USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 681 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 102 TYR OH : rot -150:sc= -5.86! USER MOD Set 1.2: A 106 GLN : amide:sc= -0.531 K(o=-6.4,f=-5.8) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.104 K(o=-2.5,f=-5!) USER MOD Set 2.2: A 72 CYS SG : rot 27:sc= -2.38! USER MOD Set 3.1: A 27 THR OG1 : rot -100:sc= -5.01! USER MOD Set 3.2: A 88 ASN : amide:sc= -0.588 K(o=-5.6,f=-7.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -1.23 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 88:sc= 1.18 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.09) USER MOD Single : A 48 CYS SG : rot -58:sc= -9.86! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -108:sc= 1.01 (180deg=0.0841) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= -4.2! (180deg=-5.37!) USER MOD Single : A 66 THR OG1 : rot -43:sc= 0.959 USER MOD Single : A 71 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 83:sc= 1.07 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.39! K(o=-4.4!,f=-2.1) USER MOD Single : A 86 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-1.1) USER MOD Single : A 87 GLN : amide:sc= -7.09! C(o=-7.1!,f=-5.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -50:sc= 1.02 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.574 X(o=-0.57,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 106:sc= 0.915 USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.312) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.601 USER MOD Single : A 110 ASN : amide:sc= -4.99! C(o=-5!,f=-7.6!) USER MOD Single : A 111 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.5!) USER MOD Single : A 113 LYS NZ :NH3+ 160:sc= 0.0924 (180deg=0.0308) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.396 2.836 -3.647 1.00 0.00 N ATOM 71 CA THR A 27 -19.187 3.435 -4.179 1.00 0.00 C ATOM 72 C THR A 27 -18.470 4.202 -3.071 1.00 0.00 C ATOM 73 O THR A 27 -17.242 4.280 -3.046 1.00 0.00 O ATOM 74 CB THR A 27 -19.530 4.350 -5.362 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.160 3.742 -6.586 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.859 5.703 -5.306 1.00 0.00 C ATOM 0 HA THR A 27 -18.519 2.655 -4.545 1.00 0.00 H new ATOM 0 HB THR A 27 -20.607 4.501 -5.297 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.307 4.114 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.151 6.290 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.164 6.223 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.777 5.573 -5.303 1.00 0.00 H new ATOM 84 N LYS A 28 -19.254 4.752 -2.147 1.00 0.00 N ATOM 85 CA LYS A 28 -18.705 5.495 -1.023 1.00 0.00 C ATOM 86 C LYS A 28 -17.845 4.576 -0.167 1.00 0.00 C ATOM 87 O LYS A 28 -16.781 4.967 0.313 1.00 0.00 O ATOM 88 CB LYS A 28 -19.833 6.097 -0.182 1.00 0.00 C ATOM 89 CG LYS A 28 -19.543 7.505 0.308 1.00 0.00 C ATOM 90 CD LYS A 28 -19.379 8.477 -0.850 1.00 0.00 C ATOM 91 CE LYS A 28 -18.220 9.432 -0.616 1.00 0.00 C ATOM 92 NZ LYS A 28 -18.474 10.342 0.535 1.00 0.00 N ATOM 0 H LYS A 28 -20.272 4.695 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.086 6.307 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.749 6.109 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.017 5.453 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -20.354 7.841 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.636 7.501 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.213 7.921 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -20.299 9.046 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.310 8.861 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.050 10.023 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.660 10.977 0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.328 10.906 0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.611 9.779 1.399 1.00 0.00 H new ATOM 106 N GLU A 29 -18.310 3.341 0.005 1.00 0.00 N ATOM 107 CA GLU A 29 -17.579 2.354 0.787 1.00 0.00 C ATOM 108 C GLU A 29 -16.222 2.088 0.150 1.00 0.00 C ATOM 109 O GLU A 29 -15.222 1.904 0.843 1.00 0.00 O ATOM 110 CB GLU A 29 -18.378 1.054 0.887 1.00 0.00 C ATOM 111 CG GLU A 29 -19.449 1.079 1.966 1.00 0.00 C ATOM 112 CD GLU A 29 -19.176 0.091 3.084 1.00 0.00 C ATOM 113 OE1 GLU A 29 -17.988 -0.163 3.375 1.00 0.00 O ATOM 114 OE2 GLU A 29 -20.150 -0.428 3.669 1.00 0.00 O ATOM 0 H GLU A 29 -19.189 3.003 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.428 2.746 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.848 0.851 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.692 0.230 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.516 2.084 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.417 0.855 1.517 1.00 0.00 H new ATOM 121 N LEU A 30 -16.196 2.082 -1.181 1.00 0.00 N ATOM 122 CA LEU A 30 -14.961 1.853 -1.919 1.00 0.00 C ATOM 123 C LEU A 30 -13.934 2.923 -1.567 1.00 0.00 C ATOM 124 O LEU A 30 -12.802 2.614 -1.198 1.00 0.00 O ATOM 125 CB LEU A 30 -15.243 1.836 -3.426 1.00 0.00 C ATOM 126 CG LEU A 30 -14.104 2.318 -4.331 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.949 1.328 -4.308 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.607 2.523 -5.753 1.00 0.00 C ATOM 0 H LEU A 30 -17.016 2.233 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.551 0.883 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.503 0.818 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.119 2.455 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.742 3.274 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.149 1.687 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.574 1.230 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.295 0.357 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.786 2.865 -6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.994 1.581 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.401 3.270 -5.754 1.00 0.00 H new ATOM 140 N SER A 31 -14.345 4.185 -1.666 1.00 0.00 N ATOM 141 CA SER A 31 -13.463 5.298 -1.338 1.00 0.00 C ATOM 142 C SER A 31 -12.898 5.119 0.069 1.00 0.00 C ATOM 143 O SER A 31 -11.818 5.616 0.383 1.00 0.00 O ATOM 144 CB SER A 31 -14.217 6.625 -1.437 1.00 0.00 C ATOM 145 OG SER A 31 -14.476 6.965 -2.788 1.00 0.00 O ATOM 0 H SER A 31 -15.279 4.460 -1.969 1.00 0.00 H new ATOM 0 HA SER A 31 -12.640 5.313 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.157 6.554 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.632 7.415 -0.966 1.00 0.00 H new ATOM 0 HG SER A 31 -14.960 7.816 -2.824 1.00 0.00 H new ATOM 151 N ASN A 32 -13.634 4.388 0.907 1.00 0.00 N ATOM 152 CA ASN A 32 -13.200 4.123 2.271 1.00 0.00 C ATOM 153 C ASN A 32 -12.009 3.174 2.254 1.00 0.00 C ATOM 154 O ASN A 32 -11.064 3.327 3.028 1.00 0.00 O ATOM 155 CB ASN A 32 -14.345 3.523 3.091 1.00 0.00 C ATOM 156 CG ASN A 32 -14.673 4.351 4.319 1.00 0.00 C ATOM 157 OD1 ASN A 32 -14.014 4.238 5.352 1.00 0.00 O ATOM 158 ND2 ASN A 32 -15.697 5.190 4.210 1.00 0.00 N ATOM 0 H ASN A 32 -14.532 3.971 0.662 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.902 5.063 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.233 3.441 2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.077 2.512 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.965 5.774 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.215 5.251 3.334 1.00 0.00 H new ATOM 165 N LEU A 33 -12.051 2.208 1.339 1.00 0.00 N ATOM 166 CA LEU A 33 -10.965 1.250 1.191 1.00 0.00 C ATOM 167 C LEU A 33 -9.783 1.942 0.536 1.00 0.00 C ATOM 168 O LEU A 33 -8.630 1.732 0.911 1.00 0.00 O ATOM 169 CB LEU A 33 -11.403 0.050 0.342 1.00 0.00 C ATOM 170 CG LEU A 33 -12.869 -0.366 0.492 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.297 -1.233 -0.682 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.082 -1.099 1.808 1.00 0.00 C ATOM 0 H LEU A 33 -12.826 2.070 0.691 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.683 0.880 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.215 0.281 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.774 -0.803 0.598 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.486 0.532 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.341 -1.520 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.180 -0.673 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.676 -2.128 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.129 -1.387 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.456 -1.991 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.813 -0.444 2.637 1.00 0.00 H new ATOM 184 N ILE A 34 -10.094 2.791 -0.432 1.00 0.00 N ATOM 185 CA ILE A 34 -9.083 3.555 -1.141 1.00 0.00 C ATOM 186 C ILE A 34 -8.460 4.575 -0.200 1.00 0.00 C ATOM 187 O ILE A 34 -7.242 4.749 -0.170 1.00 0.00 O ATOM 188 CB ILE A 34 -9.702 4.267 -2.362 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.988 3.249 -3.463 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.799 5.379 -2.880 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.790 3.807 -4.611 1.00 0.00 C ATOM 0 H ILE A 34 -11.048 2.968 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.310 2.874 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.638 4.729 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.042 2.865 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.525 2.403 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.268 5.858 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.644 6.118 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.838 4.959 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.954 3.026 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.751 4.165 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.245 4.634 -5.067 1.00 0.00 H new ATOM 203 N GLU A 35 -9.308 5.237 0.579 1.00 0.00 N ATOM 204 CA GLU A 35 -8.844 6.230 1.535 1.00 0.00 C ATOM 205 C GLU A 35 -7.789 5.619 2.448 1.00 0.00 C ATOM 206 O GLU A 35 -6.843 6.290 2.861 1.00 0.00 O ATOM 207 CB GLU A 35 -10.014 6.766 2.363 1.00 0.00 C ATOM 208 CG GLU A 35 -10.689 7.980 1.747 1.00 0.00 C ATOM 209 CD GLU A 35 -9.736 9.144 1.557 1.00 0.00 C ATOM 210 OE1 GLU A 35 -9.145 9.597 2.560 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.579 9.601 0.406 1.00 0.00 O ATOM 0 H GLU A 35 -10.319 5.103 0.566 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.401 7.062 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.753 5.974 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.655 