USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 96 LYS NZ :NH3+ 137:sc= -1.14 (180deg=-3.13!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 MET CE :methyl 144:sc= -0.687 (180deg=-0.654) USER MOD Set 2.2: A 90 GLN : amide:sc= -2.55 K(o=-3.2,f=-0.42) USER MOD Set 3.1: A 70 ASN : amide:sc= -0.155 X(o=-0.46,f=-0.51) USER MOD Set 3.2: A 71 GLN : amide:sc= -0.309 X(o=-0.46,f=-0.25) USER MOD Single : A 10 LYS NZ :NH3+ -138:sc= -1.33 (180deg=-3.05!) USER MOD Single : A 13 SER OG : rot -86:sc= 1.25 USER MOD Single : A 17 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.034) USER MOD Single : A 21 GLN : amide:sc= -1.97 K(o=-2,f=-0.89) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.39) USER MOD Single : A 40 TYR OH : rot 74:sc= -0.22 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0534 (180deg=-0.346) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0767 (180deg=-0.361) USER MOD Single : A 61 SER OG : rot 140:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.57! C(o=-2.6!,f=-5.8!) USER MOD Single : A 80 THR OG1 : rot -37:sc= 0.653 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= -0.141 (180deg=-0.721) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.596 K(o=-0.6,f=-5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -29:sc= 0.0777 USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 7.379 -2.586 10.034 1.00 1.01 N ATOM 104 CA GLY A 9 6.417 -3.562 9.561 1.00 1.09 C ATOM 105 C GLY A 9 4.988 -3.084 9.718 1.00 1.08 C ATOM 106 O GLY A 9 4.081 -3.590 9.058 1.00 1.26 O ATOM 0 HA2 GLY A 9 6.611 -3.781 8.511 1.00 1.09 H new ATOM 0 HA3 GLY A 9 6.548 -4.494 10.111 1.00 1.09 H new ATOM 110 N LYS A 10 4.788 -2.105 10.597 1.00 1.12 N ATOM 111 CA LYS A 10 3.458 -1.559 10.849 1.00 1.33 C ATOM 112 C LYS A 10 3.101 -0.432 9.872 1.00 1.14 C ATOM 113 O LYS A 10 2.029 -0.460 9.270 1.00 1.22 O ATOM 114 CB LYS A 10 3.354 -1.060 12.295 1.00 1.68 C ATOM 115 CG LYS A 10 1.992 -0.477 12.648 1.00 2.23 C ATOM 116 CD LYS A 10 0.875 -1.501 12.495 1.00 3.07 C ATOM 117 CE LYS A 10 0.982 -2.620 13.521 1.00 3.89 C ATOM 118 NZ LYS A 10 1.941 -3.680 13.099 1.00 4.57 N ATOM 0 H LYS A 10 5.531 -1.674 11.147 1.00 1.12 H new ATOM 0 HA LYS A 10 2.741 -2.365 10.692 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.571 -1.887 12.971 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.118 -0.301 12.463 1.00 1.68 H new ATOM 0 HG2 LYS A 10 2.010 -0.111 13.674 1.00 2.23 H new ATOM 0 HG3 LYS A 10 1.788 0.381 12.007 1.00 2.23 H new ATOM 0 HD2 LYS A 10 -0.089 -1.004 12.600 1.00 3.07 H new ATOM 0 HD3 LYS A 10 0.907 -1.925 11.491 1.00 3.07 H new ATOM 0 HE2 LYS A 10 1.300 -2.205 14.477 1.00 3.89 H new ATOM 0 HE3 LYS A 10 -0.002 -3.063 13.677 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 1.542 -4.616 13.315 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 2.113 -3.605 12.076 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 2.838 -3.560 13.611 1.00 4.57 H new ATOM 132 N PRO A 11 3.983 0.580 9.693 1.00 1.03 N ATOM 133 CA PRO A 11 3.707 1.701 8.785 1.00 1.05 C ATOM 134 C PRO A 11 3.497 1.255 7.341 1.00 0.77 C ATOM 135 O PRO A 11 2.863 1.957 6.555 1.00 0.72 O ATOM 136 CB PRO A 11 4.955 2.584 8.893 1.00 1.20 C ATOM 137 CG PRO A 11 5.619 2.172 10.160 1.00 1.49 C ATOM 138 CD PRO A 11 5.301 0.716 10.340 1.00 1.15 C ATOM 0 HA PRO A 11 2.785 2.212 9.060 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.615 2.439 8.038 1.00 1.20 H new ATOM 0 HB3 PRO A 11 4.689 3.641 8.914 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.696 2.332 10.106 1.00 1.49 H new ATOM 0 HG3 PRO A 11 5.251 2.759 11.002 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.049 0.079 9.869 1.00 1.15 H new ATOM 0 HD3 PRO A 11 5.264 0.439 11.393 1.00 1.15 H new ATOM 146 N LEU A 12 4.032 0.090 6.991 1.00 0.70 N ATOM 147 CA LEU A 12 3.885 -0.433 5.635 1.00 0.57 C ATOM 148 C LEU A 12 2.412 -0.635 5.294 1.00 0.48 C ATOM 149 O LEU A 12 2.045 -0.732 4.125 1.00 0.53 O ATOM 150 CB LEU A 12 4.656 -1.745 5.472 1.00 0.61 C ATOM 151 CG LEU A 12 4.701 -2.291 4.043 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.951 -1.817 3.318 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.630 -3.809 4.048 1.00 0.91 C ATOM 0 H LEU A 12 4.568 -0.507 7.621 1.00 0.70 H new ATOM 0 HA LEU A 12 4.303 0.298 4.943 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.678 -1.595 5.821 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.205 -2.497 6.119 1.00 0.61 H new ATOM 0 HG LEU A 12 3.833 -1.906 3.507 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.959 -2.219 2.305 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.956 -0.728 3.276 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.835 -2.164 3.853 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.663 -4.178 3.023 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.476 -4.211 4.606 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.700 -4.128 4.519 1.00 0.91 H new ATOM 165 N SER A 13 1.571 -0.708 6.320 1.00 0.52 N ATOM 166 CA SER A 13 0.139 -0.886 6.117 1.00 0.61 C ATOM 167 C SER A 13 -0.457 0.351 5.459 1.00 0.58 C ATOM 168 O SER A 13 -1.463 0.271 4.752 1.00 0.69 O ATOM 169 CB SER A 13 -0.561 -1.159 7.447 1.00 0.78 C ATOM 170 OG SER A 13 -0.451 -0.050 8.322 1.00 1.39 O ATOM 0 H SER A 13 1.856 -0.647 7.298 1.00 0.52 H new ATOM 0 HA SER A 13 -0.012 -1.744 5.461 1.00 0.61 H new ATOM 0 HB2 SER A 13 -1.613 -1.381 7.268 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.124 -2.040 7.916 1.00 0.78 H new ATOM 0 HG SER A 13 0.393 -0.106 8.816 1.00 1.39 H new ATOM 176 N GLY A 14 0.175 1.494 5.699 1.00 0.56 N ATOM 177 CA GLY A 14 -0.290 2.740 5.124 1.00 0.59 C ATOM 178 C GLY A 14 0.405 3.061 3.816 1.00 0.55 C ATOM 179 O GLY A 14 0.400 4.206 3.366 1.00 0.58 O ATOM 0 H GLY A 14 1.006 1.579 6.285 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.366 2.682 4.957 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.120 3.551 5.832 1.00 0.59 H new ATOM 183 N LEU A 15 1.013 2.045 3.209 1.00 0.52 N ATOM 184 CA LEU A 15 1.707 2.218 1.940 1.00 0.52 C ATOM 185 C LEU A 15 0.724 2.638 0.857 1.00 0.46 C ATOM 186 O LEU A 15 0.827 3.727 0.300 1.00 0.47 O ATOM 187 CB LEU A 15 2.397 0.916 1.529 1.00 0.57 C ATOM 188 CG LEU A 15 3.890 1.030 1.202 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.134 2.060 0.113 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.685 1.375 2.449 1.00 1.10 C ATOM 0 H LEU A 15 1.038 1.094 3.577 1.00 0.52 H new ATOM 0 HA LEU A 15 2.460 2.996 2.063 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.274 0.191 2.334 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.882 0.513 0.657 1.00 0.57 H new ATOM 0 HG LEU A 15 4.228 0.062 0.832 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.202 2.120 -0.099 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.601 1.767 -0.791 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.775 3.034 0.446 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.743 1.452 2.197 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.338 2.327 2.850 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.546 0.594 3.197 1.00 1.10 H new ATOM 202 N LEU A 16 -0.237 1.763 0.578 1.00 0.45 N ATOM 203 CA LEU A 16 -1.252 2.031 -0.436 1.00 0.42 C ATOM 204 C LEU A 16 -1.985 3.329 -0.115 1.00 0.40 C ATOM 205 O LEU A 16 -2.598 3.945 -0.986 1.00 0.41 O ATOM 206 CB LEU A 16 -2.255 0.869 -0.526 1.00 0.47 C ATOM 207 CG LEU A 16 -1.660 -0.548 -0.455 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.327 -0.622 -1.189 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.507 -1.000 0.991 1.00 0.92 C ATOM 0 H LEU A 16 -0.335 0.860 1.041 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.754 2.131 -1.400 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.979 0.978 0.282 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.805 0.963 -1.462 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.354 -1.226 -0.952 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.070 -1.635 -1.122 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.473 -0.358 -2.236 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.378 0.074 -0.735 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.085 -2.005 1.015 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.844 -0.314 1.518 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.483 -1.005 1.476 1.00 0.92 H new ATOM 221 N ASN A 17 -1.915 3.732 1.150 1.00 0.40 N ATOM 222 CA ASN A 17 -2.555 4.958 1.608 1.00 0.42 C ATOM 223 C ASN A 17 -1.778 6.182 1.130 1.00 0.38 C ATOM 224 O ASN A 17 -2.340 7.082 0.507 1.00 0.42 O ATOM 225 CB ASN A 17 -2.654 4.957 3.135 1.00 0.47 C ATOM 226 CG ASN A 17 -3.770 4.065 3.648 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.364 4.336 4.692 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.062 2.992 2.918 1.00 2.33 N ATOM 0 H ASN A 17 -1.417 3.222 1.880 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.559 5.004 1.187 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.705 4.624 3.556 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.819 5.976 3.485 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.802 2.358 3.217 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -3.545 