA ILE A 64 -2.247 5.487 3.243 1.00 0.00 C ATOM 994 C ILE A 64 -1.465 4.495 4.098 1.00 0.00 C ATOM 995 O ILE A 64 -1.985 3.958 5.077 1.00 0.00 O ATOM 996 CB ILE A 64 -1.954 6.916 3.738 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.965 7.901 3.146 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.534 7.322 3.373 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.201 8.083 3.999 1.00 0.00 C ATOM 0 H ILE A 64 -4.136 5.437 4.148 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.928 5.398 2.204 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.049 6.936 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.481 8.868 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.264 7.553 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.342 8.334 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.172 6.634 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.413 7.290 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.873 8.794 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.708 7.125 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.914 8.461 4.980 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.213 4.257 3.723 1.00 0.00 N ATOM 1012 CA LEU A 65 0.642 3.331 4.457 1.00 0.00 C ATOM 1013 C LEU A 65 2.096 3.791 4.425 1.00 0.00 C ATOM 1014 O LEU A 65 2.648 4.065 3.359 1.00 0.00 O ATOM 1015 CB LEU A 65 0.527 1.924 3.868 1.00 0.00 C ATOM 1016 CG LEU A 65 1.372 0.843 4.542 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.853 1.107 4.320 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.058 0.771 6.030 1.00 0.00 C ATOM 0 H LEU A 65 0.232 4.692 2.915 1.00 0.00 H new ATOM 0 HA LEU A 65 0.309 3.312 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.518 1.619 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.804 1.969 2.815 1.00 0.00 H new ATOM 0 HG LEU A 65 1.124 -0.118 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.439 0.327 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.066 1.107 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.117 2.076 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.669 -0.004 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.277 1.732 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.003 0.533 6.168 1.00 0.00 H new ATOM 1030 N PHE A 66 2.712 3.871 5.600 1.00 0.00 N ATOM 1031 CA PHE A 66 4.103 4.297 5.706 1.00 0.00 C ATOM 1032 C PHE A 66 4.961 3.200 6.331 1.00 0.00 C ATOM 1033 O PHE A 66 4.543 2.535 7.279 1.00 0.00 O ATOM 1034 CB PHE A 66 4.205 5.576 6.540 1.00 0.00 C ATOM 1035 CG PHE A 66 3.452 6.735 5.952 1.00 0.00 C ATOM 1036 CD1 PHE A 66 2.102 6.905 6.212 1.00 0.00 C ATOM 1037 CD2 PHE A 66 4.095 7.655 5.140 1.00 0.00 C ATOM 1038 CE1 PHE A 66 1.406 7.972 5.674 1.00 0.00 C ATOM 1039 CE2 PHE A 66 3.405 8.724 4.599 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.059 8.881 4.865 1.00 0.00 C ATOM 0 H PHE A 66 2.270 3.647 6.492 1.00 0.00 H new ATOM 0 HA PHE A 66 4.474 4.496 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.826 5.378 7.543 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.255 5.850 6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.587 6.196 6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.147 7.536 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.354 8.094 5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.918 9.436 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.518 9.714 4.441 1.00 0.00 H new ATOM 1050 N ILE A 67 6.161 3.017 5.791 1.00 0.00 N ATOM 1051 CA ILE A 67 7.077 2.002 6.294 1.00 0.00 C ATOM 1052 C ILE A 67 8.382 2.628 6.775 1.00 0.00 C ATOM 1053 O ILE A 67 9.245 2.982 5.972 1.00 0.00 O ATOM 1054 CB ILE A 67 7.394 0.945 5.219 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.100 0.338 4.673 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.294 -0.139 5.791 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.262 -0.309 3.316 1.00 0.00 C ATOM 0 H ILE A 67 6.521 3.559 5.005 1.00 0.00 H new ATOM 0 HA ILE A 67 6.578 1.517 7.133 1.00 0.00 H new ATOM 0 HB ILE A 67 7.921 1.430 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.731 -0.406 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.342 1.118 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.509 -0.878 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.227 0.307 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.792 -0.624 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.305 -0.718 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.602 