7.027 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.116 7.704 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.516 8.293 2.384 1.00 0.00 H new ATOM 218 N THR A 36 -7.944 4.328 2.736 1.00 0.00 N ATOM 219 CA THR A 36 -6.988 3.623 3.573 1.00 0.00 C ATOM 220 C THR A 36 -5.764 3.276 2.740 1.00 0.00 C ATOM 221 O THR A 36 -4.630 3.410 3.193 1.00 0.00 O ATOM 222 CB THR A 36 -7.623 2.364 4.183 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.344 2.288 5.570 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.155 1.066 3.554 1.00 0.00 C ATOM 0 H THR A 36 -8.719 3.756 2.402 1.00 0.00 H new ATOM 0 HA THR A 36 -6.685 4.264 4.401 1.00 0.00 H new ATOM 0 HB THR A 36 -8.690 2.469 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.757 1.481 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.650 0.226 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.402 1.066 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.076 0.971 3.676 1.00 0.00 H new ATOM 232 N PHE A 37 -6.009 2.854 1.502 1.00 0.00 N ATOM 233 CA PHE A 37 -4.931 2.515 0.587 1.00 0.00 C ATOM 234 C PHE A 37 -4.034 3.726 0.392 1.00 0.00 C ATOM 235 O PHE A 37 -2.810 3.615 0.399 1.00 0.00 O ATOM 236 CB PHE A 37 -5.495 2.056 -0.759 1.00 0.00 C ATOM 237 CG PHE A 37 -4.541 1.226 -1.580 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.499 0.514 -0.989 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.686 1.166 -2.955 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.630 -0.233 -1.762 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.819 0.420 -3.727 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.790 -0.279 -3.130 1.00 0.00 C ATOM 0 H PHE A 37 -6.945 2.740 1.113 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.349 1.697 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.402 1.478 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.785 2.934 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.369 0.546 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.489 1.710 -3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.826 -0.781 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.946 0.383 -4.799 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.111 -0.862 -3.734 1.00 0.00 H new ATOM 252 N ALA A 38 -4.660 4.891 0.244 1.00 0.00 N ATOM 253 CA ALA A 38 -3.923 6.133 0.078 1.00 0.00 C ATOM 254 C ALA A 38 -3.007 6.349 1.274 1.00 0.00 C ATOM 255 O ALA A 38 -1.864 6.780 1.127 1.00 0.00 O ATOM 256 CB ALA A 38 -4.883 7.303 -0.082 1.00 0.00 C ATOM 0 H ALA A 38 -5.674 4.997 0.236 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.315 6.069 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.315 8.225 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.509 7.142 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.513 7.380 0.804 1.00 0.00 H new ATOM 262 N GLU A 39 -3.514 6.016 2.460 1.00 0.00 N ATOM 263 CA GLU A 39 -2.736 6.143 3.684 1.00 0.00 C ATOM 264 C GLU A 39 -1.671 5.052 3.714 1.00 0.00 C ATOM 265 O GLU A 39 -0.500 5.315 3.992 1.00 0.00 O ATOM 266 CB GLU A 39 -3.659 6.054 4.911 1.00 0.00 C ATOM 267 CG GLU A 39 -3.123 5.196 6.050 1.00 0.00 C ATOM 268 CD GLU A 39 -3.745 5.548 7.387 1.00 0.00 C ATOM 269 OE1 GLU A 39 -4.898 5.134 7.633 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.080 6.239 8.189 1.00 0.00 O ATOM 0 H GLU A 39 -4.459 5.657 2.596 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.243 7.115 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.839 7.061 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.623 5.654 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.314 4.146 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.042 5.317 6.113 1.00 0.00 H new ATOM 277 N GLN A 40 -2.089 3.828 3.402 1.00 0.00 N ATOM 278 CA GLN A 40 -1.181 2.694 3.365 1.00 0.00 C ATOM 279 C GLN A 40 -0.074 2.955 2.351 1.00 0.00 C ATOM 280 O GLN A 40 1.076 2.564 2.552 1.00 0.00 O ATOM 281 CB GLN A 40 -1.939 1.418 2.998 1.00 0.00 C ATOM 282 CG GLN A 40 -3.091 1.101 3.937 1.00 0.00 C ATOM 283 CD GLN A 40 -2.680 0.190 5.075 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.502 -0.124 5.241 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.655 -0.241 5.865 1.00 0.00 N ATOM 0 H GLN A 40 -3.056 3.600 3.171 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.739 2.563 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.325 1.514 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.242 0.580 2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.488 2.030 4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.896 0.631 3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.618 0.046 5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.441 -0.859 6.648 1.00 0.00 H new ATOM 294 N SER A 41 -0.433 3.639 1.266 1.00 0.00 N ATOM 295 CA SER A 41 0.525 3.979 0.224 1.00 0.00 C ATOM 296 C SER A 41 1.635 4.834 0.813 1.00 0.00 C ATOM 297 O SER A 41 2.816 4.521 0.675 1.00 0.00 O ATOM 298 CB SER A 41 -0.167 4.724 -0.920 1.00 0.00 C ATOM 299 OG SER A 41 -1.173 3.923 -1.516 1.00 0.00 O ATOM 0 H SER A 41 -1.382 3.967 1.089 1.00 0.00 H new ATOM 0 HA SER A 41 0.953 3.060 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.608 5.647 -0.543 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.570 5.007 -1.672 1.00 0.00 H new ATOM 0 HG SER A 41 -2.017 4.044 -1.032 1.00 0.00 H new ATOM 305 N ARG A 42 1.243 5.902 1.501 1.00 0.00 N ATOM 306 CA ARG A 42 2.212 6.779 2.144 1.00 0.00 C ATOM 307 C ARG A 42 2.947 6.001 3.222 1.00 0.00 C ATOM 308 O ARG A 42 4.118 6.248 3.497 1.00 0.00 O ATOM 309 CB ARG A 42 1.533 8.008 2.764 1.00 0.00 C ATOM 310 CG ARG A 42 0.250 8.430 2.068 1.00 0.00 C ATOM 311 CD ARG A 42 0.022 9.929 2.180 1.00 0.00 C ATOM 312 NE ARG A 42 -1.360 10.297 1.880 1.00 0.00 N ATOM 313 CZ ARG A 42 -1.833 10.463 0.647 1.00 0.00 C ATOM 314 NH1 ARG A 42 -1.042 10.290 -0.405 1.00 0.00 N ATOM 315 NH2 ARG A 42 -3.102 10.801 0.464 1.00 0.00 N ATOM 0 H ARG A 42 0.269 6.178 1.626 1.00 0.00 H new ATOM 0 HA ARG A 42 2.914 7.132 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.313 7.798 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.233 8.843 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.295 8.145 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.595 7.899 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.275 10.260 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.692 10.450 1.496 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.000 10.435 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.065 10.028 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.411 10.419 -1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.715 10.934 1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.465 10.928 -0.481 1.00 0.00 H new ATOM 329 N VAL A 43 2.246 5.041 3.818 1.00 0.00 N ATOM 330 CA VAL A 43 2.825 4.203 4.852 1.00 0.00 C ATOM 331 C VAL A 43 3.948 3.357 4.268 1.00 0.00 C ATOM 332 O VAL A 43 5.072 3.380 4.761 1.00 0.00 O ATOM 333 CB VAL A 43 1.757 3.293 5.495 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.363 1.994 6.002 1.00 0.00 C ATOM 335 CG2 VAL A 43 1.057 4.024 6.625 1.00 0.00 C ATOM 0 H VAL A 43 1.273 4.827 3.599 1.00 0.00 H new ATOM 0 HA VAL A 43 3.229 4.852 5.629 1.00 0.00 H new ATOM 0 HB VAL A 43 1.026 3.041 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.582 1.378 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.819 1.456 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.123 2.215 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.306 3.371 7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.787 4.307 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.574 4.920 6.235 1.00 0.00 H new ATOM 345 N LEU A 44 3.648 2.622 3.201 1.00 0.00 N ATOM 346 CA LEU A 44 4.659 1.795 2.561 1.00 0.00 C ATOM 347 C LEU A 44 5.893 2.641 2.281 1.00 0.00 C ATOM 348 O LEU A 44 7.008 2.252 2.607 1.00 0.00 O ATOM 349 CB LEU A 44 4.118 1.177 1.261 1.00 0.00 C ATOM 350 CG LEU A 44 4.362 -0.333 1.062 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.649 -0.580 0.285 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.397 -1.078 2.390 1.00 0.00 C ATOM 0 H LEU A 44 2.725 2.583 2.768 1.00 0.00 H new ATOM 0 HA LEU A 44 4.927 0.976 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.044 1.357 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.563 1.708 0.420 1.00 0.00 H new ATOM 0 HG LEU A 44 3.524 -0.720 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.798 -1.652 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.580 -0.105 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.492 -0.159 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.571 -2.139 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.201 -0.680 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.445 -0.950 2.904 1.00 0.00 H new ATOM 364 N GLU A 45 5.680 3.822 1.710 1.00 0.00 N ATOM 365 CA GLU A 45 6.785 4.724 1.426 1.00 0.00 C ATOM 366 C GLU A 45 7.428 5.185 2.733 1.00 0.00 C ATOM 367 O GLU A 45 8.632 5.428 2.791 1.00 0.00 O ATOM 368 CB GLU A 45 6.306 5.918 0.582 1.00 0.00 C ATOM 369 CG GLU A 45 6.022 7.188 1.373 1.00 0.00 C ATOM 370 CD GLU A 45 7.213 8.125 1.418 1.00 0.00 C ATOM 371 OE1 GLU A 45 7.636 8.599 0.343 1.00 0.00 O ATOM 372 OE2 GLU A 45 7.724 8.383 2.529 1.00 0.00 O ATOM 0 H GLU A 45 4.761 4.172 1.438 1.00 0.00 H new ATOM 0 HA GLU A 45 7.539 4.194 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.062 6.138 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.400 5.628 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.173 7.707 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.735 6.922 2.390 1.00 0.00 H new ATOM 379 N LYS A 46 6.614 5.284 3.784 1.00 0.00 N ATOM 380 CA LYS A 46 7.108 5.696 5.095 1.00 0.00 C ATOM 381 C LYS A 46 7.992 4.600 5.683 1.00 0.00 C ATOM 382 O LYS A 46 9.133 4.846 6.077 1.00 0.00 O ATOM 383 CB LYS A 46 5.934 6.038 6.037 1.00 0.00 C ATOM 384 CG LYS A 46 5.625 4.985 7.099 1.00 0.00 C ATOM 385 CD LYS A 46 4.486 5.420 8.005 1.00 0.00 C ATOM 386 CE LYS A 46 4.090 4.312 8.968 1.00 0.00 C ATOM 387 NZ LYS A 46 4.964 4.284 10.173 1.00 0.00 N ATOM 0 H LYS A 46 5.614 5.085 3.752 1.00 0.00 H new ATOM 0 HA LYS A 46 7.710 6.598 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.153 6.982 6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.040 6.197 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.365 4.044 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.516 