2.804 2.059 1.00 2.33 H new ATOM 235 N ALA A 18 -0.482 6.208 1.431 1.00 0.37 N ATOM 236 CA ALA A 18 0.380 7.313 1.023 1.00 0.37 C ATOM 237 C ALA A 18 0.525 7.349 -0.495 1.00 0.38 C ATOM 238 O ALA A 18 0.491 8.413 -1.112 1.00 0.44 O ATOM 239 CB ALA A 18 1.747 7.181 1.672 1.00 0.42 C ATOM 0 H ALA A 18 -0.006 5.475 1.957 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.080 8.245 1.351 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.380 8.011 1.359 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.638 7.196 2.756 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.205 6.240 1.367 1.00 0.42 H new ATOM 245 N LEU A 19 0.674 6.167 -1.083 1.00 0.42 N ATOM 246 CA LEU A 19 0.837 6.022 -2.527 1.00 0.48 C ATOM 247 C LEU A 19 -0.306 6.679 -3.296 1.00 0.52 C ATOM 248 O LEU A 19 -0.234 6.832 -4.515 1.00 0.69 O ATOM 249 CB LEU A 19 0.922 4.539 -2.891 1.00 0.51 C ATOM 250 CG LEU A 19 2.170 3.815 -2.382 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.059 2.318 -2.631 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.416 4.378 -3.047 1.00 0.94 C ATOM 0 H LEU A 19 0.685 5.283 -0.574 1.00 0.42 H new ATOM 0 HA LEU A 19 1.761 6.527 -2.810 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.041 4.033 -2.496 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.884 4.445 -3.976 1.00 0.51 H new ATOM 0 HG LEU A 19 2.250 3.977 -1.307 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.956 1.820 -2.262 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.186 1.926 -2.109 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.955 2.134 -3.700 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.296 3.853 -2.675 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.344 4.245 -4.126 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.503 5.440 -2.817 1.00 0.94 H new ATOM 264 N ALA A 20 -1.362 7.061 -2.582 1.00 0.54 N ATOM 265 CA ALA A 20 -2.514 7.698 -3.205 1.00 0.64 C ATOM 266 C ALA A 20 -2.149 9.057 -3.800 1.00 0.78 C ATOM 267 O ALA A 20 -2.315 10.092 -3.155 1.00 1.59 O ATOM 268 CB ALA A 20 -3.644 7.848 -2.198 1.00 0.76 C ATOM 0 H ALA A 20 -1.442 6.940 -1.572 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.848 7.057 -4.021 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.498 8.326 -2.678 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.937 6.864 -1.831 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.308 8.462 -1.362 1.00 0.76 H new ATOM 274 N GLN A 21 -1.643 9.043 -5.030 1.00 0.71 N ATOM 275 CA GLN A 21 -1.265 10.274 -5.718 1.00 0.81 C ATOM 276 C GLN A 21 -2.451 10.848 -6.487 1.00 1.05 C ATOM 277 O GLN A 21 -2.763 12.034 -6.376 1.00 1.54 O ATOM 278 CB GLN A 21 -0.099 10.020 -6.676 1.00 1.12 C ATOM 279 CG GLN A 21 1.197 9.641 -5.977 1.00 1.08 C ATOM 280 CD GLN A 21 2.363 9.516 -6.940 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.188 9.152 -8.102 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.563 9.825 -6.460 1.00 1.21 N ATOM 0 H GLN A 21 -1.485 8.193 -5.571 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.951 10.997 -4.965 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.375 9.223 -7.367 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.070 10.916 -7.274 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.432 10.392 -5.223 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.060 8.695 -5.453 1.00 1.08 H new ATOM 0 HE21 GLN A 21 3.663 10.123 -5.489 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.384 9.765 -7.062 1.00 1.21 H new ATOM 404 N ILE A 30 -3.085 15.206 -0.683 1.00 1.02 N ATOM 405 CA ILE A 30 -1.992 14.243 -0.634 1.00 0.84 C ATOM 406 C ILE A 30 -1.064 14.404 -1.837 1.00 0.87 C ATOM 407 O ILE A 30 -1.299 13.840 -2.906 1.00 1.18 O ATOM 408 CB ILE A 30 -2.526 12.794 -0.557 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.382 11.785 -0.681 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.579 12.552 -1.631 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.705 10.434 -0.079 1.00 0.75 C ATOM 0 HA ILE A 30 -1.419 14.444 0.271 1.00 0.84 H new ATOM 0 HB ILE A 30 -2.994 12.655 0.417 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.134 11.655 -1.735 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.496 12.190 -0.193 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.942 11.527 -1.560 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.410 13.242 -1.488 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.139 12.714 -2.615 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.851 9.768 -0.202 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -1.924 10.552 0.982 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -2.573 10.009 -0.584 1.00 0.75 H new ATOM 423 N THR A 31 -0.011 15.195 -1.653 1.00 0.88 N ATOM 424 CA THR A 31 0.959 15.443 -2.712 1.00 0.97 C ATOM 425 C THR A 31 1.958 14.293 -2.809 1.00 0.86 C ATOM 426 O THR A 31 2.129 13.529 -1.860 1.00 0.78 O ATOM 427 CB THR A 31 1.722 16.763 -2.471 1.00 1.07 C ATOM 428 OG1 THR A 31 0.795 17.820 -2.200 1.00 1.72 O ATOM 429 CG2 THR A 31 2.576 17.135 -3.676 1.00 1.06 C ATOM 0 H THR A 31 0.192 15.676 -0.777 1.00 0.88 H new ATOM 0 HA THR A 31 0.407 15.521 -3.648 1.00 0.97 H new ATOM 0 HB THR A 31 2.379 16.619 -1.613 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.286 18.654 -2.046 1.00 1.72 H new ATOM 0 HG21 THR A 31 3.101 18.069 -3.476 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.302 16.344 -3.866 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.937 17.258 -4.551 1.00 1.06 H new ATOM 437 N GLU A 32 2.605 14.166 -3.963 1.00 0.93 N ATOM 438 CA GLU A 32 3.586 13.109 -4.170 1.00 0.95 C ATOM 439 C GLU A 32 4.710 13.201 -3.142 1.00 0.84 C ATOM 440 O GLU A 32 5.082 12.203 -2.525 1.00 0.91 O ATOM 441 CB GLU A 32 4.159 13.186 -5.586 1.00 1.15 C ATOM 442 CG GLU A 32 3.100 13.083 -6.671 1.00 1.47 C ATOM 443 CD GLU A 32 3.683 13.161 -8.067 1.00 1.59 C ATOM 444 OE1 GLU A 32 3.846 14.287 -8.582 1.00 1.98 O ATOM 445 OE2 GLU A 32 3.975 12.095 -8.649 1.00 1.56 O ATOM 0 H GLU A 32 2.468 14.780 -4.766 1.00 0.93 H new ATOM 0 HA GLU A 32 3.084 12.150 -4.044 1.00 0.95 H new ATOM 0 HB2 GLU A 32 4.697 14.127 -5.702 1.00 1.15 H new ATOM 0 HB3 GLU A 32 4.886 12.385 -5.720 1.00 1.15 H new ATOM 0 HG2 GLU A 32 2.561 12.142 -6.559 1.00 1.47 H new ATOM 0 HG3 GLU A 32 2.373 13.884 -6.540 1.00 1.47 H new ATOM 452 N GLU A 33 5.247 14.403 -2.958 1.00 0.80 N ATOM 453 CA GLU A 33 6.319 14.616 -1.993 1.00 0.79 C ATOM 454 C GLU A 33 5.820 14.336 -0.580 1.00 0.64 C ATOM 455 O GLU A 33 6.610 14.180 0.352 1.00 0.70 O ATOM 456 CB GLU A 33 6.849 16.048 -2.086 1.00 0.97 C ATOM 457 CG GLU A 33 7.385 16.410 -3.460 1.00 1.63 C ATOM 458 CD GLU A 33 7.916 17.829 -3.520 1.00 2.05 C ATOM 459 OE1 GLU A 33 7.116 18.750 -3.783 1.00 2.64 O ATOM 460 OE2 GLU A 33 9.131 18.018 -3.305 1.00 2.36 O ATOM 0 H GLU A 33 4.959 15.241 -3.462 1.00 0.80 H new ATOM 0 HA GLU A 33 7.132 13.928 -2.225 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.049 16.740 -1.823 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.641 16.182 -1.349 1.00 0.97 H new ATOM 0 HG2 GLU A 33 8.181 15.716 -3.731 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.593 16.290 -4.199 1.00 1.63 H new ATOM 467 N LEU A 34 4.500 14.278 -0.435 1.00 0.54 N ATOM 468 CA LEU A 34 3.876 14.018 0.856 1.00 0.49 C ATOM 469 C LEU A 34 3.802 12.521 1.138 1.00 0.43 C ATOM 470 O LEU A 34 4.064 12.081 2.255 1.00 0.46 O ATOM 471 CB LEU A 34 2.472 14.619 0.892 1.00 0.57 C ATOM 472 CG LEU A 34 1.816 14.650 2.270 1.00 0.91 C ATOM 473 CD1 LEU A 34 2.483 15.689 3.159 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.332 14.933 2.130 1.00 1.48 C ATOM 0 H LEU A 34 3.839 14.409 -1.201 1.00 0.54 H new ATOM 0 HA LEU A 34 4.490 14.484 1.627 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.520 15.637 0.506 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.833 14.051 0.215 1.00 0.57 H new ATOM 0 HG LEU A 34 1.942 13.675 2.741 1.00 0.91 H new ATOM 0 HD11 LEU A 34 2.001 15.695 4.136 1.00 1.75 H new ATOM 0 HD12 LEU A 34 3.538 15.444 3.277 1.00 1.75 H new ATOM 0 HD13 LEU A 34 2.388 16.674 2.702 1.00 1.75 H new ATOM 0 HD21 LEU A 34 -0.129 14.954 3.117 1.00 1.48 H new ATOM 0 HD22 LEU A 34 0.190 15.898 1.643 1.00 1.48 H new ATOM 0 HD23 LEU A 34 -0.132 14.151 1.529 1.00 1.48 H new ATOM 486 N LEU A 35 3.447 11.745 0.112 1.00 0.45 N ATOM 487 CA LEU A 35 3.327 10.299 0.233 1.00 0.49 C ATOM 488 C LEU A 35 4.523 9.701 0.973 1.00 0.43 C ATOM 489 O LEU A 35 4.395 8.702 1.679 1.00 0.50 O ATOM 490 CB LEU A 35 3.182 9.680 -1.164 1.00 0.63 C ATOM 491 CG LEU A 35 4.483 9.272 -1.862 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.849 7.836 -1.519 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.352 9.434 -3.368 1.00 1.08 C ATOM 0 H LEU A 35 3.237 12.103 -0.820 1.00 0.45 H new ATOM 0 HA LEU A 35 2.438 10.070 0.820 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.546 8.799 -1.084 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.660 10.393 -1.802 1.00 0.63 H new ATOM 0 HG LEU A 35 5.279 9.926 -1.507 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.776 7.566 -2.025 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.983 