0.436 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.996 -1.112 3.381 1.00 0.00 H new ATOM 1069 N ASN A 68 8.519 2.761 8.090 1.00 0.00 N ATOM 1070 CA ASN A 68 9.720 3.345 8.678 1.00 0.00 C ATOM 1071 C ASN A 68 10.872 2.344 8.668 1.00 0.00 C ATOM 1072 O ASN A 68 10.657 1.137 8.571 1.00 0.00 O ATOM 1073 CB ASN A 68 9.440 3.803 10.111 1.00 0.00 C ATOM 1074 CG ASN A 68 8.413 4.917 10.171 1.00 0.00 C ATOM 1075 OD1 ASN A 68 8.690 6.053 9.788 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.219 4.595 10.655 1.00 0.00 N ATOM 0 H ASN A 68 7.814 2.473 8.769 1.00 0.00 H new ATOM 0 HA ASN A 68 10.006 4.208 8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.087 2.955 10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.369 4.144 10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.487 5.303 10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.033 3.640 10.961 1.00 0.00 H new ATOM 1083 N ASN A 69 12.094 2.856 8.770 1.00 0.00 N ATOM 1084 CA ASN A 69 13.280 2.008 8.773 1.00 0.00 C ATOM 1085 C ASN A 69 13.438 1.288 7.437 1.00 0.00 C ATOM 1086 O ASN A 69 13.590 0.067 7.392 1.00 0.00 O ATOM 1087 CB ASN A 69 13.199 0.986 9.909 1.00 0.00 C ATOM 1088 CG ASN A 69 14.442 0.121 9.998 1.00 0.00 C ATOM 1089 OD1 ASN A 69 15.551 0.578 9.722 1.00 0.00 O ATOM 1090 ND2 ASN A 69 14.261 -1.136 10.386 1.00 0.00 N ATOM 0 H ASN A 69 12.289 3.854 8.852 1.00 0.00 H new ATOM 0 HA ASN A 69 14.151 2.645 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.055 1.509 10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.327 0.350 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.060 -1.765 10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.323 -1.472 10.605 1.00 0.00 H new ATOM 1097 N CYS A 70 13.400 2.053 6.351 1.00 0.00 N ATOM 1098 CA CYS A 70 13.539 1.489 5.013 1.00 0.00 C ATOM 1099 C CYS A 70 14.983 1.080 4.742 1.00 0.00 C ATOM 1100 O CYS A 70 15.817 1.912 4.387 1.00 0.00 O ATOM 1101 CB CYS A 70 13.076 2.499 3.961 1.00 0.00 C ATOM 1102 SG CYS A 70 11.342 2.986 4.118 1.00 0.00 S ATOM 0 H CYS A 70 13.274 3.065 6.371 1.00 0.00 H new ATOM 0 HA CYS A 70 12.912 0.599 4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.700 3.390 4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.234 2.074 2.970 1.00 0.00 H new ATOM 0 HG CYS A 70 10.939 2.771 5.335 1.00 0.00 H new ATOM 1108 N GLN A 71 15.270 -0.206 4.915 1.00 0.00 N ATOM 1109 CA GLN A 71 16.614 -0.725 4.691 1.00 0.00 C ATOM 1110 C GLN A 71 16.706 -1.436 3.345 1.00 0.00 C ATOM 1111 O GLN A 71 15.694 -1.844 2.777 1.00 0.00 O ATOM 1112 CB GLN A 71 17.008 -1.684 5.816 1.00 0.00 C ATOM 1113 CG GLN A 71 18.417 -2.237 5.679 1.00 0.00 C ATOM 1114 CD GLN A 71 19.476 -1.153 5.726 1.00 0.00 C ATOM 1115 OE1 GLN A 71 20.308 -1.043 4.824 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.452 -0.347 6.780 1.00 0.00 N ATOM 0 H GLN A 71 14.590 -0.907 5.209 1.00 0.00 H new ATOM 0 HA GLN A 71 17.305 0.118 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.921 -1.166 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.302 -2.514 5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.601 -2.954 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.500 -2.780 4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.745 -0.475 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.141 0.400 6.866 1.00 0.00 H new ATOM 1168 N ASP A 75 13.567 -3.223 0.324 1.00 0.00 N ATOM 1169 CA ASP A 75 13.200 -3.196 -1.087 1.00 0.00 C ATOM 1170 C ASP A 75 12.500 -4.489 -1.492 1.00 0.00 C ATOM 1171 O ASP A 75 13.149 -5.473 -1.848 1.00 0.00 O ATOM 1172 CB ASP A 75 14.441 -2.979 -1.955 1.00 0.00 C ATOM 1173 CG ASP A 75 14.314 -3.629 -3.319 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.181 -3.696 -3.840 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.346 -4.071 -3.864 1.00 0.00 O ATOM 0 HA ASP A 75 12.509 -2.367 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.611 -1.910 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.314 -3.383 -1.443 1.00 0.00 H new ATOM 1180 N SER A 76 11.172 -4.481 -1.433 1.00 0.00 N ATOM 1181 CA SER A 76 10.384 -5.655 -1.789 1.00 0.00 C ATOM 1182 C SER A 76 9.181 -5.264 -2.643 1.00 0.00 C ATOM 1183 O SER A 76 8.894 -4.081 -2.823 1.00 0.00 O ATOM 1184 CB SER A 76 9.913 -6.381 -0.527 1.00 0.00 C ATOM 1185 OG SER A 76 10.977 -7.099 0.074 1.00 0.00 O ATOM 0 H SER A 76 10.619 -3.675 -1.142 1.00 0.00 H new ATOM 0 HA SER A 76 11.018 -6.325 -2.370 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.510 -5.659 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.104 -7.066 -0.778 1.00 0.00 H new ATOM 0 HG SER A 76 10.665 -7.991 0.333 1.00 0.00 H new ATOM 1191 N GLU A 77 8.483 -6.267 -3.165 1.00 0.00 N ATOM 1192 CA GLU A 77 7.312 -6.028 -4.000 1.00 0.00 C ATOM 1193 C GLU A 77 6.052 -5.900 -3.148 1.00 0.00 C ATOM 1194 O GLU A 77 5.789 -6.735 -2.282 1.00 0.00 O ATOM 1195 CB GLU A 77 7.141 -7.161 -5.015 1.00 0.00 C ATOM 1196 CG GLU A 77 6.412 -8.372 -4.458 1.00 0.00 C ATOM 1197 CD GLU A 77 6.842 -9.667 -5.119 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.802 -10.295 -4.628 1.00 0.00 O ATOM 1199 OE2 GLU A 77 6.216 -10.053 -6.129 1.00 0.00 O ATOM 0 H GLU A 77 8.708 -7.252 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 77 7.465 -5.091 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.594 -6.784 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.124 -7.471 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.593 -8.439 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.339 -8.239 -4.593 1.00 0.00 H new ATOM 1206 N TYR A 78 5.279 -4.850 -3.400 1.00 0.00 N ATOM 1207 CA TYR A 78 4.049 -4.610 -2.654 1.00 0.00 C ATOM 1208 C TYR A 78 2.840 -4.604 -3.585 1.00 0.00 C ATOM 1209 O TYR A 78 2.915 -4.121 -4.715 1.00 0.00 O ATOM 1210 CB TYR A 78 4.135 -3.281 -1.902 1.00 0.00 C ATOM 1211 CG TYR A 78 5.310 -3.196 -0.955 1.00 0.00 C ATOM 1212 CD1 TYR A 78 5.195 -3.613 0.365 1.00 0.00 C ATOM 1213 CD2 TYR A 78 6.536 -2.698 -1.380 1.00 0.00 C ATOM 1214 CE1 TYR A 78 6.266 -3.536 1.234 1.00 0.00 C ATOM 1215 CE2 TYR A 78 7.612 -2.619 -0.518 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.473 -3.039 0.788 1.00 0.00 C ATOM 1217 OH TYR A 78 8.542 -2.962 1.650 1.00 0.00 O ATOM 0 H TYR A 78 5.482 -4.151 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 78 3.926 -5.419 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.202 -2.468 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.214 -3.132 -1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.252 -4.004 0.718 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.649 -2.367 -2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.159 -3.863 2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.558 -2.230 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 78 9.317 -2.591 1.178 1.00 0.00 H new ATOM 1227 N TYR A 79 1.727 -5.144 -3.101 1.00 0.00 N ATOM 1228 CA TYR A 79 0.502 -5.203 -3.889 1.00 0.00 C ATOM 1229 C TYR A 79 -0.728 -5.162 -2.987 1.00 0.00 C ATOM 1230 O TYR A 79 -0.824 -5.908 -2.013 1.00 0.00 O ATOM 1231 CB TYR A 79 0.480 -6.472 -4.742 1.00 0.00 C ATOM 1232 CG TYR A 79 0.172 -7.726 -3.955 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.180 -8.426 -3.303 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -1.127 -8.210 -3.862 1.00 0.00 C ATOM 1235 CE1 TYR A 79 0.903 -9.572 -2.583 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.414 -9.354 -3.143 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.395 -10.032 -2.506 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.675 -11.172 -1.789 1.00 0.00 O ATOM 0 H TYR A 79 1.648 -5.547 -2.167 1.00 0.00 H new ATOM 0 HA TYR A 79 0.479 -4.332 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.263 -6.357 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.448 -6.588 -5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.197 -8.068 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.927 -7.682 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.698 -10.105 -2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.430 -9.716 -3.080 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.007 -10.926 -0.900 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.668 -4.283 -3.320 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.894 -4.143 -2.543 1.00 0.00 C ATOM 1250 C VAL A 80 -4.102 -4.645 -3.326 1.00 0.00 C ATOM 1251 O VAL A 80 -4.170 -4.495 -4.547 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.135 -2.679 -2.132 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.252 -1.791 -3.362 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.378 -2.567 -1.263 1.00 0.00 C ATOM 0 H VAL A 80 -1.604 -3.657 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.769 -4.748 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.280 -2.339 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.422 -0.760 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.330 -1.848 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.088 -2.128 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.533 -1.525 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.244 -2.925 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.249 -3.170 -0.364 1.00 0.00 H new ATOM 1264 N THR A 81 -5.055 -5.241 -2.617 1.00 0.00 N ATOM 1265 CA THR A 81 -6.261 -5.766 -3.245 1.00 0.00 C ATOM 1266 C THR A 81 -7.496 -4.997 -2.791 1.00 0.00 C ATOM 1267 O THR A 81 -7.581 -4.563 -1.643 1.00 0.00 O ATOM 1268 CB THR A 81 -6.454 -7.261 -2.929 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.687 -7.438 -1.527 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.235 -8.066 -3.351 1.00 0.00 C ATOM 0 H THR A 81 -5.015 -5.372 -1.606 1.00 0.00 H new ATOM 0 HA THR A 81 -6.136 -5.644 -4.321 1.00 0.00 H new ATOM 0 HB THR A 81 -7.317 -7.620 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.811 -8.391 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.395 -9.119 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.077 -7.952 -4.423 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.357 -7.705 -2.815 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.453 -4.834 -3.699 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.686 -4.120 -3.390 1.00 0.00 C ATOM 1280 C ALA A 82 -10.799 -4.501 -4.360 1.00 0.00 C ATOM 1281 O ALA A 82 -10.777 -4.114 -5.528 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.447 -2.617 -3.421 1.00 0.00 C ATOM 0 H ALA A 82 -8.398 -5.187 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.001 -4.406 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.376 -2.096 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.689 -2.354 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.105 -2.323 -4.413 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.771 -5.263 -3.869 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.879 -5.684 -4.707 1.00 0.00 C ATOM 1290 C GLY A 83 -12.467 -6.719 -5.734 1.00 0.00 C ATOM 1291 O GLY A 83 -11.969 -7.789 -5.382 1.00 0.00 O ATOM 0 H GLY A 83 -11.811 -5.597 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.670 -6.094 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.295 -4.815 -5.217 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.678 -6.403 -7.007 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.326 -7.315 -8.090 1.00 0.00 C ATOM 1297 C ASP A 84 -11.119 -6.796 -8.866 1.00 0.00 C ATOM 1298 O ASP A 84 -10.985 -7.050 -10.063 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.514 -7.502 -9.034 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.704 -8.143 -8.347 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.489 -8.968 -7.435 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.851 -7.820 -8.722 1.00 0.00 O ATOM 0 H ASP A 84 -13.091 -5.523 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.066 -8.278 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.809 -6.534 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.209 -8.120 -9.879 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.246 -6.069 -8.177 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.053 -5.513 -8.804 1.00 0.00 C ATOM 1309 C GLU A 85 -7.875 -5.520 -7.833 1.00 0.00 C ATOM 1310 O GLU A 85 -8.048 -5.712 -6.629 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.321 -4.086 -9.287 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.399 -3.998 -10.354 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.882 -4.342 -11.737 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.840 -5.024 -11.829 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.520 -3.930 -12.728 1.00 0.00 O ATOM 0 H GLU A 85 -10.342 -5.851 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.800 -6.137 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.613 -3.472 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.396 -3.665 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.215 -4.674 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.812 -2.989 -10.365 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.676 -5.310 -8.366 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.468 -5.291 -7.549 1.00 0.00 C ATOM 1324 C LYS A 86 -4.297 -4.694 -8.323 1.00 0.00 C ATOM 1325 O LYS A 86 -4.200 -4.854 -9.541 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.119 -6.707 -7.086 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.318 -7.500 -8.105 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.896 -8.851 -7.552 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.939 -9.564 -8.495 1.00 0.00 C ATOM 1330 NZ LYS A 86 -2.198 -10.659 -7.809 1.00 0.00 N ATOM 0 H LYS A 86 -6.515 -5.151 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.659 -4.667 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.552 -6.647 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.040 -7.245 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.915 -7.645 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.434 -6.933 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.419 -8.715 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.778 -9.471 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.497 -9.975 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.229 -8.845 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.556 -11.120 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.646 -10.264 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.874 -11.358 -7.441 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.411 -4.009 -7.610 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.245 -3.389 -8.231 1.00 0.00 C ATOM 1346 C CYS A 87 -0.961 -3.822 -7.531 1.00 0.00 C ATOM 1347 O CYS A 87 -0.997 -4.577 -6.559 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.372 -1.865 -8.194 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.641 -1.187 -6.539 1.00 0.00 S ATOM 0 H CYS A 87 -3.477 -3.868 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.199 -3.718 -9.269 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.467 -1.425 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.199 -1.564 -8.837 1.00 0.00 H new ATOM 0 HG CYS A 87 -3.146 0.007 -6.636 1.00 0.00 H new ATOM 1355 N SER A 88 0.172 -3.341 -8.033 1.00 0.00 N ATOM 1356 CA SER A 88 1.468 -3.683 -7.459 1.00 0.00 C ATOM 1357 C SER A 88 2.487 -2.579 -7.723 1.00 0.00 C ATOM 1358 O SER A 88 2.363 -1.820 -8.685 1.00 0.00 O ATOM 1359 CB SER A 88 1.972 -5.007 -8.037 1.00 0.00 C ATOM 1360 OG SER A 88 2.062 -4.946 -9.450 1.00 0.00 O ATOM 0 H SER A 88 0.219 -2.713 -8.836 1.00 0.00 H new ATOM 0 HA SER A 88 1.344 -3.789 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.950 -5.242 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.299 -5.814 -7.747 1.00 0.00 H new ATOM 0 HG SER A 88 2.388 -5.804 -9.794 1.00 0.00 H new ATOM 1366 N THR A 89 3.496 -2.496 -6.862 1.00 0.00 N ATOM 1367 CA THR A 89 4.537 -1.485 -7.000 1.00 0.00 C ATOM 1368 C THR A 89 5.896 -2.034 -6.579 1.00 0.00 C ATOM 1369 O THR A 89 5.996 -3.158 -6.090 1.00 0.00 O ATOM 1370 CB THR A 89 4.219 -0.233 -6.161 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.193 0.786 -6.414 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.200 -0.566 -4.677 1.00 0.00 C ATOM 0 H THR A 89 3.615 -3.117 -6.061 1.00 0.00 H new ATOM 0 HA THR A 89 4.571 -1.208 -8.054 1.00 0.00 H new ATOM 0 HB THR A 89 3.232 0.129 -6.448 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.983 1.237 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.973 0.334 -4.105 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.438 -1.321 -4.483 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.175 -0.950 -4.378 1.00 0.00 H new ATOM 1380 N GLU A 90 6.938 -1.232 -6.771 1.00 0.00 N ATOM 1381 CA GLU A 90 8.291 -1.639 -6.410 1.00 0.00 C ATOM 1382 C GLU A 90 8.982 -0.558 -5.583 1.00 0.00 C ATOM 1383 O GLU A 90 9.038 0.605 -5.984 1.00 0.00 O ATOM 1384 CB GLU A 90 9.110 -1.936 -7.668 1.00 0.00 C ATOM 1385 CG GLU A 90 8.871 -3.325 -8.236 1.00 0.00 C ATOM 1386 CD GLU A 90 9.640 -3.571 -9.519 1.00 0.00 C ATOM 1387 OE1 GLU A 90 9.840 -2.605 -10.285 1.00 0.00 O ATOM 1388 OE2 GLU A 90 10.041 -4.729 -9.758 1.00 0.00 O ATOM 0 H GLU A 90 6.872 -0.297 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 90 8.222 -2.545 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.871 -1.195 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.169 -1.825 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.159 -4.071 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.806 -3.458 -8.424 1.00 0.00 H new ATOM 1395 N LEU A 91 9.507 -0.951 -4.428 1.00 0.00 N ATOM 1396 CA LEU A 91 10.195 -0.017 -3.543 1.00 0.00 C ATOM 1397 C LEU A 91 11.706 -0.097 -3.735 1.00 0.00 C ATOM 1398 O LEU A 91 12.305 -1.162 -3.588 1.00 0.00 O ATOM 1399 CB LEU A 91 9.838 -0.309 -2.085 1.00 0.00 C ATOM 1400 CG LEU A 91 10.413 0.656 -1.047 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.933 0.599 -1.050 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.930 2.074 -1.312 1.00 0.00 C ATOM 0 H LEU