4.800 7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.784 6.304 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.625 5.703 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.053 4.451 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.145 3.351 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.545 3.659 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.905 3.928 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.053 5.245 10.560 1.00 0.00 H new ATOM 401 N GLU A 47 7.467 3.382 5.719 1.00 0.00 N ATOM 402 CA GLU A 47 8.222 2.257 6.237 1.00 0.00 C ATOM 403 C GLU A 47 9.365 1.918 5.294 1.00 0.00 C ATOM 404 O GLU A 47 10.421 1.466 5.724 1.00 0.00 O ATOM 405 CB GLU A 47 7.319 1.036 6.419 1.00 0.00 C ATOM 406 CG GLU A 47 6.404 1.113 7.632 1.00 0.00 C ATOM 407 CD GLU A 47 7.089 1.677 8.863 1.00 0.00 C ATOM 408 OE1 GLU A 47 7.740 0.897 9.590 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.974 2.898 9.100 1.00 0.00 O ATOM 0 H GLU A 47 6.527 3.152 5.397 1.00 0.00 H new ATOM 0 HA GLU A 47 8.629 2.535 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.708 0.913 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.943 0.146 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.541 1.732 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.027 0.116 7.859 1.00 0.00 H new ATOM 416 N CYS A 48 9.142 2.146 4.004 1.00 0.00 N ATOM 417 CA CYS A 48 10.151 1.870 2.993 1.00 0.00 C ATOM 418 C CYS A 48 11.265 2.908 3.041 1.00 0.00 C ATOM 419 O CYS A 48 12.418 2.605 2.733 1.00 0.00 O ATOM 420 CB CYS A 48 9.518 1.848 1.601 1.00 0.00 C ATOM 421 SG CYS A 48 8.456 0.417 1.300 1.00 0.00 S ATOM 0 H CYS A 48 8.269 2.522 3.635 1.00 0.00 H new ATOM 0 HA CYS A 48 10.581 0.891 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.933 2.757 1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.310 1.864 0.852 1.00 0.00 H new ATOM 0 HG CYS A 48 9.141 -0.675 1.470 1.00 0.00 H new ATOM 427 N THR A 49 10.922 4.134 3.431 1.00 0.00 N ATOM 428 CA THR A 49 11.915 5.196 3.514 1.00 0.00 C ATOM 429 C THR A 49 12.924 4.898 4.616 1.00 0.00 C ATOM 430 O THR A 49 14.099 5.247 4.500 1.00 0.00 O ATOM 431 CB THR A 49 11.251 6.563 3.739 1.00 0.00 C ATOM 432 OG1 THR A 49 12.163 7.610 3.458 1.00 0.00 O ATOM 433 CG2 THR A 49 10.735 6.778 5.147 1.00 0.00 C ATOM 0 H THR A 49 9.976 4.412 3.691 1.00 0.00 H new ATOM 0 HA THR A 49 12.444 5.237 2.562 1.00 0.00 H new ATOM 0 HB THR A 49 10.398 6.573 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.724 8.474 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.281 7.766 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.990 6.018 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.562 6.704 5.853 1.00 0.00 H new ATOM 441 N LYS A 50 12.468 4.245 5.684 1.00 0.00 N ATOM 442 CA LYS A 50 13.356 3.907 6.786 1.00 0.00 C ATOM 443 C LYS A 50 14.159 2.643 6.479 1.00 0.00 C ATOM 444 O LYS A 50 15.246 2.447 7.024 1.00 0.00 O ATOM 445 CB LYS A 50 12.569 3.745 8.089 1.00 0.00 C ATOM 446 CG LYS A 50 11.893 2.393 8.247 1.00 0.00 C ATOM 447 CD LYS A 50 10.484 2.540 8.793 1.00 0.00 C ATOM 448 CE LYS A 50 10.498 2.907 10.267 1.00 0.00 C ATOM 449 NZ LYS A 50 9.222 3.543 10.697 1.00 0.00 N ATOM 0 H LYS A 50 11.501 3.944 5.806 1.00 0.00 H new ATOM 0 HA LYS A 50 14.060 4.730 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.245 3.901 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.810 4.526 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.860 1.886 7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.481 1.766 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.952 3.307 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.939 1.607 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.675 2.011 10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.326 3.588 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.379 4.557 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.506 3.424 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.888 3.093 11.573 1.00 0.00 H new ATOM 463 N ILE A 51 13.628 1.787 5.599 1.00 0.00 N ATOM 464 CA ILE A 51 14.317 0.552 5.228 1.00 0.00 C ATOM 465 C ILE A 51 15.784 0.825 4.910 1.00 0.00 C ATOM 466 O ILE A 51 16.106 1.674 4.079 1.00 0.00 O ATOM 467 CB ILE A 51 13.648 -0.134 4.013 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.243 -0.611 4.389 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.496 -1.300 3.509 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.234 -1.799 5.325 1.00 0.00 C ATOM 0 H ILE A 51 12.730 1.927 5.135 1.00 0.00 H new ATOM 0 HA ILE A 51 14.250 -0.119 6.084 1.00 0.00 H new ATOM 0 HB ILE A 51 13.568 0.594 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.702 0.212 4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.702 -0.872 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.004 -1.765 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.477 -0.933 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.613 -2.035 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.204 -2.080 5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.746 -2.638 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.746 -1.537 6.251 1.00 0.00 H new ATOM 606 N LEU A 60 10.400 -4.364 11.271 1.00 0.00 N ATOM 607 CA LEU A 60 9.851 -3.419 10.311 1.00 0.00 C ATOM 608 C LEU A 60 9.567 -4.129 8.990 1.00 0.00 C ATOM 609 O LEU A 60 8.435 -4.125 8.504 1.00 0.00 O ATOM 610 CB LEU A 60 10.823 -2.244 10.114 1.00 0.00 C ATOM 611 CG LEU A 60 11.036 -1.778 8.669 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.714 -1.379 8.031 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.021 -0.621 8.626 1.00 0.00 C ATOM 0 HA LEU A 60 8.911 -3.019 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.460 -1.398 10.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.790 -2.526 10.529 1.00 0.00 H new ATOM 0 HG LEU A 60 11.451 -2.608 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.889 -1.052 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.038 -2.234 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.266 -0.565 8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.162 -0.301 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.631 0.210 9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.977 -0.941 9.040 1.00 0.00 H new ATOM 625 N ARG A 61 10.597 -4.747 8.419 1.00 0.00 N ATOM 626 CA ARG A 61 10.440 -5.471 7.157 1.00 0.00 C ATOM 627 C ARG A 61 9.344 -6.520 7.295 1.00 0.00 C ATOM 628 O ARG A 61 8.552 -6.729 6.376 1.00 0.00 O ATOM 629 CB ARG A 61 11.750 -6.138 6.695 1.00 0.00 C ATOM 630 CG ARG A 61 12.911 -6.026 7.672 1.00 0.00 C ATOM 631 CD ARG A 61 13.572 -4.658 7.601 1.00 0.00 C ATOM 632 NE ARG A 61 14.291 -4.460 6.345 1.00 0.00 N ATOM 633 CZ ARG A 61 15.300 -3.604 6.196 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.681 -2.833 7.203 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.923 -3.511 5.030 1.00 0.00 N ATOM 0 H ARG A 61 11.541 -4.763 8.804 1.00 0.00 H new ATOM 0 HA ARG A 61 10.163 -4.741 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.555 -7.194 6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.050 -5.694 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.553 -6.206 8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.648 -6.799 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.813 -3.883 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.264 -4.546 8.436 1.00 0.00 H new ATOM 0 HE ARG A 61 14.003 -5.009 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.201 -2.892 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.455 -2.180 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.630 -4.095 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.696 -2.855 4.916 1.00 0.00 H new ATOM 649 N TYR A 62 9.287 -7.162 8.460 1.00 0.00 N ATOM 650 CA TYR A 62 8.267 -8.167 8.718 1.00 0.00 C ATOM 651 C TYR A 62 6.904 -7.500 8.771 1.00 0.00 C ATOM 652 O TYR A 62 5.975 -7.906 8.081 1.00 0.00 O ATOM 653 CB TYR A 62 8.554 -8.903 10.028 1.00 0.00 C ATOM 654 CG TYR A 62 9.089 -10.302 9.831 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.227 -11.379 9.675 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.456 -10.546 9.801 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.711 -12.661 9.495 1.00 0.00 C ATOM 658 CE2 TYR A 62 10.949 -11.824 9.621 1.00 0.00 C ATOM 659 CZ TYR A 62 10.073 -12.878 9.469 1.00 0.00 C ATOM 660 OH TYR A 62 10.559 -14.153 9.290 1.00 0.00 O ATOM 0 H TYR A 62 9.932 -7.003 9.234 1.00 0.00 H new ATOM 0 HA TYR A 62 8.277 -8.900 7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.274 -8.326 10.609 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.637 -8.953 10.615 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.160 -11.212 9.695 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.145 -9.723 9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.027 -13.488 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.015 -11.997 9.599 1.00 0.00 H new ATOM 0 HH TYR A 62 11.539 -14.133 9.295 1.00 0.00 H new ATOM 670 N LYS A 63 6.799 -6.452 9.576 1.00 0.00 N ATOM 671 CA LYS A 63 5.556 -5.706 9.698 1.00 0.00 C ATOM 672 C LYS A 63 5.113 -5.212 8.324 1.00 0.00 C ATOM 673 O LYS A 63 3.925 -5.191 8.006 1.00 0.00 O ATOM 674 CB LYS A 63 5.753 -4.526 10.657 1.00 0.00 C ATOM 675 CG LYS A 63 4.603 -3.531 10.669 1.00 0.00 C ATOM 676 CD LYS A 63 5.090 -2.124 10.973 1.00 0.00 C ATOM 677 CE LYS A 63 5.376 -1.343 9.699 1.00 0.00 C ATOM 678 NZ LYS A 63 4.479 -0.163 9.558 1.00 0.00 N ATOM 0 H LYS A 63 7.561 -6.099 10.155 1.00 0.00 H new ATOM 0 HA LYS A 63 4.780 -6.357 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.894 -4.913 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.669 -4.001 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.100 -3.542 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.867 -3.832 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.339 -1.598 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.994 -2.174 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.414 -1.011 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.253 -1.998 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.092 -0.135 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.699 -0.236 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.019 0.707 9.740 1.00 0.00 H new ATOM 692 N ILE A 64 6.087 -4.814 7.516 1.00 0.00 N ATOM 693 CA ILE A 64 5.824 -4.318 6.178 1.00 0.00 C ATOM 694 C ILE A 