7.742 -0.441 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.051 7.169 -1.845 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.285 9.140 -3.848 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.542 8.803 -3.733 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.135 10.476 -3.604 1.00 1.08 H new ATOM 505 N ARG A 36 5.683 10.325 0.810 1.00 0.38 N ATOM 506 CA ARG A 36 6.898 9.862 1.465 1.00 0.38 C ATOM 507 C ARG A 36 6.902 10.249 2.942 1.00 0.34 C ATOM 508 O ARG A 36 6.934 9.388 3.820 1.00 0.37 O ATOM 509 CB ARG A 36 8.127 10.449 0.767 1.00 0.46 C ATOM 510 CG ARG A 36 9.389 10.425 1.615 1.00 1.18 C ATOM 511 CD ARG A 36 10.508 11.220 0.965 1.00 1.73 C ATOM 512 NE ARG A 36 11.686 11.317 1.822 1.00 2.64 N ATOM 513 CZ ARG A 36 12.726 12.104 1.556 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.726 12.860 0.466 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.764 12.136 2.381 1.00 4.28 N ATOM 0 H ARG A 36 5.807 11.154 0.229 1.00 0.38 H new ATOM 0 HA ARG A 36 6.931 8.775 1.395 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.309 9.894 -0.153 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.913 11.479 0.481 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.174 10.836 2.602 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.711 9.394 1.762 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.785 10.749 0.022 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.150 12.222 0.728 1.00 1.73 H new ATOM 0 HE ARG A 36 11.714 10.751 2.670 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.928 12.839 -0.169 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.524 13.463 0.263 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.766 11.557 3.221 1.00 4.28 H new ATOM 0 HH22 ARG A 36 14.560 12.740 2.176 1.00 4.28 H new ATOM 529 N SER A 37 6.869 11.552 3.201 1.00 0.36 N ATOM 530 CA SER A 37 6.879 12.067 4.566 1.00 0.40 C ATOM 531 C SER A 37 5.736 11.484 5.396 1.00 0.40 C ATOM 532 O SER A 37 5.790 11.487 6.626 1.00 0.46 O ATOM 533 CB SER A 37 6.777 13.593 4.555 1.00 0.47 C ATOM 534 OG SER A 37 6.786 14.115 5.872 1.00 1.33 O ATOM 0 H SER A 37 6.835 12.273 2.481 1.00 0.36 H new ATOM 0 HA SER A 37 7.821 11.765 5.024 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.609 14.012 3.989 1.00 0.47 H new ATOM 0 HB3 SER A 37 5.861 13.896 4.047 1.00 0.47 H new ATOM 0 HG SER A 37 6.721 15.092 5.837 1.00 1.33 H new ATOM 540 N GLN A 38 4.707 10.984 4.718 1.00 0.36 N ATOM 541 CA GLN A 38 3.547 10.414 5.396 1.00 0.39 C ATOM 542 C GLN A 38 3.927 9.237 6.291 1.00 0.43 C ATOM 543 O GLN A 38 3.490 9.162 7.439 1.00 0.67 O ATOM 544 CB GLN A 38 2.493 9.972 4.378 1.00 0.42 C ATOM 545 CG GLN A 38 1.630 11.110 3.859 1.00 0.74 C ATOM 546 CD GLN A 38 0.808 11.764 4.954 1.00 1.11 C ATOM 547 OE1 GLN A 38 -0.316 11.347 5.234 1.00 1.74 O ATOM 548 NE2 GLN A 38 1.365 12.795 5.578 1.00 1.84 N ATOM 0 H GLN A 38 4.653 10.962 3.700 1.00 0.36 H new ATOM 0 HA GLN A 38 3.132 11.196 6.031 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.992 9.493 3.536 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.850 9.220 4.837 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.267 11.860 3.391 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.962 10.731 3.085 1.00 0.74 H new ATOM 0 HE21 GLN A 38 2.299 13.107 5.313 1.00 1.84 H new ATOM 0 HE22 GLN A 38 0.859 13.275 6.322 1.00 1.84 H new ATOM 557 N LEU A 39 4.741 8.319 5.772 1.00 0.41 N ATOM 558 CA LEU A 39 5.143 7.150 6.549 1.00 0.53 C ATOM 559 C LEU A 39 6.639 6.859 6.427 1.00 0.51 C ATOM 560 O LEU A 39 7.302 6.590 7.430 1.00 0.61 O ATOM 561 CB LEU A 39 4.325 5.930 6.122 1.00 0.69 C ATOM 562 CG LEU A 39 2.811 6.084 6.289 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.152 6.431 4.961 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.211 4.814 6.872 1.00 1.07 C ATOM 0 H LEU A 39 5.130 8.361 4.830 1.00 0.41 H new ATOM 0 HA LEU A 39 4.945 7.370 7.598 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.541 5.713 5.076 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.655 5.068 6.701 1.00 0.69 H new ATOM 0 HG LEU A 39 2.624 6.904 6.982 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.077 6.535 5.105 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.561 7.369 4.586 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.346 5.637 4.240 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.134 4.939 6.985 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.411 3.977 6.203 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.657 4.615 7.846 1.00 1.07 H new ATOM 576 N TYR A 40 7.168 6.902 5.206 1.00 0.46 N ATOM 577 CA TYR A 40 8.591 6.641 4.985 1.00 0.48 C ATOM 578 C TYR A 40 9.332 7.913 4.582 1.00 0.42 C ATOM 579 O TYR A 40 9.549 8.155 3.399 1.00 0.46 O ATOM 580 CB TYR A 40 8.795 5.569 3.908 1.00 0.58 C ATOM 581 CG TYR A 40 7.688 5.502 2.879 1.00 0.63 C ATOM 582 CD1 TYR A 40 7.747 6.269 1.725 1.00 0.89 C ATOM 583 CD2 TYR A 40 6.587 4.671 3.061 1.00 0.99 C ATOM 584 CE1 TYR A 40 6.744 6.212 0.779 1.00 1.30 C ATOM 585 CE2 TYR A 40 5.580 4.610 2.118 1.00 1.38 C ATOM 586 CZ TYR A 40 5.663 5.380 0.980 1.00 1.48 C ATOM 587 OH TYR A 40 4.660 5.319 0.040 1.00 1.97 O ATOM 0 H TYR A 40 6.639 7.113 4.360 1.00 0.46 H new ATOM 0 HA TYR A 40 9.000 6.279 5.928 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.739 5.759 3.397 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.884 4.597 4.392 1.00 0.58 H new ATOM 0 HD1 TYR A 40 8.592 6.922 1.564 1.00 0.89 H new ATOM 0 HD2 TYR A 40 6.519 4.065 3.952 1.00 0.99 H new ATOM 0 HE1 TYR A 40 6.805 6.816 -0.114 1.00 1.30 H new ATOM 0 HE2 TYR A 40 4.731 3.961 2.273 1.00 1.38 H new ATOM 0 HH TYR A 40 4.976 4.823 -0.744 1.00 1.97 H new ATOM 597 N PRO A 41 9.737 8.741 5.564 1.00 0.47 N ATOM 598 CA PRO A 41 10.452 9.989 5.294 1.00 0.51 C ATOM 599 C PRO A 41 11.941 9.774 5.029 1.00 0.57 C ATOM 600 O PRO A 41 12.701 10.736 4.913 1.00 0.79 O ATOM 601 CB PRO A 41 10.252 10.778 6.586 1.00 0.66 C ATOM 602 CG PRO A 41 10.169 9.736 7.647 1.00 0.75 C ATOM 603 CD PRO A 41 9.523 8.533 7.010 1.00 0.62 C ATOM 0 HA PRO A 41 10.081 10.487 4.398 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.081 11.463 6.766 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.344 11.380 6.548 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.160 9.489 8.028 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.581 10.090 8.494 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.981 7.605 7.352 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.462 8.473 7.253 1.00 0.62 H new ATOM 611 N GLU A 42 12.356 8.513 4.932 1.00 0.48 N ATOM 612 CA GLU A 42 13.760 8.197 4.684 1.00 0.55 C ATOM 613 C GLU A 42 14.006 7.888 3.209 1.00 0.57 C ATOM 614 O GLU A 42 15.053 8.238 2.663 1.00 0.71 O ATOM 615 CB GLU A 42 14.214 7.018 5.549 1.00 0.59 C ATOM 616 CG GLU A 42 13.527 5.705 5.216 1.00 0.58 C ATOM 617 CD GLU A 42 14.199 4.516 5.875 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.987 4.311 7.089 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.942 3.793 5.180 1.00 0.94 O ATOM 0 H GLU A 42 11.746 7.700 5.020 1.00 0.48 H new ATOM 0 HA GLU A 42 14.346 9.076 4.953 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.291 6.891 5.436 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.029 7.257 6.596 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.486 5.752 5.534 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.524 5.564 4.135 1.00 0.58 H new ATOM 626 N VAL A 43 13.045 7.228 2.568 1.00 0.52 N ATOM 627 CA VAL A 43 13.174 6.883 1.157 1.00 0.60 C ATOM 628 C VAL A 43 12.640 8.017 0.279 1.00 0.51 C ATOM 629 O VAL A 43 11.601 8.598 0.585 1.00 0.52 O ATOM 630 CB VAL A 43 12.431 5.565 0.823 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.004 5.833 0.364 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.191 4.771 -0.228 1.00 0.99 C ATOM 0 H VAL A 43 12.173 6.923 3.001 1.00 0.52 H new ATOM 0 HA VAL A 43 14.234 6.736 0.951 1.00 0.60 H new ATOM 0 HB VAL A 43 12.381 4.972 1.736 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.511 4.888 0.138 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.458 6.347 1.155 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.020 6.457 -0.530 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.652 3.849 -0.448 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.281 5.365 -1.138 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.185 4.529 0.147 1.00 0.99 H new ATOM 642 N PRO A 44 13.346 8.360 -0.815 1.00 0.56 N ATOM 643 CA PRO A 44 12.917 9.428 -1.725 1.00 0.54 C ATOM 644 C PRO A 44 11.457 9.275 -2.155 1.00 0.54 C ATOM 645 O PRO A 44 10.936 8.161 -2.203 1.00 0.60 O ATOM 646 CB PRO A 44 13.839 9.252 -2.926 1.00 0.64 C ATOM 647 CG PRO A 44 15.077 8.651 -2.359 1.00 0.67 C ATOM 648 CD PRO A 44 14.619 7.749 -1.247 1.00 0.76 C ATOM 0 HA PRO A 44 12.977 10.411 -1.257 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.391 8.603 -3.679 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.047 10.206 -3.410 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.623 8.091 -3.118 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.751 9.422 -1.985 