A 91 9.470 -1.910 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 91 9.869 0.992 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.752 -0.308 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.178 -1.316 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 91 10.060 0.352 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.325 1.292 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.260 -0.413 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.306 0.877 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.349 2.747 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.253 2.389 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.842 2.104 -1.258 1.00 0.00 H new ATOM 1414 N PHE A 92 12.316 1.037 -4.063 1.00 0.00 N ATOM 1415 CA PHE A 92 13.758 1.096 -4.274 1.00 0.00 C ATOM 1416 C PHE A 92 14.433 1.930 -3.189 1.00 0.00 C ATOM 1417 O PHE A 92 14.490 3.157 -3.279 1.00 0.00 O ATOM 1418 CB PHE A 92 14.070 1.682 -5.652 1.00 0.00 C ATOM 1419 CG PHE A 92 13.944 0.687 -6.770 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.967 -0.208 -7.038 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.801 0.646 -7.553 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.854 -1.124 -8.066 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.682 -0.269 -8.582 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.709 -1.155 -8.839 1.00 0.00 C ATOM 0 H PHE A 92 11.835 1.927 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 92 14.149 0.080 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.397 2.518 -5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.083 2.083 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.864 -0.189 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.994 1.337 -7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.660 -1.815 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.786 -0.291 -9.185 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.618 -1.871 -9.643 1.00 0.00 H new ATOM 1434 N VAL A 93 14.943 1.255 -2.164 1.00 0.00 N ATOM 1435 CA VAL A 93 15.615 1.933 -1.061 1.00 0.00 C ATOM 1436 C VAL A 93 17.119 2.010 -1.298 1.00 0.00 C ATOM 1437 O VAL A 93 17.784 0.988 -1.467 1.00 0.00 O ATOM 1438 CB VAL A 93 15.353 1.220 0.279 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.539 -0.282 0.130 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.264 1.774 1.364 1.00 0.00 C ATOM 0 H VAL A 93 14.904 0.240 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 93 15.206 2.942 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 93 14.320 1.406 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.350 -0.769 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.841 -0.663 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.560 -0.492 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.065 1.259 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.305 1.620 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.076 2.840 1.488 1.00 0.00 H new ATOM 1450 N ARG A 94 17.649 3.229 -1.307 1.00 0.00 N ATOM 1451 CA ARG A 94 19.075 3.439 -1.524 1.00 0.00 C ATOM 1452 C ARG A 94 19.854 3.265 -0.223 1.00 0.00 C ATOM 1453 O ARG A 94 19.270 3.046 0.838 1.00 0.00 O ATOM 1454 CB ARG A 94 19.325 4.835 -2.097 1.00 0.00 C ATOM 1455 CG ARG A 94 18.461 5.162 -3.304 1.00 0.00 C ATOM 1456 CD ARG A 94 18.433 6.657 -3.581 1.00 0.00 C ATOM 1457 NE ARG A 94 19.775 7.207 -3.753 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.499 7.047 -4.854 1.00 0.00 C ATOM 1459 NH1 ARG A 94 20.014 6.357 -5.877 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.713 7.578 -4.935 1.00 0.00 N ATOM 0 H ARG A 94 17.113 4.085 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 94 19.422 2.693 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.142 5.576 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.375 4.920 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.843 4.636 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.446 4.803 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 94 17.845 6.848 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 94 17.934 7.169 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 94 20.178 7.744 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 94 19.082 5.947 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 94 20.573 6.236 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.090 8.110 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 94 22.268 7.454 -5.782 1.00 0.00 H new