64 5.238 -5.408 5.275 1.00 0.00 C ATOM 695 O ILE A 64 4.181 -5.223 4.670 1.00 0.00 O ATOM 696 CB ILE A 64 7.127 -3.746 5.558 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.056 -2.220 5.506 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.400 -4.320 4.174 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.157 -1.579 4.685 1.00 0.00 C ATOM 0 H ILE A 64 7.075 -4.827 7.771 1.00 0.00 H new ATOM 0 HA ILE A 64 5.083 -3.523 6.256 1.00 0.00 H new ATOM 0 HB ILE A 64 7.958 -4.044 6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.091 -1.925 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.101 -1.830 6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.321 -3.892 3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.503 -5.403 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.571 -4.076 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.037 -0.496 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.126 -1.841 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.101 -1.938 3.657 1.00 0.00 H new ATOM 711 N GLU A 65 5.943 -6.531 5.168 1.00 0.00 N ATOM 712 CA GLU A 65 5.507 -7.633 4.313 1.00 0.00 C ATOM 713 C GLU A 65 4.415 -8.481 4.962 1.00 0.00 C ATOM 714 O GLU A 65 3.634 -9.127 4.266 1.00 0.00 O ATOM 715 CB GLU A 65 6.700 -8.519 3.951 1.00 0.00 C ATOM 716 CG GLU A 65 7.757 -7.808 3.121 1.00 0.00 C ATOM 717 CD GLU A 65 8.293 -8.672 1.996 1.00 0.00 C ATOM 718 OE1 GLU A 65 8.366 -9.905 2.178 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.642 -8.114 0.935 1.00 0.00 O ATOM 0 H GLU A 65 6.819 -6.703 5.662 1.00 0.00 H new ATOM 0 HA GLU A 65 5.083 -7.190 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.158 -8.889 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.342 -9.389 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.332 -6.896 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.581 -7.508 3.768 1.00 0.00 H new ATOM 726 N THR A 66 4.377 -8.505 6.288 1.00 0.00 N ATOM 727 CA THR A 66 3.395 -9.302 7.002 1.00 0.00 C ATOM 728 C THR A 66 2.199 -8.472 7.474 1.00 0.00 C ATOM 729 O THR A 66 1.200 -9.032 7.926 1.00 0.00 O ATOM 730 CB THR A 66 4.058 -9.979 8.198 1.00 0.00 C ATOM 731 OG1 THR A 66 4.207 -9.071 9.275 1.00 0.00 O ATOM 732 CG2 THR A 66 5.422 -10.557 7.886 1.00 0.00 C ATOM 0 H THR A 66 5.015 -7.982 6.888 1.00 0.00 H new ATOM 0 HA THR A 66 3.014 -10.051 6.307 1.00 0.00 H new ATOM 0 HB THR A 66 3.391 -10.799 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.525 -8.209 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.834 -11.022 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.329 -11.305 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.087 -9.760 7.553 1.00 0.00 H new ATOM 740 N GLU A 67 2.293 -7.145 7.387 1.00 0.00 N ATOM 741 CA GLU A 67 1.192 -6.291 7.833 1.00 0.00 C ATOM 742 C GLU A 67 0.852 -5.197 6.815 1.00 0.00 C ATOM 743 O GLU A 67 -0.315 -5.015 6.467 1.00 0.00 O ATOM 744 CB GLU A 67 1.523 -5.681 9.207 1.00 0.00 C ATOM 745 CG GLU A 67 1.443 -4.160 9.266 1.00 0.00 C ATOM 746 CD GLU A 67 1.542 -3.627 10.682 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.206 -4.376 11.623 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.956 -2.461 10.849 1.00 0.00 O ATOM 0 H GLU A 67 3.103 -6.646 7.019 1.00 0.00 H new ATOM 0 HA GLU A 67 0.305 -6.917 7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.839 -6.096 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.528 -5.990 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.246 -3.734 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.503 -3.832 8.823 1.00 0.00 H new ATOM 755 N LEU A 68 1.858 -4.457 6.354 1.00 0.00 N ATOM 756 CA LEU A 68 1.620 -3.377 5.399 1.00 0.00 C ATOM 757 C LEU A 68 1.191 -3.915 4.035 1.00 0.00 C ATOM 758 O LEU A 68 -0.004 -4.029 3.762 1.00 0.00 O ATOM 759 CB LEU A 68 2.862 -2.491 5.256 1.00 0.00 C ATOM 760 CG LEU A 68 3.174 -1.609 6.468 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.284 -0.623 6.138 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.925 -0.871 6.931 1.00 0.00 C ATOM 0 H LEU A 68 2.834 -4.583 6.622 1.00 0.00 H new ATOM 0 HA LEU A 68 0.803 -2.772 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.724 -3.129 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.734 -1.850 4.383 1.00 0.00 H new ATOM 0 HG LEU A 68 3.513 -2.251 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.493 -0.004 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.184 -1.169 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.972 0.012 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.168 -0.250 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.554 -0.241 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.158 -1.593 7.209 1.00 0.00 H new ATOM 774 N ILE A 69 2.165 -4.235 3.179 1.00 0.00 N ATOM 775 CA ILE A 69 1.882 -4.753 1.837 1.00 0.00 C ATOM 776 C ILE A 69 0.656 -5.672 1.828 1.00 0.00 C ATOM 777 O ILE A 69 -0.303 -5.424 1.096 1.00 0.00 O ATOM 778 CB ILE A 69 3.110 -5.498 1.253 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.084 -4.494 0.632 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.693 -6.534 0.213 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.531 -4.751 0.988 1.00 0.00 C ATOM 0 H ILE A 69 3.158 -4.144 3.392 1.00 0.00 H new ATOM 0 HA ILE A 69 1.663 -3.892 1.206 1.00 0.00 H new ATOM 0 HB ILE A 69 3.603 -6.024 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.976 -4.519 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.812 -3.489 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.579 -7.037 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.032 -7.268 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.170 -6.038 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.162 -4.000 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.655 -4.696 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.821 -5.742 0.639 1.00 0.00 H new ATOM 793 N PRO A 70 0.662 -6.743 2.641 1.00 0.00 N ATOM 794 CA PRO A 70 -0.460 -7.680 2.711 1.00 0.00 C ATOM 795 C PRO A 70 -1.792 -6.964 2.892 1.00 0.00 C ATOM 796 O PRO A 70 -2.810 -7.378 2.339 1.00 0.00 O ATOM 797 CB PRO A 70 -0.148 -8.548 3.940 1.00 0.00 C ATOM 798 CG PRO A 70 1.011 -7.892 4.617 1.00 0.00 C ATOM 799 CD PRO A 70 1.743 -7.129 3.553 1.00 0.00 C ATOM 0 HA PRO A 70 -0.560 -8.256 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.009 -8.606 4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.097 -9.569 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.672 -7.225 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.661 -8.634 5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.261 -6.260 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.494 -7.744 3.056 1.00 0.00 H new ATOM 807 N ASN A 71 -1.775 -5.886 3.669 1.00 0.00 N ATOM 808 CA ASN A 71 -2.981 -5.108 3.922 1.00 0.00 C ATOM 809 C ASN A 71 -3.227 -4.108 2.797 1.00 0.00 C ATOM 810 O ASN A 71 -4.369 -3.873 2.402 1.00 0.00 O ATOM 811 CB ASN A 71 -2.872 -4.376 5.260 1.00 0.00 C ATOM 812 CG ASN A 71 -3.050 -5.306 6.444 1.00 0.00 C ATOM 813 OD1 ASN A 71 -3.211 -6.515 6.280 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.020 -4.744 7.647 1.00 0.00 N ATOM 0 H ASN A 71 -0.939 -5.532 4.134 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.826 -5.796 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.899 -3.890 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.625 -3.589 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.133 -5.319 8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.884 -3.737 7.736 1.00 0.00 H new ATOM 821 N CYS A 72 -2.150 -3.525 2.278 1.00 0.00 N ATOM 822 CA CYS A 72 -2.261 -2.559 1.194 1.00 0.00 C ATOM 823 C CYS A 72 -2.840 -3.227 -0.044 1.00 0.00 C ATOM 824 O CYS A 72 -3.842 -2.772 -0.597 1.00 0.00 O ATOM 825 CB CYS A 72 -0.898 -1.936 0.869 1.00 0.00 C ATOM 826 SG CYS A 72 0.101 -1.522 2.318 1.00 0.00 S ATOM 0 H CYS A 72 -1.196 -3.705 2.590 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.930 -1.761 1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.336 -2.628 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.057 -1.031 0.282 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.226 -2.300 3.307 1.00 0.00 H new ATOM 832 N THR A 73 -2.216 -4.321 -0.467 1.00 0.00 N ATOM 833 CA THR A 73 -2.688 -5.057 -1.628 1.00 0.00 C ATOM 834 C THR A 73 -4.064 -5.646 -1.340 1.00 0.00 C ATOM 835 O THR A 73 -4.968 -5.569 -2.168 1.00 0.00 O ATOM 836 CB THR A 73 -1.698 -6.161 -2.007 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.895 -6.573 -3.348 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.804 -7.387 -1.130 1.00 0.00 C ATOM 0 H THR A 73 -1.386 -4.714 -0.024 1.00 0.00 H new ATOM 0 HA THR A 73 -2.766 -4.371 -2.472 1.00 0.00 H new ATOM 0 HB THR A 73 -0.710 -5.721 -1.870 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.252 -7.278 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.075 -8.130 -1.453 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.607 -7.111 -0.094 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.807 -7.805 -1.209 1.00 0.00 H new ATOM 846 N SER A 74 -4.229 -6.211 -0.143 1.00 0.00 N ATOM 847 CA SER A 74 -5.514 -6.775 0.249 1.00 0.00 C ATOM 848 C SER A 74 -6.588 -5.704 0.126 1.00 0.00 C ATOM 849 O SER A 74 -7.740 -5.987 -0.199 1.00 0.00 O ATOM 850 CB SER A 74 -5.461 -7.306 1.682 1.00 0.00 C ATOM 851 OG SER A 74 -4.867 -8.591 1.729 1.00 0.00 O ATOM 0 H SER A 74 -3.496 -6.288 0.562 1.00 0.00 H new ATOM 0 HA SER A 74 -5.751 -7.610 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.894 -6.617 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.469 -7.353 2.093 1.00 0.00 H new ATOM 0 HG SER A 74 -3.891 -8.500 1.731 1.00 0.00 H new ATOM 857 N VAL A 75 -6.177 -4.461 0.365 1.00 0.00 N ATOM 858 CA VAL A 75 -7.068 -3.321 0.262 1.00 0.00 C ATOM 859 C VAL A 75 -7.448 -3.098 -1.203 1.00 0.00 C ATOM 860 O VAL A 75 -8.534 -2.604 -1.507 1.00 0.00 O ATOM 861 CB VAL A 75 -6.398 -2.063 0.881 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.363 -0.884 -0.078 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.088 -1.672 2.179 1.00 0.00 C ATOM 0 H VAL A 75 -5.222 -4.222 0.633 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.983 -3.515 0.822 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.363 -2.331 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.884 -0.034 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.799 -1.157 