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.477 6.725 -1.593 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.344 7.713 -0.434 1.00 0.76 H new ATOM 656 N PRO A 45 10.776 10.392 -2.471 1.00 0.56 N ATOM 657 CA PRO A 45 9.376 10.370 -2.896 1.00 0.67 C ATOM 658 C PRO A 45 9.216 9.911 -4.343 1.00 0.77 C ATOM 659 O PRO A 45 8.108 9.611 -4.788 1.00 1.08 O ATOM 660 CB PRO A 45 8.919 11.832 -2.753 1.00 0.72 C ATOM 661 CG PRO A 45 10.064 12.565 -2.129 1.00 0.63 C ATOM 662 CD PRO A 45 11.296 11.763 -2.433 1.00 0.56 C ATOM 0 HA PRO A 45 8.791 9.669 -2.301 1.00 0.67 H new ATOM 0 HB2 PRO A 45 8.666 12.258 -3.724 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.026 11.902 -2.132 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.147 13.573 -2.535 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.921 12.665 -1.053 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.746 12.053 -3.382 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.061 11.887 -1.666 1.00 0.56 H new ATOM 670 N GLU A 46 10.328 9.855 -5.073 1.00 0.65 N ATOM 671 CA GLU A 46 10.296 9.445 -6.475 1.00 0.77 C ATOM 672 C GLU A 46 11.123 8.182 -6.711 1.00 0.71 C ATOM 673 O GLU A 46 10.733 7.317 -7.495 1.00 0.81 O ATOM 674 CB GLU A 46 10.809 10.579 -7.366 1.00 0.92 C ATOM 675 CG GLU A 46 10.668 10.297 -8.852 1.00 1.61 C ATOM 676 CD GLU A 46 9.230 10.043 -9.266 1.00 2.17 C ATOM 677 OE1 GLU A 46 8.483 11.028 -9.446 1.00 2.25 O ATOM 678 OE2 GLU A 46 8.852 8.861 -9.406 1.00 3.02 O ATOM 0 H GLU A 46 11.256 10.087 -4.720 1.00 0.65 H new ATOM 0 HA GLU A 46 9.261 9.220 -6.732 1.00 0.77 H new ATOM 0 HB2 GLU A 46 10.266 11.493 -7.125 1.00 0.92 H new ATOM 0 HB3 GLU A 46 11.859 10.762 -7.138 1.00 0.92 H new ATOM 0 HG2 GLU A 46 11.061 11.143 -9.417 1.00 1.61 H new ATOM 0 HG3 GLU A 46 11.275 9.430 -9.112 1.00 1.61 H new ATOM 685 N GLU A 47 12.263 8.080 -6.033 1.00 0.63 N ATOM 686 CA GLU A 47 13.135 6.918 -6.179 1.00 0.66 C ATOM 687 C GLU A 47 12.574 5.719 -5.423 1.00 0.55 C ATOM 688 O GLU A 47 13.239 4.695 -5.280 1.00 0.59 O ATOM 689 CB GLU A 47 14.544 7.236 -5.675 1.00 0.81 C ATOM 690 CG GLU A 47 15.219 8.372 -6.427 1.00 1.25 C ATOM 691 CD GLU A 47 16.598 8.691 -5.884 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.563 8.002 -6.275 1.00 1.62 O ATOM 693 OE2 GLU A 47 16.713 9.627 -5.065 1.00 1.58 O ATOM 0 H GLU A 47 12.604 8.785 -5.379 1.00 0.63 H new ATOM 0 HA GLU A 47 13.186 6.669 -7.239 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.493 7.492 -4.617 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.160 6.341 -5.757 1.00 0.81 H new ATOM 0 HG2 GLU A 47 15.300 8.108 -7.481 1.00 1.25 H new ATOM 0 HG3 GLU A 47 14.594 9.263 -6.369 1.00 1.25 H new ATOM 700 N PHE A 48 11.352 5.862 -4.924 1.00 0.48 N ATOM 701 CA PHE A 48 10.692 4.790 -4.190 1.00 0.45 C ATOM 702 C PHE A 48 10.113 3.748 -5.144 1.00 0.41 C ATOM 703 O PHE A 48 9.896 2.597 -4.765 1.00 0.45 O ATOM 704 CB PHE A 48 9.588 5.364 -3.297 1.00 0.54 C ATOM 705 CG PHE A 48 8.904 4.335 -2.442 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.644 3.426 -1.706 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.520 4.278 -2.375 1.00 1.41 C ATOM 708 CE1 PHE A 48 9.019 2.479 -0.919 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.889 3.333 -1.589 1.00 2.36 C ATOM 710 CZ PHE A 48 7.637 2.434 -0.862 1.00 3.35 C ATOM 0 H PHE A 48 10.797 6.713 -5.015 1.00 0.48 H new ATOM 0 HA PHE A 48 11.436 4.298 -3.563 1.00 0.45 H new ATOM 0 HB2 PHE A 48 10.017 6.131 -2.653 1.00 0.54 H new ATOM 0 HB3 PHE A 48 8.844 5.854 -3.925 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.723 3.458 -1.748 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.929 4.980 -2.944 1.00 1.41 H new ATOM 0 HE1 PHE A 48 9.607 1.775 -0.349 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.810 3.299 -1.545 1.00 2.36 H new ATOM 0 HZ PHE A 48 7.145 1.694 -0.248 1.00 3.35 H new ATOM 720 N ARG A 49 9.862 4.166 -6.384 1.00 0.43 N ATOM 721 CA ARG A 49 9.297 3.284 -7.406 1.00 0.47 C ATOM 722 C ARG A 49 10.011 1.929 -7.466 1.00 0.49 C ATOM 723 O ARG A 49 9.350 0.892 -7.441 1.00 0.52 O ATOM 724 CB ARG A 49 9.348 3.960 -8.771 1.00 0.58 C ATOM 725 CG ARG A 49 8.578 5.268 -8.824 1.00 1.06 C ATOM 726 CD ARG A 49 7.079 5.029 -8.908 1.00 1.14 C ATOM 727 NE ARG A 49 6.719 4.225 -10.072 1.00 1.80 N ATOM 728 CZ ARG A 49 5.527 3.658 -10.238 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.584 3.811 -9.319 1.00 2.42 N ATOM 730 NH2 ARG A 49 5.280 2.938 -11.323 1.00 3.07 N ATOM 0 H ARG A 49 10.042 5.117 -6.707 1.00 0.43 H new ATOM 0 HA ARG A 49 8.260 3.094 -7.129 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.388 4.148 -9.037 1.00 0.58 H new ATOM 0 HB3 ARG A 49 8.946 3.279 -9.521 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.804 5.861 -7.937 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.904 5.849 -9.687 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.740 4.527 -8.002 1.00 1.14 H new ATOM 0 HD3 ARG A 49 6.561 5.987 -8.954 1.00 1.14 H new ATOM 0 HE ARG A 49 7.421 4.090 -10.799 1.00 1.80 H new ATOM 0 HH11 ARG A 49 4.772 4.364 -8.483 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.671 3.376 -9.448 1.00 2.42 H new ATOM 0 HH21 ARG A 49 6.004 2.818 -12.031 1.00 3.07 H new ATOM 0 HH22 ARG A 49 4.366 2.504 -11.450 1.00 3.07 H new ATOM 744 N PRO A 50 11.360 1.899 -7.570 1.00 0.52 N ATOM 745 CA PRO A 50 12.096 0.637 -7.618 1.00 0.59 C ATOM 746 C PRO A 50 11.701 -0.270 -6.466 1.00 0.58 C ATOM 747 O PRO A 50 11.645 -1.491 -6.613 1.00 0.68 O ATOM 748 CB PRO A 50 13.571 1.047 -7.513 1.00 0.63 C ATOM 749 CG PRO A 50 13.566 2.497 -7.153 1.00 0.58 C ATOM 750 CD PRO A 50 12.265 3.055 -7.656 1.00 0.54 C ATOM 0 HA PRO A 50 11.887 0.073 -8.527 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.088 0.458 -6.755 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.091 0.880 -8.456 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.654 2.630 -6.075 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.412 3.013 -7.608 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.918 3.887 -7.043 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.352 3.426 -8.677 1.00 0.54 H new ATOM 758 N PHE A 51 11.427 0.337 -5.315 1.00 0.49 N ATOM 759 CA PHE A 51 11.004 -0.415 -4.150 1.00 0.51 C ATOM 760 C PHE A 51 9.545 -0.814 -4.316 1.00 0.45 C ATOM 761 O PHE A 51 9.107 -1.840 -3.799 1.00 0.52 O ATOM 762 CB PHE A 51 11.188 0.412 -2.877 1.00 0.60 C ATOM 763 CG PHE A 51 11.628 -0.405 -1.698 1.00 0.99 C ATOM 764 CD1 PHE A 51 10.714 -1.158 -0.978 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.957 -0.421 -1.311 1.00 1.44 C ATOM 766 CE1 PHE A 51 11.120 -1.912 0.106 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.369 -1.172 -0.228 1.00 2.02 C ATOM 768 CZ PHE A 51 12.450 -1.920 0.482 1.00 2.20 C ATOM 0 H PHE A 51 11.492 1.344 -5.169 1.00 0.49 H new ATOM 0 HA PHE A 51 11.618 -1.311 -4.060 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.924 1.194 -3.063 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.248 0.909 -2.636 1.00 0.60 H new ATOM 0 HD1 PHE A 51 9.674 -1.155 -1.267 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.680 0.161 -1.863 1.00 1.44 H new ATOM 0 HE1 PHE A 51 10.399 -2.495 0.659 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.409 -1.175 0.064 1.00 2.02 H new ATOM 0 HZ PHE A 51 12.770 -2.509 1.329 1.00 2.20 H new ATOM 778 N LEU A 52 8.795 0.011 -5.049 1.00 0.40 N ATOM 779 CA LEU A 52 7.390 -0.260 -5.305 1.00 0.43 C ATOM 780 C LEU A 52 7.237 -1.421 -6.276 1.00 0.44 C ATOM 781 O LEU A 52 6.158 -1.983 -6.404 1.00 0.50 O ATOM 782 CB LEU A 52 6.688 0.979 -5.870 1.00 0.55 C ATOM 783 CG LEU A 52 6.218 2.000 -4.835 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.536 3.171 -5.524 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.274 1.349 -3.838 1.00 1.15 C ATOM 0 H LEU A 52 9.142 0.871 -5.473 1.00 0.40 H new ATOM 0 HA LEU A 52 6.924 -0.525 -4.356 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.368 1.476 -6.562 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.825 0.653 -6.450 1.00 0.55 H new ATOM 0 HG LEU A 52 7.088 2.372 -4.294 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.206 3.891 -4.776 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.238 3.652 -6.205 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.674 2.811 -6.086 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.949 2.090 -3.108 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.406 0.953 -4.364 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.790 0.537 -3.326 1.00 1.15 H new ATOM 797 N ALA A 53 8.319 -1.783 -6.958 1.00 0.48 N ATOM 798 CA ALA A 53 8.274 -2.892 -7.907 1.00 0.59 C ATOM 799 C ALA A 53 7.656 -4.123 -7.254 1.00 0.60 C ATOM 800 O ALA A 53 7.200 -5.044 -7.932 1.00 0.76 O ATOM 801 CB ALA A 53 9.666 -3.206 -8.428 1.00 0.67 C ATOM 0 H ALA A 53 9.229 -1.331 -6.874 1.00 0.48 H new ATOM 0 HA ALA A 53 7.651 -2.599 -8.752 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.612 -4.035 -9.134 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.073 -2.328 -8.930 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.313 -3.480 -7.595 1.00 0.67 H new ATOM 807 N LYS A 54 7.655 -4.123 -5.925 1.00 0.51 