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.381 -0.615 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.604 -0.789 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.137 -1.452 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.018 -2.495 2.890 1.00 0.00 H new ATOM 873 N ARG A 76 -6.554 -3.505 -2.108 1.00 0.00 N ATOM 874 CA ARG A 76 -6.802 -3.391 -3.541 1.00 0.00 C ATOM 875 C ARG A 76 -7.902 -4.360 -3.942 1.00 0.00 C ATOM 876 O ARG A 76 -8.925 -3.964 -4.499 1.00 0.00 O ATOM 877 CB ARG A 76 -5.537 -3.719 -4.336 1.00 0.00 C ATOM 878 CG ARG A 76 -4.392 -2.745 -4.119 1.00 0.00 C ATOM 879 CD ARG A 76 -3.126 -3.224 -4.813 1.00 0.00 C ATOM 880 NE ARG A 76 -3.337 -3.444 -6.241 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.357 -3.693 -7.106 1.00 0.00 C ATOM 882 NH1 ARG A 76 -1.097 -3.754 -6.693 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.637 -3.882 -8.389 1.00 0.00 N ATOM 0 H ARG A 76 -5.652 -3.917 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.103 -2.366 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.202 -4.721 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.784 -3.740 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.670 -1.762 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.204 -2.632 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.334 -2.488 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.786 -4.150 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.292 -3.404 -6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.876 -3.610 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.350 -3.945 -7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.603 -3.836 -8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.886 -4.073 -9.052 1.00 0.00 H new ATOM 897 N ASP A 77 -7.682 -5.642 -3.642 1.00 0.00 N ATOM 898 CA ASP A 77 -8.655 -6.682 -3.958 1.00 0.00 C ATOM 899 C ASP A 77 -10.043 -6.254 -3.504 1.00 0.00 C ATOM 900 O ASP A 77 -11.044 -6.557 -4.153 1.00 0.00 O ATOM 901 CB ASP A 77 -8.265 -7.999 -3.285 1.00 0.00 C ATOM 902 CG ASP A 77 -8.652 -9.208 -4.115 1.00 0.00 C ATOM 903 OD1 ASP A 77 -8.425 -9.184 -5.342 1.00 0.00 O ATOM 904 OD2 ASP A 77 -9.181 -10.180 -3.536 1.00 0.00 O ATOM 0 H ASP A 77 -6.838 -5.982 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.666 -6.832 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.189 -8.010 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.747 -8.062 -2.309 1.00 0.00 H new ATOM 909 N LYS A 78 -10.089 -5.527 -2.392 1.00 0.00 N ATOM 910 CA LYS A 78 -11.346 -5.032 -1.858 1.00 0.00 C ATOM 911 C LYS A 78 -11.905 -3.957 -2.780 1.00 0.00 C ATOM 912 O LYS A 78 -13.104 -3.921 -3.062 1.00 0.00 O ATOM 913 CB LYS A 78 -11.142 -4.475 -0.445 1.00 0.00 C ATOM 914 CG LYS A 78 -11.231 -5.532 0.645 1.00 0.00 C ATOM 915 CD LYS A 78 -12.092 -5.065 1.808 1.00 0.00 C ATOM 916 CE LYS A 78 -11.343 -4.085 2.696 1.00 0.00 C ATOM 917 NZ LYS A 78 -10.590 -4.778 3.778 1.00 0.00 N ATOM 0 H LYS A 78 -9.268 -5.269 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.059 -5.855 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.167 -3.991 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.890 -3.706 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.647 -6.450 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.230 -5.770 1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.997 -4.593 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.406 -5.926 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.651 -3.501 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.050 -3.383 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.093 -4.074 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.253 -5.315 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.897 -5.429 3.357 1.00 0.00 H new ATOM 931 N ILE A 79 -11.017 -3.096 -3.266 1.00 0.00 N ATOM 932 CA ILE A 79 -11.399 -2.031 -4.179 1.00 0.00 C ATOM 933 C ILE A 79 -11.785 -2.614 -5.532 1.00 0.00 C ATOM 934 O ILE A 79 -12.848 -2.308 -6.073 1.00 0.00 O ATOM 935 CB ILE A 79 -10.237 -1.034 -4.355 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.018 -0.251 -3.064 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.487 -0.091 -5.521 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.643 0.364 -2.968 1.00 0.00 C ATOM 0 H ILE A 79 -10.023 -3.118 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.256 -1.505 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.334 -1.601 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.767 0.537 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.172 -0.915 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.649 0.599 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.590 -0.668 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.402 0.473 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.552 0.907 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.889 -0.422 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.493 1.052 -3.800 1.00 0.00 H new ATOM 950 N GLU A 80 -10.918 -3.465 -6.066 1.00 0.00 N ATOM 951 CA GLU A 80 -11.172 -4.101 -7.348 1.00 0.00 C ATOM 952 C GLU A 80 -12.399 -4.997 -7.256 1.00 0.00 C ATOM 953 O GLU A 80 -13.140 -5.154 -8.226 1.00 0.00 O ATOM 954 CB GLU A 80 -9.957 -4.917 -7.792 1.00 0.00 C ATOM 955 CG GLU A 80 -8.683 -4.098 -7.895 1.00 0.00 C ATOM 956 CD GLU A 80 -7.514 -4.903 -8.426 1.00 0.00 C ATOM 957 OE1 GLU A 80 -7.185 -5.944 -7.818 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.927 -4.494 -9.450 1.00 0.00 O ATOM 0 H GLU A 80 -10.034 -3.729 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.357 -3.323 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.799 -5.733 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.168 -5.370 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.857 -3.243 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.430 -3.702 -6.912 1.00 0.00 H new ATOM 965 N SER A 81 -12.618 -5.572 -6.075 1.00 0.00 N ATOM 966 CA SER A 81 -13.768 -6.437 -5.855 1.00 0.00 C ATOM 967 C SER A 81 -15.054 -5.645 -6.051 1.00 0.00 C ATOM 968 O SER A 81 -16.061 -6.174 -6.522 1.00 0.00 O ATOM 969 CB SER A 81 -13.728 -7.036 -4.449 1.00 0.00 C ATOM 970 OG SER A 81 -14.994 -7.553 -4.077 1.00 0.00 O ATOM 0 H SER A 81 -12.015 -5.453 -5.261 1.00 0.00 H new ATOM 0 HA SER A 81 -13.736 -7.253 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.982 -7.830 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.419 -6.273 -3.734 1.00 0.00 H new ATOM 0 HG SER A 81 -14.941 -7.931 -3.175 1.00 0.00 H new ATOM 976 N ASN A 82 -15.000 -4.366 -5.695 1.00 0.00 N ATOM 977 CA ASN A 82 -16.145 -3.479 -5.837 1.00 0.00 C ATOM 978 C ASN A 82 -16.293 -3.036 -7.290 1.00 0.00 C ATOM 979 O ASN A 82 -15.627 -2.102 -7.736 1.00 0.00 O ATOM 980 CB ASN A 82 -15.972 -2.264 -4.926 1.00 0.00 C ATOM 981 CG ASN A 82 -17.259 -1.493 -4.730 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.308 -2.069 -4.441 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.180 -0.180 -4.887 1.00 0.00 N ATOM 0 H ASN A 82 -14.170 -3.920 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.049 -4.014 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.599 -2.593 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.217 -1.602 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.011 0.399 -4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.288 0.252 -5.127 1.00 0.00 H new ATOM 990 N ILE A 83 -17.158 -3.727 -8.027 1.00 0.00 N ATOM 991 CA ILE A 83 -17.389 -3.430 -9.440 1.00 0.00 C ATOM 992 C ILE A 83 -17.511 -1.928 -9.706 1.00 0.00 C ATOM 993 O ILE A 83 -17.152 -1.450 -10.782 1.00 0.00 O ATOM 994 CB ILE A 83 -18.651 -4.161 -9.961 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.542 -4.411 -11.467 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.915 -3.376 -9.635 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.559 -3.148 -12.299 1.00 0.00 C ATOM 0 H ILE A 83 -17.715 -4.502 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.515 -3.793 -9.981 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.717 -5.124 -9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -17.620 -4.956 -11.669 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.366 -5.052 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.785 -3.913 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.002 -3.259 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.864 -2.393 -10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.478 -3.407 -13.355 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -19.492 -2.612 -12.127 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -17.719 -2.514 -12.015 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.012 -1.186 -8.725 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.170 0.257 -8.870 1.00 0.00 C ATOM 1011 C LEU A 84 -16.850 0.923 -9.253 1.00 0.00 C ATOM 1012 O LEU A 84 -16.837 2.038 -9.775 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.707 0.864 -7.575 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.229 0.845 -7.436 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.630 0.806 -5.970 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.841 2.054 -8.128 1.00 0.00 C ATOM 0 H LEU A 84 -18.315 -1.557 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.886 0.436 -9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.273 0.326 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.364 1.896 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.609 -0.056 -7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.717 0.793 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.221 -0.091 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.240 1.688 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.925 2.025 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.455 2.967 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.582 2.037 -9.187 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.740 0.235 -8.996 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.423 0.767 -9.321 1.00 0.00 C ATOM 1030 C ILE A 85 -14.210 0.806 -10.832 1.00 0.00 C ATOM 1031 O ILE A 85 -13.491 1.662 -11.346 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.302 -0.065 -8.661 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.931 0.555 -8.942 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.345 -1.504 -9.148 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.463 1.500 -7.859 1.00 0.00 C ATOM 0 H ILE A 85 -15.728 -0.689 -8.565 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.379 1.783 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.466 -0.062 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.197 -0.243 -9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.971 1.092 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.547 -2.073 -8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.308 -1.946 -8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.210 -1.526 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.485 1.902 -8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.176 2.318 -7.757 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.390 0.962 -6.914 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.845 -0.123 -11.540 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.727 -0.190 -12.992 1.00 0.00 C ATOM 1049 C HIS A 86 -15.736 0.736 -13.668 1.00 0.00 C ATOM 1050 O HIS A 86 -15.529 1.174 -14.799 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.933 -1.626 -13.477 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.898 -2.583 -12.972 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.815 -2.987 -13.724 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.785 -3.219 -11.782 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -12.081 -3.829 -13.019 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -12.648 -3.987 -11.837 1.00 0.00 N ATOM 0 H HIS A 86 -15.446 -0.839 -11.132 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.723 0.138 -13.262 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.918 -1.969 -13.162 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.925 -1.637 -14.567 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.463 -3.137 -10.945 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.172 -4.307 -13.353 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -12.298 -4.583 -11.087 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.830 1.029 -12.969 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.869 1.900 -13.506 1.00 0.00 C ATOM 1067 C GLN A 87 -17.482 3.368 -13.342 1.00 0.00 C ATOM 1068 O GLN A 87 -17.579 4.156 -14.283 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.209 1.605 -12.813 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.643 2.649 -11.792 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.009 2.354 -11.203 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.865 3.234 -11.122 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.219 1.110 -10.789 1.00 0.00 N ATOM 0 H GLN A 87 -17.019 0.676 -12.031 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.977 1.702 -14.572 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.984 1.517 -13.574 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.140 0.638 -12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.907 2.695 -10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.660 3.631 -12.266 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.480 0.412 -10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.119 0.852 -10.384 1.00 0.00 H new ATOM 1082 N ASN A 88 -17.049 3.724 -12.139 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.650 5.096 -11.845 1.00 0.00 C ATOM 1084 C ASN A 88 -15.242 5.376 -12.361 1.00 0.00 C ATOM 1085 O ASN A 88 -14.253 5.025 -11.718 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.717 5.358 -10.337 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.863 6.275 -9.959 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.416 6.978 -10.805 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.226 6.275 -8.682 1.00 0.00 N ATOM 0 H ASN A 88 -16.965 3.082 -11.351 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.343 5.766 -12.354 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.826 4.410 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.777 5.800 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.990 6.873 -8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.740 5.677 -8.014 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.161 6.011 -13.527 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.871 6.330 -14.113 1.00 0.00 C ATOM 1098 C GLY A 89 -12.976 7.103 -13.165 1.00 0.00 C ATOM 1099 O GLY A 89 -11.769 6.868 -13.109 1.00 0.00 O ATOM 0 H GLY A 89 -15.966 6.310 -14.077 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.371 5.407 -14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.023 6.914 -15.021 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.569 8.025 -12.414 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.816 8.831 -11.461 1.00 0.00 C ATOM 1105 C LYS A 90 -12.172 7.948 -10.400 1.00 0.00 C ATOM 1106 O LYS A 90 -10.947 7.862 -10.310 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.730 9.863 -10.798 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.005 11.127 -10.362 1.00 0.00 C ATOM 1109 CD LYS A 90 -12.509 11.019 -8.930 1.00 0.00 C ATOM 1110 CE LYS A 90 -11.200 11.767 -8.736 1.00 0.00 C ATOM 1111 NZ LYS A 90 -11.037 12.250 -7.338 1.00 0.00 N ATOM 0 H LYS A 90 -14.567 8.232 -12.447 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.028 9.353 -12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.525 10.132 -11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.206 9.409 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.162 11.312 -11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.675 11.982 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.262 11.420 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.372 9.970 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.367 11.113 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.162 12.615 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.132 12.755 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.818 12.895 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.047 11.439 -6.687 1.00 0.00 H new ATOM 1125 N LEU A 91 -13.004 7.293 -9.595 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.513 6.417 -8.539 1.00 0.00 C ATOM 1127 C LEU A 91 -11.590 5.343 -9.098 1.00 0.00 C ATOM 1128 O LEU A 91 -10.562 5.024 -8.501 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.681 5.764 -7.807 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.196 6.549 -6.605 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.407 5.856 -6.004 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.094 6.715 -5.565 1.00 0.00 C ATOM 0 H LEU A 91 -14.020 7.353 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.944 7.027 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.501 5.624 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.375 4.773 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.499 7.541 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.765 6.427 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.197 5.791 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.129 4.853 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.478 7.277 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.759 5.733 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.255 7.253 -6.006 1.00 0.00 H new ATOM 1144 N SER A 92 -11.959 4.790 -10.250 1.00 0.00 N ATOM 1145 CA SER A 92 -11.155 3.754 -10.891 1.00 0.00 C ATOM 1146 C SER A 92 -9.690 4.168 -10.925 1.00 0.00 C ATOM 1147 O SER A 92 -8.794 3.358 -10.690 1.00 0.00 O ATOM 1148 CB SER A 92 -11.657 3.487 -12.312 1.00 0.00 C ATOM 1149 OG SER A 92 -11.164 4.458 -13.219 1.00 0.00 O ATOM 0 H SER A 92 -12.807 5.041 -10.758 1.00 0.00 H new ATOM 0 HA SER A 92 -11.250 2.837 -10.310 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.342 2.494 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.747 3.495 -12.323 1.00 0.00 H new ATOM 0 HG SER A 92 -11.330 5.355 -12.860 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.460 5.446 -11.202 1.00 0.00 N ATOM 1156 CA ALA A 93 -8.111 5.988 -11.250 1.00 0.00 C ATOM 1157 C ALA A 93 -7.556 6.164 -9.842 1.00 0.00 C ATOM 1158 O ALA A 93 -6.351 6.050 -9.617 1.00 0.00 O ATOM 1159 CB ALA A 93 -8.102 7.313 -11.996 1.00 0.00 C ATOM 0 H ALA A 93 -10.194 6.127 -11.397 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.473 5.284 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.086 7.708 -12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.461 7.160 -13.014 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.753 8.023 -11.485 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.451 6.438 -8.895 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.066 6.625 -7.500 1.00 0.00 C ATOM 1167 C ASP A 94 -7.166 5.489 -7.026 1.00 0.00 C ATOM 1168 O ASP A 94 -5.969 5.676 -6.818 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.310 6.704 -6.613 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.248 7.858 -5.632 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -9.657 8.977 -6.006 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.789 7.643 -4.491 1.00 0.00 O ATOM 0 H ASP A 94 -9.451 6.535 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.512 7.561 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.194 6.812 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.421 5.769 -6.064 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.757 4.311 -6.862 1.00 0.00 N ATOM 1178 CA PHE A 95 -7.024 3.134 -6.413 1.00 0.00 C ATOM 1179 C PHE A 95 -5.858 2.825 -7.350 1.00 0.00 C ATOM 1180 O PHE A 95 -4.757 2.503 -6.902 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.981 1.938 -6.317 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.464 0.671 -6.943 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.699 0.404 -8.283 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.748 -0.250 -6.195 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.229 -0.757 -8.865 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.276 -1.411 -6.772 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.516 -1.666 -8.108 1.00 0.00 C ATOM 0 H PHE A 95 -8.749 4.146 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.607 3.334 -5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.198 1.746 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.924 2.205 -6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.256 1.112 -8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.557 -0.057 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.419 -0.954 -9.910 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.719 -2.121 -6.179 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.147 -2.575 -8.560 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.108 2.922 -8.653 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.081 2.648 -9.653 1.00 0.00 C ATOM 1199 C LYS A 96 -3.811 3.445 -9.369 1.00 0.00 C ATOM 1200 O LYS A 96 -2.700 2.934 -9.512 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.603 2.974 -11.053 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.566 1.933 -11.598 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.322 2.450 -12.813 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.009 1.633 -14.056 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.855 0.411 -14.145 1.00 0.00 N ATOM 0 H LYS A 96 -7.013 3.188 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.836 1.587 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.102 3.943 -11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.758 3.068 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.014 1.033 -11.868 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.276 1.651 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.394 2.418 -12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.061 3.494 -12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.164 2.247 -14.943 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.957 1.347 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.611 -0.118 -15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.688 -0.188 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.858 0.685 -14.180 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.984 4.696 -8.959 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.851 5.561 -8.647 1.00 0.00 C ATOM 1221 C ASN A 97 -2.151 5.090 -7.379 1.00 0.00 C ATOM 1222 O ASN A 97 -0.927 5.166 -7.266 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.317 7.007 -8.471 1.00 0.00 C ATOM 1224 CG ASN A 97 -3.662 7.669 -9.790 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -4.806 8.061 -10.021 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.671 7.797 -10.664 1.00 0.00 N ATOM 0 H ASN A 97 -4.897 5.134 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.147 5.512 -9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.190 7.027 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.534 7.580 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.843 8.235 -11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.738 7.458 -10.430 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.939 4.603 -6.428 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.401 4.117 -5.165 1.00 0.00 C ATOM 1235 C LEU A 98 -1.652 2.809 -5.370 1.00 0.00 C ATOM 1236 O LEU A 98 -0.471 2.703 -5.043 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.529 3.927 -4.153 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.527 5.082 -4.082 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.815 4.641 -3.407 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.915 6.268 -3.356 1.00 0.00 C ATOM 0 H LEU A 98 -3.954 4.534 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.700 4.857 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.069 3.013 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.091 3.782 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.769 5.390 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.511 5.479 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.262 3.825 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.597 4.302 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.639 7.082 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.642 5.973 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.025 6.601 -3.889 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.338 1.816 -5.925 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.715 0.523 -6.184 1.00 0.00 C ATOM 1254 C LYS A 99 -0.487 0.709 -7.061 1.00 0.00 C ATOM 1255 O LYS A 99 0.519 0.019 -6.900 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.700 -0.435 -6.862 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.591 0.233 -7.898 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.622 -0.551 -9.201 1.00 0.00 C ATOM 1259 CE LYS A 99 -2.759 0.106 -10.266 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.297 -0.874 -11.288 1.00 0.00 N ATOM 0 H LYS A 99 -3.317 1.880 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.418 0.088 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.140 -1.238 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.328 -0.896 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.603 0.324 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.232 1.244 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.272 -1.568 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.649 -0.625 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.325 0.900 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.895 0.574 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.712 -0.387 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.735 -1.618 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.121 -1.303 -11.756 1.00 0.00 H new ATOM 1274 N THR A 100 -0.577 1.663 -7.980 1.00 0.00 N ATOM 1275 CA THR A 100 0.523 1.968 -8.879 1.00 0.00 C ATOM 1276 C THR A 100 1.698 2.536 -8.092 1.00 0.00 C ATOM 1277 O THR A 100 2.807 2.004 -8.142 1.00 0.00 O ATOM 1278 CB THR A 100 0.061 2.958 -9.954 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.666 2.289 -10.969 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.192 3.708 -10.626 1.00 0.00 C ATOM 0 H THR A 100 -1.406 2.240 -8.120 1.00 0.00 H new ATOM 0 HA THR A 100 0.849 1.051 -9.371 1.00 0.00 H new ATOM 0 HB THR A 100 -0.559 3.680 -9.422 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.621 2.488 -10.872 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.784 4.388 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.745 4.278 -9.879 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.863 2.998 -11.110 1.00 0.00 H new ATOM 1288 N LYS A 101 1.445 3.614 -7.356 1.00 0.00 N ATOM 1289 CA LYS A 101 2.485 4.239 -6.552 1.00 0.00 C ATOM 1290 C LYS A 101 3.001 3.250 -5.514 1.00 0.00 C ATOM 1291 O LYS A 101 4.194 3.210 -5.217 1.00 0.00 O ATOM 1292 CB LYS A 101 1.954 5.511 -5.876 1.00 0.00 C ATOM 1293 CG LYS A 101 1.154 5.260 -4.606 1.00 0.00 C ATOM 1294 CD LYS A 101 0.831 6.561 -3.887 1.00 0.00 C ATOM 1295 CE LYS A 101 1.871 6.883 -2.826 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.954 7.758 -3.355 1.00 0.00 N ATOM 0 H LYS A 101 0.534 4.069 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 101 3.311 4.525 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.797 6.160 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.327 6.050 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.229 4.740 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.719 4.606 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.783 7.375 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.153 6.487 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.388 7.374 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.305 5.956 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.462 8.199 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.618 7.188 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.539 8.499 -3.956 1.00 0.00 H new ATOM 1310 N TYR A 102 2.088 2.445 -4.977 1.00 0.00 N ATOM 1311 CA TYR A 102 2.438 1.442 -3.979 1.00 0.00 C ATOM 1312 C TYR A 102 3.454 0.457 -4.549 1.00 0.00 C ATOM 1313 O TYR A 102 4.375 0.029 -3.854 1.00 0.00 O ATOM 1314 CB TYR A 102 1.174 0.711 -3.501 1.00 0.00 C ATOM 1315 CG TYR A 102 1.414 -0.692 -2.976 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.214 -0.918 -1.860 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.834 -1.790 -3.599 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.428 -2.201 -1.383 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.044 -3.072 -3.127 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.840 -3.271 -2.021 1.00 0.00 C ATOM 1321 OH TYR A 102 2.051 -4.546 -1.553 1.00 0.00 O ATOM 0 H TYR A 102 1.097 2.469 -5.218 1.00 0.00 H new ATOM 0 HA TYR A 102 2.893 1.939 -3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.704 1.303 -2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.466 0.659 -4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.675 -0.080 -1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.209 -1.639 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.052 -2.361 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.586 -3.914 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 102 2.008 -5.180 -2.299 1.00 0.00 H new ATOM 1331 N GLN A 103 3.284 0.106 -5.821 1.00 0.00 N ATOM 1332 CA GLN A 103 4.195 -0.823 -6.479 1.00 0.00 C ATOM 1333 C GLN A 103 5.612 -0.266 -6.487 1.00 0.00 C ATOM 1334 O GLN A 103 6.577 -0.993 -6.273 1.00 0.00 O ATOM 1335 CB GLN A 103 3.736 -1.101 -7.913 1.00 0.00 C ATOM 1336 CG GLN A 103 2.423 -1.861 -8.001 1.00 0.00 C ATOM 1337 CD GLN A 103 2.490 -3.031 -8.964 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.714 -4.172 -8.559 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.294 -2.751 -10.247 1.00 0.00 N ATOM 0 H GLN A 103 2.528 0.449 -6.413 1.00 0.00 H new ATOM 0 HA GLN A 103 4.188 -1.759 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.632 -0.153 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.510 -1.670 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.151 -2.226 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.633 -1.179 -8.317 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.111 -1.790 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.326 -3.497 -10.942 1.00 0.00 H new ATOM 1348 N SER A 104 5.733 1.030 -6.731 1.00 0.00 N ATOM 1349 CA SER A 104 7.037 1.674 -6.755 1.00 0.00 C ATOM 1350 C SER A 104 7.682 1.622 -5.376 1.00 0.00 C ATOM 1351 O SER A 104 8.902 1.520 -5.249 1.00 0.00 O ATOM 1352 CB SER A 104 6.899 3.128 -7.199 1.00 0.00 C ATOM 1353 OG SER A 104 7.970 3.510 -8.044 1.00 0.00 O ATOM 0 H SER A 104 4.947 1.654 -6.914 1.00 0.00 H new ATOM 0 HA SER A 104 7.670 1.140 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.953 3.263 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.874 3.777 -6.324 1.00 0.00 H new ATOM 0 HG SER A 104 7.856 4.445 -8.315 1.00 0.00 H new ATOM 1359 N LEU A 105 6.848 1.703 -4.346 1.00 0.00 N ATOM 1360 CA LEU A 105 7.323 1.675 -2.971 1.00 0.00 C ATOM 1361 C LEU A 105 7.959 0.340 -2.636 1.00 0.00 C ATOM 1362 O LEU A 105 9.071 0.288 -2.111 1.00 0.00 O ATOM 1363 CB LEU A 105 6.170 1.949 -2.008 1.00 0.00 C ATOM 1364 CG LEU A 105 5.419 3.252 -2.259 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.182 3.336 -1.377 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.340 4.435 -2.017 1.00 0.00 C ATOM 0 H LEU A 105 5.836 1.789 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 105 8.079 2.453 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.463 1.122 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.561 1.962 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 105 5.090 3.275 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.660 4.273 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.520 2.499 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.479 3.296 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.797 5.362 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.693 4.417 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.193 4.376 -2.693 1.00 0.00 H new ATOM 1378 N GLN A 106 7.254 -0.741 -2.937 1.00 0.00 N ATOM 1379 CA GLN A 106 7.783 -2.071 -2.652 1.00 0.00 C ATOM 1380 C GLN A 106 9.102 -2.273 -3.386 1.00 0.00 C ATOM 1381 O GLN A 106 10.081 -2.728 -2.806 1.00 0.00 O ATOM 1382 CB GLN A 106 6.799 -3.187 -3.039 1.00 0.00 C ATOM 1383 CG GLN A 106 5.772 -2.799 -4.087 1.00 0.00 C ATOM 1384 CD GLN A 106 4.937 -3.978 -4.547 1.00 0.00 C ATOM 1385 OE1 GLN A 106 5.043 -4.420 -5.691 1.00 0.00 O ATOM 1386 NE2 GLN A 106 4.101 -4.494 -3.654 1.00 0.00 N ATOM 0 H GLN A 106 6.331 -0.728 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 106 7.941 -2.132 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.368 -4.041 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.275 -3.516 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.116 -2.030 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.281 -2.362 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.046 -4.095 -2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.514 -5.289 -3.905 1.00 0.00 H new ATOM 1395 N GLN A 107 9.111 -1.930 -4.668 1.00 0.00 N ATOM 1396 CA GLN A 107 10.305 -2.074 -5.498 1.00 0.00 C ATOM 1397 C GLN A 107 11.471 -1.240 -4.975 1.00 0.00 C ATOM 1398 O GLN A 107 12.598 -1.726 -4.895 1.00 0.00 O ATOM 1399 CB GLN A 107 10.007 -1.677 -6.947 1.00 0.00 C ATOM 1400 CG GLN A 107 8.674 -2.188 -7.468 1.00 0.00 C ATOM 1401 CD GLN A 107 8.832 -3.169 -8.613 1.00 0.00 C ATOM 1402 OE1 GLN A 107 8.608 -4.369 -8.453 1.00 0.00 O ATOM 1403 NE2 GLN A 107 9.220 -2.663 -9.778 1.00 0.00 N ATOM 0 H GLN A 107 8.302 -1.548 -5.159 1.00 0.00 H new ATOM 0 HA GLN A 107 10.593 -3.125 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.023 -0.590 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.804 -2.055 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.131 -2.669 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.070 -1.343 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.395 -1.662 -9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.343 -3.275 -10.584 1.00 0.00 H new ATOM 1412 N SER A 108 11.206 0.018 -4.634 1.00 0.00 N ATOM 1413 CA SER A 108 12.256 0.902 -4.138 1.00 0.00 C ATOM 1414 C SER A 108 12.829 0.386 -2.824 1.00 0.00 C ATOM 1415 O SER A 108 14.024 0.518 -2.555 1.00 0.00 O ATOM 1416 CB SER A 108 11.708 2.317 -3.945 1.00 0.00 C ATOM 1417 OG SER A 108 11.884 3.096 -5.115 1.00 0.00 O ATOM 0 H SER A 108 10.282 0.445 -4.691 1.00 0.00 H new ATOM 0 HA SER A 108 13.056 0.924 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.649 2.269 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.214 2.795 -3.106 1.00 0.00 H new ATOM 0 HG SER A 108 11.524 3.995 -4.966 1.00 0.00 H new ATOM 1423 N TYR A 109 11.960 -0.188 -2.007 1.00 0.00 N ATOM 1424 CA TYR A 109 12.351 -0.714 -0.707 1.00 0.00 C ATOM 1425 C TYR A 109 12.915 -2.130 -0.811 1.00 0.00 C ATOM 1426 O TYR A 109 13.933 -2.441 -0.192 1.00 0.00 O ATOM 1427 CB TYR A 109 11.137 -0.657 0.222 1.00 0.00 C ATOM 1428 CG TYR A 109 10.828 -1.923 0.990 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.775 -2.524 1.808 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.571 -2.501 0.905 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.477 -3.670 2.517 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.263 -3.643 1.608 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.219 -4.227 2.415 1.00 0.00 C ATOM 1434 OH TYR A 109 9.915 -5.368 3.120 1.00 0.00 O ATOM 0 H TYR A 109 10.970 -0.302 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 109 13.154 -0.102 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.290 0.150 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.262 -0.394 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.760 -2.088 1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.820 -2.047 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.224 -4.128 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.279 -4.080 1.529 1.00 0.00 H new ATOM 0 HH TYR A 109 10.440 -5.391 3.947 1.00 0.00 H new ATOM 1444 N ASN A 110 12.259 -2.988 -1.587 1.00 0.00 N ATOM 1445 CA ASN A 110 12.726 -4.363 -1.741 1.00 0.00 C ATOM 1446 C ASN A 110 14.192 -4.372 -2.145 1.00 0.00 C ATOM 1447 O ASN A 110 15.005 -5.101 -1.582 1.00 0.00 O ATOM 1448 CB ASN A 110 11.853 -5.127 -2.755 1.00 0.00 C ATOM 1449 CG ASN A 110 12.501 -5.347 -4.115 1.00 0.00 C ATOM 1450 OD1 ASN A 110 13.671 -5.715 -4.217 1.00 0.00 O ATOM 1451 ND2 ASN A 110 11.723 -5.142 -5.172 1.00 0.00 N ATOM 0 H ASN A 110 11.415 -2.761 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 110 12.635 -4.877 -0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.592 -6.097 -2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.921 -4.580 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 110 12.090 -5.290 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.758 -4.837 -5.044 1.00 0.00 H new ATOM 1458 N GLN A 111 14.528 -3.539 -3.114 1.00 0.00 N ATOM 1459 CA GLN A 111 15.908 -3.442 -3.566 1.00 0.00 C ATOM 1460 C GLN A 111 16.790 -2.984 -2.416 1.00 0.00 C ATOM 1461 O GLN A 111 17.763 -3.645 -2.055 1.00 0.00 O ATOM 1462 CB GLN A 111 16.044 -2.463 -4.732 1.00 0.00 C ATOM 1463 CG GLN A 111 15.444 -1.091 -4.478 1.00 0.00 C ATOM 1464 CD GLN A 111 15.206 -0.320 -5.760 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.109 -0.341 -6.318 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.241 0.361 -6.238 1.00 0.00 N ATOM 0 H GLN A 111 13.874 -2.925 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 111 16.222 -4.428 -3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.101 -2.345 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.567 -2.897 -5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.501 -1.203 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.110 -0.520 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.132 0.350 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.145 0.895 -7.101 1.00 0.00 H new ATOM 1475 N ARG A 112 16.421 -1.846 -1.843 1.00 0.00 N ATOM 1476 CA ARG A 112 17.145 -1.262 -0.720 1.00 0.00 C ATOM 1477 C ARG A 112 17.360 -2.284 0.392 1.00 0.00 C ATOM 1478 O ARG A 112 18.426 -2.328 1.007 1.00 0.00 O ATOM 1479 CB ARG A 112 16.378 -0.056 -0.173 1.00 0.00 C ATOM 1480 CG ARG A 112 16.926 1.281 -0.643 1.00 0.00 C ATOM 1481 CD ARG A 112 16.431 2.423 0.231 1.00 0.00 C ATOM 1482 NE ARG A 112 15.708 3.430 -0.542 1.00 0.00 N ATOM 1483 CZ ARG A 112 16.301 4.381 -1.260 1.00 0.00 C ATOM 1484 NH1 ARG A 112 17.625 4.458 -1.308 1.00 0.00 N ATOM 1485 NH2 ARG A 112 15.568 5.257 -1.933 1.00 0.00 N ATOM 0 H ARG A 112 15.612 -1.302 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 112 18.122 -0.940 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.333 -0.135 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.401 -0.085 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 112 18.016 1.255 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.626 1.456 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.779 2.027 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.279 2.890 0.732 1.00 0.00 H new ATOM 0 HE ARG A 112 14.688 3.403 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 112 18.194 3.786 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 112 18.074 5.189 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 112 14.550 5.202 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 112 16.022 5.986 -2.483 1.00 0.00 H new ATOM 1499 N LYS A 113 16.342 -3.100 0.652 1.00 0.00 N ATOM 1500 CA LYS A 113 16.436 -4.114 1.699 1.00 0.00 C ATOM 1501 C LYS A 113 17.521 -5.133 1.364 1.00 0.00 C ATOM 1502 O LYS A 113 18.138 -5.716 2.255 1.00 0.00 O ATOM 1503 CB LYS A 113 15.077 -4.797 1.927 1.00 0.00 C ATOM 1504 CG LYS A 113 14.752 -5.931 0.964 1.00 0.00 C ATOM 1505 CD LYS A 113 14.028 -7.064 1.670 1.00 0.00 C ATOM 1506 CE LYS A 113 12.524 -6.843 1.673 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.848 -7.608 0.589 1.00 0.00 N ATOM 0 H LYS A 113 15.450 -3.080 0.157 1.00 0.00 H new ATOM 0 HA LYS A 113 16.716 -3.621 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.050 -5.187 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.293 -4.043 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 113 14.134 -5.553 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.673 -6.307 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.258 -8.008 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.388 -7.145 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.115 -7.142 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.313 -5.780 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.838 -7.712 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.950 -7.098 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.283 -8.549 0.505 1.00 0.00 H new ATOM 1521 N SER A 114 17.757 -5.329 0.071 1.00 0.00 N ATOM 1522 CA SER A 114 18.780 -6.260 -0.389 1.00 0.00 C ATOM 1523 C SER A 114 20.163 -5.622 -0.290 1.00 0.00 C ATOM 1524 O SER A 114 21.174 -6.316 -0.175 1.00 0.00 O ATOM 1525 CB SER A 114 18.503 -6.685 -1.831 1.00 0.00 C ATOM 1526 OG SER A 114 17.506 -7.690 -1.886 1.00 0.00 O ATOM 0 H SER A 114 17.252 -4.854 -0.678 1.00 0.00 H new ATOM 0 HA SER A 114 18.754 -7.143 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.184 -5.820 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 114 19.421 -7.055 -2.287 1.00 0.00 H new ATOM 0 HG SER A 114 17.347 -7.942 -2.820 1.00 0.00 H new