N ATOM 808 CA LYS A 54 7.087 -5.212 -5.147 1.00 0.55 C ATOM 809 C LYS A 54 5.927 -4.706 -4.289 1.00 0.48 C ATOM 810 O LYS A 54 5.173 -5.492 -3.717 1.00 0.57 O ATOM 811 CB LYS A 54 8.162 -5.829 -4.251 1.00 0.62 C ATOM 812 CG LYS A 54 9.328 -6.429 -5.018 1.00 0.76 C ATOM 813 CD LYS A 54 10.466 -6.827 -4.089 1.00 0.94 C ATOM 814 CE LYS A 54 11.114 -5.612 -3.438 1.00 1.21 C ATOM 815 NZ LYS A 54 11.697 -4.686 -4.447 1.00 1.84 N ATOM 0 H LYS A 54 8.047 -3.369 -5.361 1.00 0.51 H new ATOM 0 HA LYS A 54 6.711 -5.971 -5.833 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.540 -5.064 -3.573 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.707 -6.604 -3.634 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.988 -7.304 -5.572 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.691 -5.708 -5.751 1.00 0.76 H new ATOM 0 HD2 LYS A 54 10.087 -7.495 -3.316 1.00 0.94 H new ATOM 0 HD3 LYS A 54 11.217 -7.382 -4.651 1.00 0.94 H new ATOM 0 HE2 LYS A 54 10.372 -5.080 -2.843 1.00 1.21 H new ATOM 0 HE3 LYS A 54 11.895 -5.941 -2.753 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.339 -4.018 -3.975 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.227 -5.233 -5.155 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.933 -4.159 -4.917 1.00 1.84 H new ATOM 829 N MET A 55 5.798 -3.382 -4.210 1.00 0.38 N ATOM 830 CA MET A 55 4.746 -2.749 -3.416 1.00 0.34 C ATOM 831 C MET A 55 3.862 -1.833 -4.268 1.00 0.33 C ATOM 832 O MET A 55 3.193 -0.946 -3.736 1.00 0.35 O ATOM 833 CB MET A 55 5.376 -1.937 -2.278 1.00 0.33 C ATOM 834 CG MET A 55 6.090 -2.782 -1.229 1.00 0.42 C ATOM 835 SD MET A 55 7.651 -3.460 -1.824 1.00 1.95 S ATOM 836 CE MET A 55 8.211 -4.349 -0.375 1.00 2.78 C ATOM 0 H MET A 55 6.413 -2.724 -4.689 1.00 0.38 H new ATOM 0 HA MET A 55 4.116 -3.540 -3.009 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.087 -1.228 -2.703 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.597 -1.353 -1.789 1.00 0.33 H new ATOM 0 HG2 MET A 55 6.277 -2.173 -0.344 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.438 -3.599 -0.922 1.00 0.42 H new ATOM 0 HE1 MET A 55 8.719 -5.263 -0.683 1.00 2.78 H new ATOM 0 HE2 MET A 55 8.901 -3.723 0.192 1.00 2.78 H new ATOM 0 HE3 MET A 55 7.355 -4.603 0.250 1.00 2.78 H new ATOM 846 N ARG A 56 3.848 -2.049 -5.584 1.00 0.37 N ATOM 847 CA ARG A 56 3.037 -1.222 -6.481 1.00 0.42 C ATOM 848 C ARG A 56 1.855 -2.011 -7.028 1.00 0.41 C ATOM 849 O ARG A 56 0.829 -1.435 -7.393 1.00 0.43 O ATOM 850 CB ARG A 56 3.881 -0.662 -7.635 1.00 0.54 C ATOM 851 CG ARG A 56 3.862 -1.506 -8.905 1.00 1.09 C ATOM 852 CD ARG A 56 4.649 -2.796 -8.745 1.00 1.35 C ATOM 853 NE ARG A 56 4.477 -3.685 -9.891 1.00 1.81 N ATOM 854 CZ ARG A 56 4.446 -5.012 -9.801 1.00 2.37 C ATOM 855 NH1 ARG A 56 4.577 -5.605 -8.623 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.284 -5.746 -10.893 1.00 3.05 N ATOM 0 H ARG A 56 4.383 -2.782 -6.050 1.00 0.37 H new ATOM 0 HA ARG A 56 2.655 -0.383 -5.899 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.525 0.340 -7.875 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.912 -0.561 -7.297 1.00 0.54 H new ATOM 0 HG2 ARG A 56 2.831 -1.741 -9.168 1.00 1.09 H new ATOM 0 HG3 ARG A 56 4.278 -0.928 -9.730 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.707 -2.563 -8.622 1.00 1.35 H new ATOM 0 HD3 ARG A 56 4.327 -3.307 -7.838 1.00 1.35 H new ATOM 0 HE ARG A 56 4.375 -3.264 -10.814 1.00 1.81 H new ATOM 0 HH11 ARG A 56 4.702 -5.044 -7.781 1.00 2.58 H new ATOM 0 HH12 ARG A 56 4.553 -6.623 -8.559 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.183 -5.293 -11.801 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.260 -6.763 -10.825 1.00 3.05 H new ATOM 870 N GLY A 57 2.005 -3.330 -7.085 1.00 0.43 N ATOM 871 CA GLY A 57 0.935 -4.174 -7.582 1.00 0.45 C ATOM 872 C GLY A 57 -0.323 -4.041 -6.750 1.00 0.39 C ATOM 873 O GLY A 57 -1.366 -4.595 -7.091 1.00 0.48 O ATOM 0 H GLY A 57 2.847 -3.829 -6.796 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.715 -3.910 -8.617 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.263 -5.214 -7.581 1.00 0.45 H new ATOM 877 N ILE A 58 -0.216 -3.297 -5.654 1.00 0.41 N ATOM 878 CA ILE A 58 -1.340 -3.078 -4.756 1.00 0.39 C ATOM 879 C ILE A 58 -1.940 -1.688 -4.955 1.00 0.40 C ATOM 880 O ILE A 58 -3.143 -1.489 -4.787 1.00 0.47 O ATOM 881 CB ILE A 58 -0.904 -3.213 -3.286 1.00 0.42 C ATOM 882 CG1 ILE A 58 0.037 -4.405 -3.105 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.118 -3.355 -2.387 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.186 -4.126 -2.159 1.00 0.71 C ATOM 0 H ILE A 58 0.646 -2.833 -5.366 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.087 -3.836 -4.990 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.365 -2.308 -3.005 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.533 -5.255 -2.731 1.00 0.53 H new ATOM 0 HG13 ILE A 58 0.438 -4.693 -4.077 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.794 -3.450 -1.351 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.752 -2.474 -2.490 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.681 -4.243 -2.674 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.813 -5.013 -2.077 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.780 -3.296 -2.542 1.00 0.71 H new ATOM 0 HD13 ILE A 58 0.793 -3.867 -1.176 1.00 0.71 H new ATOM 896 N LEU A 59 -1.088 -0.729 -5.311 1.00 0.44 N ATOM 897 CA LEU A 59 -1.522 0.649 -5.520 1.00 0.49 C ATOM 898 C LEU A 59 -2.370 0.781 -6.782 1.00 0.52 C ATOM 899 O LEU A 59 -3.528 1.189 -6.714 1.00 0.56 O ATOM 900 CB LEU A 59 -0.300 1.582 -5.587 1.00 0.58 C ATOM 901 CG LEU A 59 -0.598 3.085 -5.732 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.905 3.445 -7.178 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.748 3.503 -4.823 1.00 1.71 C ATOM 0 H LEU A 59 -0.091 -0.882 -5.461 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.145 0.941 -4.674 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.292 1.436 -4.684 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.321 1.273 -6.428 1.00 0.58 H new ATOM 0 HG LEU A 59 0.295 3.630 -5.428 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.112 4.513 -7.251 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.048 3.198 -7.804 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.776 2.883 -7.516 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.939 4.569 -4.944 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.644 2.942 -5.088 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.485 3.297 -3.785 1.00 1.71 H new ATOM 915 N LYS A 60 -1.792 0.440 -7.931 1.00 0.59 N ATOM 916 CA LYS A 60 -2.510 0.537 -9.199 1.00 0.68 C ATOM 917 C LYS A 60 -3.778 -0.315 -9.173 1.00 0.65 C ATOM 918 O LYS A 60 -4.679 -0.132 -9.990 1.00 0.74 O ATOM 919 CB LYS A 60 -1.603 0.121 -10.367 1.00 0.80 C ATOM 920 CG LYS A 60 -1.749 -1.333 -10.799 1.00 0.92 C ATOM 921 CD LYS A 60 -1.216 -2.293 -9.749 1.00 1.07 C ATOM 922 CE LYS A 60 -1.400 -3.739 -10.181 1.00 1.10 C ATOM 923 NZ LYS A 60 -0.766 -4.011 -11.501 1.00 1.60 N ATOM 0 H LYS A 60 -0.835 0.096 -8.010 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.803 1.577 -9.344 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -1.816 0.763 -11.222 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.565 0.300 -10.085 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -2.800 -1.551 -10.990 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.216 -1.488 -11.737 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.158 -2.095 -9.575 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -1.732 -2.125 -8.804 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -0.969 -4.400 -9.429 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.464 -3.969 -10.236 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.703 -5.038 -11.651 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.340 -3.585 -12.256 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 0.189 -3.600 -11.519 1.00 1.60 H new ATOM 937 N SER A 61 -3.836 -1.244 -8.226 1.00 0.55 N ATOM 938 CA SER A 61 -4.988 -2.127 -8.086 1.00 0.55 C ATOM 939 C SER A 61 -6.156 -1.408 -7.422 1.00 0.57 C ATOM 940 O SER A 61 -7.217 -1.242 -8.016 1.00 0.71 O ATOM 941 CB SER A 61 -4.610 -3.356 -7.260 1.00 0.51 C ATOM 942 OG SER A 61 -3.751 -4.217 -7.987 1.00 1.20 O ATOM 0 H SER A 61 -3.097 -1.406 -7.542 1.00 0.55 H new ATOM 0 HA SER A 61 -5.295 -2.437 -9.085 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.120 -3.042 -6.339 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.512 -3.896 -6.973 1.00 0.51 H new ATOM 0 HG SER A 61 -3.061 -4.573 -7.388 1.00 1.20 H new ATOM 948 N ILE A 62 -5.945 -0.979 -6.188 1.00 0.50 N ATOM 949 CA ILE A 62 -6.977 -0.291 -5.423 1.00 0.56 C ATOM 950 C ILE A 62 -7.316 1.074 -6.020 1.00 0.64 C ATOM 951 O ILE A 62 -8.428 1.575 -5.850 1.00 0.70 O ATOM 952 CB ILE A 62 -6.532 -0.109 -3.959 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.140 -1.463 -3.361 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.638 0.543 -3.139 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.573 -1.371 -1.960 1.00 0.79 C ATOM 0 H ILE A 62 -5.062 -1.096 -5.690 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.871 -0.913 -5.463 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.663 0.549 -3.935 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.017 -2.111 -3.346 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.404 -1.937 -4.010 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.304 0.663 -2.108 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.875 1.520 -3.560 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.527 -0.087 -3.162 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.319 -2.369 -1.604 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.677 -0.750 -1.970 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.314 -0.927 -1.296 1.00 0.79 H new ATOM 967 N ALA A 63 -6.357 1.669 -6.720 1.00 0.68 N ATOM 968 CA ALA A 63 -6.552 2.987 -7.318 1.00 0.79 C ATOM 969 C ALA A 63 -7.256 2.930 -8.675 1.00 0.84 C ATOM 970 O ALA A 63 -8.305 3.545 -8.861 1.00 0.90 O ATOM 971 CB ALA A 63 -5.216 3.699 -7.455 1.00 0.88 C ATOM 0 H ALA A 63 -5.437 1.261 -6.888 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.205 3.544 -6.647 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.371 4.681 -7.902 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.763 3.816 -6.470 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.554 3.111 -8.091 1.00 0.88 H new ATOM 977 N SER A 64 -6.674 2.196 -9.621 1.00 0.88 N ATOM 978 CA SER A 64 -7.234 2.102 -10.969 1.00 1.00 C ATOM 979 C SER A 64 -8.376 1.091 -11.069 1.00 0.96 C ATOM 980 O SER A 64 -9.222 1.198 -11.957 1.00 1.11 O ATOM 981 CB SER A 64 -6.137 1.737 -11.970 1.00 1.13 C ATOM 982 OG SER A 64 -6.646 1.699 -13.291 1.00 1.56 O ATOM 0 H SER A 64 -5.818 1.659 -9.481 1.00 0.88 H new ATOM 0 HA SER A 64 -7.648 3.082 -11.205 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.328 2.465 -11.909 1.00 1.13 H new ATOM 0 HB3 SER A 64 -5.713 0.767 -11.712 1.00 1.13 H new ATOM 0 HG SER A 64 -5.925 1.465 -13.913 1.00 1.56 H new ATOM 988 N ALA A 65 -8.406 0.112 -10.171 1.00 0.84 N ATOM 989 CA ALA A 65 -9.454 -0.906 -10.208 1.00 0.84 C ATOM 990 C ALA A 65 -10.442 -0.761 -9.055 1.00 0.75 C ATOM 991 O ALA A 65 -11.643 -0.964 -9.234 1.00 0.82 O ATOM 992 CB ALA A 65 -8.841 -2.297 -10.208 1.00 0.83 C ATOM 0 H ALA A 65 -7.727 0.000 -9.418 1.00 0.84 H new ATOM 0 HA ALA A 65 -10.013 -0.760 -11.132 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.634 -3.044 -10.236 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.202 -2.413 -11.084 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.246 -2.433 -9.305 1.00 0.83 H new ATOM 998 N ASP A 66 -9.937 -0.409 -7.874 1.00 0.65 N ATOM 999 CA ASP A 66 -10.789 -0.253 -6.696 1.00 0.65 C ATOM 1000 C ASP A 66 -11.600 -1.524 -6.454 1.00 0.66 C ATOM 1001 O ASP A 66 -12.755 -1.623 -6.868 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.732 0.941 -6.869 1.00 0.75 C ATOM 1003 CG ASP A 66 -10.987 2.236 -7.131 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -10.672 2.511 -8.308 1.00 1.53 O ATOM 1005 OD2 ASP A 66 -10.718 2.972 -6.159 1.00 1.08 O ATOM 0 H ASP A 66 -8.947 -0.227 -7.707 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.148 -0.072 -5.833 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -12.414 0.744 -7.696 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.342 1.051 -5.972 1.00 0.75 H new ATOM 1010 N MET A 67 -10.985 -2.497 -5.787 1.00 0.55 N ATOM 1011 CA MET A 67 -11.648 -3.767 -5.506 1.00 0.55 C ATOM 1012 C MET A 67 -12.337 -3.744 -4.145 1.00 0.65 C ATOM 1013 O MET A 67 -12.237 -2.765 -3.404 1.00 0.81 O ATOM 1014 CB MET A 67 -10.635 -4.911 -5.564 1.00 0.49 C ATOM 1015 CG MET A 67 -9.715 -4.840 -6.772 1.00 0.49 C ATOM 1016 SD MET A 67 -8.758 -6.348 -7.012 1.00 1.00 S ATOM 1017 CE MET A 67 -7.807 -5.917 -8.468 1.00 1.52 C ATOM 0 H MET A 67 -10.031 -2.431 -5.432 1.00 0.55 H new ATOM 0 HA MET A 67 -12.413 -3.924 -6.267 1.00 0.55 H new ATOM 0 HB2 MET A 67 -10.032 -4.899 -4.656 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.170 -5.860 -5.579 1.00 0.49 H new ATOM 0 HG2 MET A 67 -10.310 -4.647 -7.665 1.00 0.49 H new ATOM 0 HG3 MET A 67 -9.033 -3.998 -6.655 1.00 0.49 H new ATOM 0 HE1 MET A 67 -7.163 -6.753 -8.742 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.484 -5.695 -9.292 1.00 1.52 H new ATOM 0 HE3 MET A 67 -7.194 -5.041 -8.256 1.00 1.52 H new ATOM 1027 N ASP A 68 -13.036 -4.829 -3.825 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.751 -4.934 -2.558 1.00 0.77 C ATOM 1029 C ASP A 68 -12.857 -5.519 -1.466 1.00 0.67 C ATOM 1030 O ASP A 68 -12.234 -4.781 -0.703 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.005 -5.793 -2.729 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.974 -5.203 -3.734 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.807 -5.462 -4.945 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.901 -4.479 -3.311 1.00 1.91 O ATOM 0 H ASP A 68 -13.122 -5.648 -4.426 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.045 -3.930 -2.252 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.716 -6.794 -3.050 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.504 -5.899 -1.766 1.00 1.02 H new ATOM 1039 N PHE A 69 -12.797 -6.847 -1.396 1.00 0.74 N ATOM 1040 CA PHE A 69 -11.979 -7.520 -0.392 1.00 0.83 C ATOM 1041 C PHE A 69 -11.665 -8.954 -0.807 1.00 0.99 C ATOM 1042 O PHE A 69 -10.556 -9.443 -0.595 1.00 1.85 O ATOM 1043 CB PHE A 69 -12.686 -7.512 0.968 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.012 -8.219 0.967 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.158 -7.572 0.533 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -14.114 -9.532 1.401 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -16.380 -8.220 0.532 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -15.332 -10.185 1.402 1.00 2.52 C ATOM 1049 CZ PHE A 69 -16.466 -9.528 0.967 1.00 3.05 C ATOM 0 H PHE A 69 -13.303 -7.475 -2.020 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.039 -6.974 -0.308 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.036 -7.980 1.708 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -12.836 -6.479 1.283 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.096 -6.549 0.191 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -13.231 -10.051 1.743 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.266 -7.704 0.192 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -15.397 -11.208 1.743 1.00 2.52 H new ATOM 0 HZ PHE A 69 -17.419 -10.036 0.967 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.650 -9.621 -1.401 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.484 -11.001 -1.843 1.00 0.89 C ATOM 1061 C ASN A 70 -11.581 -11.075 -3.071 1.00 0.83 C ATOM 1062 O ASN A 70 -11.148 -12.156 -3.472 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.847 -11.623 -2.156 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.739 -13.075 -2.579 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.615 -13.381 -3.765 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -13.790 -13.980 -1.607 1.00 2.40 N ATOM 0 H ASN A 70 -13.572 -9.227 -1.587 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.013 -11.562 -1.036 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.486 -11.551 -1.276 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.330 -11.052 -2.949 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.726 -14.973 -1.831 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -13.893 -13.681 -0.637 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.297 -9.918 -3.660 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.449 -9.852 -4.844 1.00 0.68 C ATOM 1075 C GLN A 71 -8.981 -9.693 -4.461 1.00 0.58 C ATOM 1076 O GLN A 71 -8.122 -10.432 -4.943 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.884 -8.693 -5.741 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.312 -8.817 -6.245 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.539 -10.085 -7.044 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.375 -10.101 -8.264 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -12.918 -11.157 -6.358 1.00 1.90 N ATOM 0 H GLN A 71 -11.642 -9.014 -3.337 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.559 -10.789 -5.390 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.782 -7.759 -5.188 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.210 -8.633 -6.595 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.996 -8.799 -5.396 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.551 -7.953 -6.865 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -13.042 -11.098 -5.347 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -13.085 -12.039 -6.842 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.701 -8.727 -3.592 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.335 -8.471 -3.148 1.00 0.39 C ATOM 1092 C LEU A 72 -6.845 -9.574 -2.213 1.00 0.41 C ATOM 1093 O LEU A 72 -5.652 -9.873 -2.165 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.243 -7.120 -2.434 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.531 -5.892 -3.295 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.403 -4.637 -2.451 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.590 -5.834 -4.489 1.00 1.06 C ATOM 0 H LEU A 72 -9.401 -8.109 -3.181 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.700 -8.453 -4.034 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.941 -7.125 -1.596 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.242 -7.020 -2.014 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.549 -5.962 -3.678 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.609 -3.762 -3.067 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.117 -4.678 -1.628 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.391 -4.569 -2.051 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -6.815 -4.951 -5.087 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.559 -5.782 -4.138 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.721 -6.728 -5.099 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.774 -10.169 -1.470 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.444 -11.235 -0.526 1.00 0.57 C ATOM 1111 C GLU A 73 -6.594 -12.319 -1.184 1.00 0.59 C ATOM 1112 O GLU A 73 -5.627 -12.803 -0.596 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.722 -11.854 0.044 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.465 -12.945 1.072 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.740 -13.618 1.539 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -10.333 -13.143 2.530 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -10.143 -14.622 0.915 1.00 2.25 O ATOM 0 H GLU A 73 -8.765 -9.931 -1.503 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.864 -10.792 0.284 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.323 -11.069 0.503 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.311 -12.269 -0.774 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.799 -13.694 0.643 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.950 -12.515 1.931 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.960 -12.695 -2.405 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.233 -13.728 -3.134 1.00 0.70 C ATOM 1126 C ALA A 74 -5.003 -13.156 -3.833 1.00 0.57 C ATOM 1127 O ALA A 74 -4.098 -13.898 -4.217 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.149 -14.399 -4.145 1.00 0.89 C ATOM 0 H ALA A 74 -7.754 -12.301 -2.910 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.892 -14.471 -2.413 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.595 -15.168 -4.683 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.992 -14.855 -3.626 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.517 -13.656 -4.852 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.974 -11.838 -3.993 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.856 -11.173 -4.655 1.00 0.46 C ATOM 1136 C PHE A 75 -2.621 -11.132 -3.762 1.00 0.38 C ATOM 1137 O PHE A 75 -1.509 -11.402 -4.217 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.247 -9.754 -5.069 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.130 -8.990 -5.720 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.833 -9.175 -7.061 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.376 -8.086 -4.990 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -1.806 -8.472 -7.661 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.347 -7.380 -5.584 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.063 -7.580 -6.929 1.00 0.91 C ATOM 0 H PHE A 75 -5.711 -11.209 -3.674 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.611 -11.752 -5.546 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.091 -9.804 -5.757 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.585 -9.208 -4.189 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.411 -9.877 -7.644 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.595 -7.931 -3.944 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.588 -8.625 -8.708 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.767 -6.676 -5.005 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.258 -7.034 -7.398 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.816 -10.789 -2.494 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.706 -10.708 -1.551 1.00 0.36 C ATOM 1156 C LEU A 76 -0.979 -12.046 -1.450 1.00 0.40 C ATOM 1157 O LEU A 76 0.250 -12.090 -1.387 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.207 -10.273 -0.172 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.241 -9.389 0.627 1.00 0.55 C ATOM 1160 CD1 LEU A 76 0.087 -10.096 0.853 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.021 -8.064 -0.086 1.00 0.80 C ATOM 0 H LEU A 76 -3.728 -10.563 -2.096 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.002 -9.962 -1.920 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.146 -9.735 -0.298 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.427 -11.165 0.415 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.690 -9.193 1.601 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.753 -9.447 1.422 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.082 -11.019 1.408 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.543 -10.330 -0.109 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.333 -7.449 0.494 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.598 -8.248 -1.074 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.973 -7.544 -0.190 1.00 0.80 H new ATOM 1173 N THR A 77 -1.743 -13.136 -1.437 1.00 0.41 N ATOM 1174 CA THR A 77 -1.163 -14.470 -1.349 1.00 0.49 C ATOM 1175 C THR A 77 -0.176 -14.700 -2.488 1.00 0.47 C ATOM 1176 O THR A 77 0.737 -15.519 -2.380 1.00 0.53 O ATOM 1177 CB THR A 77 -2.251 -15.561 -1.390 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.235 -15.308 -0.378 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.649 -16.943 -1.179 1.00 0.71 C ATOM 0 H THR A 77 -2.762 -13.120 -1.486 1.00 0.41 H new ATOM 0 HA THR A 77 -0.641 -14.535 -0.395 1.00 0.49 H new ATOM 0 HB THR A 77 -2.720 -15.534 -2.374 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.924 -16.004 -0.411 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.439 -17.693 -1.213 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.921 -17.147 -1.965 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.155 -16.980 -0.208 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.365 -13.964 -3.579 1.00 0.45 N ATOM 1188 CA ALA A 78 0.509 -14.075 -4.737 1.00 0.52 C ATOM 1189 C ALA A 78 1.813 -13.324 -4.497 1.00 0.53 C ATOM 1190 O ALA A 78 2.864 -13.704 -5.013 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.191 -13.548 -5.982 1.00 0.60 C ATOM 0 H ALA A 78 -1.118 -13.284 -3.683 1.00 0.45 H new ATOM 0 HA ALA A 78 0.744 -15.128 -4.893 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.476 -13.638 -6.840 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.096 -14.128 -6.164 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.455 -12.501 -5.835 1.00 0.60 H new ATOM 1197 N GLN A 79 1.734 -12.257 -3.707 1.00 0.47 N ATOM 1198 CA GLN A 79 2.909 -11.454 -3.391 1.00 0.53 C ATOM 1199 C GLN A 79 3.852 -12.216 -2.473 1.00 0.54 C ATOM 1200 O GLN A 79 5.019 -11.855 -2.323 1.00 1.06 O ATOM 1201 CB GLN A 79 2.501 -10.142 -2.721 1.00 0.56 C ATOM 1202 CG GLN A 79 1.518 -9.317 -3.531 1.00 0.96 C ATOM 1203 CD GLN A 79 1.493 -7.862 -3.106 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.254 -6.972 -3.921 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.741 -7.611 -1.824 1.00 0.61 N ATOM 0 H GLN A 79 0.870 -11.930 -3.275 1.00 0.47 H new ATOM 0 HA GLN A 79 3.423 -11.234 -4.327 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.060 -10.364 -1.749 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.395 -9.546 -2.537 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.780 -9.379 -4.587 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.519 -9.740 -3.425 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.934 -8.380 -1.182 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.738 -6.650 -1.483 1.00 0.61 H new ATOM 1214 N THR A 80 3.337 -13.274 -1.859 1.00 0.63 N ATOM 1215 CA THR A 80 4.127 -14.084 -0.947 1.00 0.65 C ATOM 1216 C THR A 80 4.576 -15.379 -1.612 1.00 0.64 C ATOM 1217 O THR A 80 5.408 -16.110 -1.075 1.00 0.73 O ATOM 1218 CB THR A 80 3.328 -14.428 0.324 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.300 -15.376 0.015 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.704 -13.176 0.920 1.00 0.44 C ATOM 0 H THR A 80 2.374 -13.590 -1.978 1.00 0.63 H new ATOM 0 HA THR A 80 5.003 -13.495 -0.674 1.00 0.65 H new ATOM 0 HB THR A 80 4.013 -14.860 1.053 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.924 -15.175 -0.867 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.144 -13.440 1.817 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.489 -12.466 1.179 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.031 -12.723 0.192 1.00 0.44 H new ATOM 1228 N LYS A 81 4.015 -15.656 -2.785 1.00 0.68 N ATOM 1229 CA LYS A 81 4.350 -16.865 -3.526 1.00 0.71 C ATOM 1230 C LYS A 81 5.090 -16.533 -4.818 1.00 0.69 C ATOM 1231 O LYS A 81 5.400 -17.423 -5.611 1.00 0.81 O ATOM 1232 CB LYS A 81 3.082 -17.660 -3.838 1.00 0.76 C ATOM 1233 CG LYS A 81 2.395 -18.212 -2.600 1.00 1.54 C ATOM 1234 CD LYS A 81 1.084 -18.898 -2.947 1.00 1.55 C ATOM 1235 CE LYS A 81 0.516 -19.647 -1.753 1.00 2.12 C ATOM 1236 NZ LYS A 81 1.481 -20.642 -1.211 1.00 3.02 N ATOM 0 H LYS A 81 3.326 -15.059 -3.242 1.00 0.68 H new ATOM 0 HA LYS A 81 5.009 -17.470 -2.903 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.384 -17.019 -4.376 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.334 -18.486 -4.503 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.056 -18.921 -2.102 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.207 -17.402 -1.896 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.363 -18.156 -3.289 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.242 -19.592 -3.772 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.251 -18.936 -0.971 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.403 -20.155 -2.047 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 0.968 -21.359 -0.659 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.982 -21.103 -1.997 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 2.169 -20.160 -0.598 1.00 3.02 H new ATOM 1250 N LYS A 82 5.372 -15.250 -5.027 1.00 0.66 N ATOM 1251 CA LYS A 82 6.079 -14.815 -6.225 1.00 0.74 C ATOM 1252 C LYS A 82 7.586 -14.933 -6.035 1.00 0.78 C ATOM 1253 O LYS A 82 8.055 -15.597 -5.110 1.00 0.83 O ATOM 1254 CB LYS A 82 5.712 -13.371 -6.581 1.00 0.72 C ATOM 1255 CG LYS A 82 6.234 -12.340 -5.598 1.00 0.67 C ATOM 1256 CD LYS A 82 6.217 -10.941 -6.199 1.00 0.77 C ATOM 1257 CE LYS A 82 4.805 -10.396 -6.313 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.763 -9.103 -7.049 1.00 1.09 N ATOM 0 H LYS A 82 5.123 -14.498 -4.385 1.00 0.66 H new ATOM 0 HA LYS A 82 5.775 -15.466 -7.045 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.102 -13.142 -7.573 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.627 -13.287 -6.638 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.626 -12.357 -4.694 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.251 -12.599 -5.303 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.816 -10.272 -5.581 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.679 -10.963 -7.186 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.176 -11.124 -6.824 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.388 -10.259 -5.315 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.780 -8.766 -7.104 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.342 -8.399 -6.548 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.137 -9.238 -8.010 1.00 1.09 H new ATOM 1272 N GLN A 83 8.338 -14.284 -6.916 1.00 0.87 N ATOM 1273 CA GLN A 83 9.794 -14.315 -6.849 1.00 0.96 C ATOM 1274 C GLN A 83 10.334 -13.021 -6.253 1.00 0.80 C ATOM 1275 O GLN A 83 10.095 -11.936 -6.782 1.00 0.80 O ATOM 1276 CB GLN A 83 10.378 -14.529 -8.243 1.00 1.22 C ATOM 1277 CG GLN A 83 9.689 -15.634 -9.029 1.00 1.37 C ATOM 1278 CD GLN A 83 9.993 -17.020 -8.490 1.00 1.96 C ATOM 1279 OE1 GLN A 83 10.236 -17.200 -7.297 1.00 2.49 O ATOM 1280 NE2 GLN A 83 9.981 -18.012 -9.373 1.00 2.57 N ATOM 0 H GLN A 83 7.963 -13.729 -7.686 1.00 0.87 H new ATOM 0 HA GLN A 83 10.091 -15.143 -6.205 1.00 0.96 H new ATOM 0 HB2 GLN A 83 10.308 -13.597 -8.804 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.438 -14.766 -8.151 1.00 1.22 H new ATOM 0 HG2 GLN A 83 8.612 -15.470 -9.009 1.00 1.37 H new ATOM 0 HG3 GLN A 83 10.000 -15.579 -10.072 1.00 1.37 H new ATOM 0 HE21 GLN A 83 9.775 -17.820 -10.353 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.178 -18.966 -9.071 1.00 2.57 H new ATOM 1289 N GLY A 84 11.067 -13.144 -5.151 1.00 0.98 N ATOM 1290 CA GLY A 84 11.626 -11.974 -4.500 1.00 1.14 C ATOM 1291 C GLY A 84 10.559 -10.990 -4.063 1.00 1.22 C ATOM 1292 O GLY A 84 10.830 -9.801 -3.910 1.00 2.05 O ATOM 0 H GLY A 84 11.283 -14.032 -4.698 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.205 -12.287 -3.631 1.00 1.14 H new ATOM 0 HA3 GLY A 84 12.317 -11.478 -5.182 1.00 1.14 H new ATOM 1296 N GLY A 85 9.341 -11.492 -3.871 1.00 0.69 N ATOM 1297 CA GLY A 85 8.240 -10.648 -3.447 1.00 0.69 C ATOM 1298 C GLY A 85 8.449 -10.067 -2.067 1.00 0.66 C ATOM 1299 O GLY A 85 9.488 -9.472 -1.783 1.00 0.91 O ATOM 0 H GLY A 85 9.098 -12.474 -4.003 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.113 -9.836 -4.163 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.318 -11.229 -3.457 1.00 0.69 H new ATOM 1303 N ILE A 86 7.456 -10.238 -1.208 1.00 0.49 N ATOM 1304 CA ILE A 86 7.531 -9.725 0.152 1.00 0.48 C ATOM 1305 C ILE A 86 7.498 -10.861 1.169 1.00 0.50 C ATOM 1306 O ILE A 86 7.144 -11.992 0.838 1.00 0.53 O ATOM 1307 CB ILE A 86 6.379 -8.743 0.433 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.040 -9.486 0.449 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.374 -7.643 -0.620 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.868 -8.619 0.855 1.00 0.45 C ATOM 0 H ILE A 86 6.589 -10.728 -1.428 1.00 0.49 H new ATOM 0 HA ILE A 86 8.478 -9.195 0.250 1.00 0.48 H new ATOM 0 HB ILE A 86 6.526 -8.288 1.413 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.850 -9.896 -0.543 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.111 -10.330 1.135 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.557 -6.950 -0.418 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.322 -7.106 -0.590 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.239 -8.085 -1.607 1.00 0.50 H new ATOM 0 HD11 ILE A 86 2.954 -9.213 0.843 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.034 -8.229 1.859 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.770 -7.789 0.155 1.00 0.45 H new ATOM 1322 N THR A 87 7.870 -10.553 2.407 1.00 0.52 N ATOM 1323 CA THR A 87 7.889 -11.551 3.468 1.00 0.57 C ATOM 1324 C THR A 87 6.551 -11.606 4.199 1.00 0.51 C ATOM 1325 O THR A 87 5.664 -10.790 3.949 1.00 0.48 O ATOM 1326 CB THR A 87 9.016 -11.275 4.482 1.00 0.64 C ATOM 1327 OG1 THR A 87 9.048 -12.308 5.475 1.00 1.18 O ATOM 1328 CG2 THR A 87 8.826 -9.925 5.157 1.00 1.27 C ATOM 0 H THR A 87 8.162 -9.620 2.699 1.00 0.52 H new ATOM 0 HA THR A 87 8.074 -12.514 2.992 1.00 0.57 H new ATOM 0 HB THR A 87 9.961 -11.261 3.940 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.768 -12.125 6.114 1.00 1.18 H new ATOM 0 HG21 THR A 87 9.635 -9.756 5.867 1.00 1.27 H new ATOM 0 HG22 THR A 87 8.834 -9.137 4.404 1.00 1.27 H new ATOM 0 HG23 THR A 87 7.872 -9.913 5.684 1.00 1.27 H new ATOM 1336 N SER A 88 6.416 -12.573 5.101 1.00 0.56 N ATOM 1337 CA SER A 88 5.186 -12.742 5.866 1.00 0.53 C ATOM 1338 C SER A 88 4.848 -11.480 6.657 1.00 0.48 C ATOM 1339 O SER A 88 3.690 -11.068 6.716 1.00 0.48 O ATOM 1340 CB SER A 88 5.314 -13.933 6.816 1.00 0.62 C ATOM 1341 OG SER A 88 5.627 -15.119 6.108 1.00 1.53 O ATOM 0 H SER A 88 7.145 -13.252 5.320 1.00 0.56 H new ATOM 0 HA SER A 88 4.376 -12.929 5.161 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.090 -13.731 7.554 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.381 -14.068 7.363 1.00 0.62 H new ATOM 0 HG SER A 88 5.705 -15.865 6.738 1.00 1.53 H new ATOM 1347 N ASP A 89 5.863 -10.873 7.264 1.00 0.51 N ATOM 1348 CA ASP A 89 5.668 -9.658 8.050 1.00 0.51 C ATOM 1349 C ASP A 89 5.133 -8.525 7.178 1.00 0.44 C ATOM 1350 O ASP A 89 4.384 -7.668 7.646 1.00 0.45 O ATOM 1351 CB ASP A 89 6.984 -9.235 8.709 1.00 0.59 C ATOM 1352 CG ASP A 89 6.855 -7.932 9.474 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.491 -7.977 10.667 1.00 1.85 O ATOM 1354 OD2 ASP A 89 7.117 -6.865 8.879 1.00 2.34 O ATOM 0 H ASP A 89 6.828 -11.201 7.227 1.00 0.51 H new ATOM 0 HA ASP A 89 4.933 -9.871 8.827 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.316 -10.020 9.388 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.753 -9.129 7.944 1.00 0.59 H new ATOM 1359 N GLN A 90 5.526 -8.529 5.909 1.00 0.44 N ATOM 1360 CA GLN A 90 5.088 -7.508 4.966 1.00 0.42 C ATOM 1361 C GLN A 90 3.744 -7.874 4.349 1.00 0.39 C ATOM 1362 O GLN A 90 3.014 -7.011 3.868 1.00 0.52 O ATOM 1363 CB GLN A 90 6.131 -7.326 3.860 1.00 0.49 C ATOM 1364 CG GLN A 90 7.338 -6.510 4.290 1.00 0.59 C ATOM 1365 CD GLN A 90 8.393 -6.411 3.206 1.00 0.75 C ATOM 1366 OE1 GLN A 90 9.587 -6.312 3.492 1.00 1.63 O ATOM 1367 NE2 GLN A 90 7.959 -6.434 1.950 1.00 0.91 N ATOM 0 H GLN A 90 6.149 -9.231 5.509 1.00 0.44 H new ATOM 0 HA GLN A 90 4.975 -6.572 5.513 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.467 -8.307 3.524 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.661 -6.840 3.005 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.013 -5.507 4.568 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.778 -6.961 5.180 1.00 0.59 H new ATOM 0 HE21 GLN A 90 6.961 -6.517 1.757 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.624 -6.368 1.179 1.00 0.91 H new ATOM 1376 N ALA A 91 3.425 -9.162 4.370 1.00 0.37 N ATOM 1377 CA ALA A 91 2.173 -9.651 3.803 1.00 0.37 C ATOM 1378 C ALA A 91 1.014 -9.508 4.781 1.00 0.34 C ATOM 1379 O ALA A 91 -0.129 -9.310 4.374 1.00 0.40 O ATOM 1380 CB ALA A 91 2.326 -11.101 3.385 1.00 0.45 C ATOM 0 H ALA A 91 4.016 -9.888 4.774 1.00 0.37 H new ATOM 0 HA ALA A 91 1.944 -9.041 2.929 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.387 -11.459 2.963 1.00 0.45 H new ATOM 0 HB2 ALA A 91 3.115 -11.183 2.637 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.586 -11.705 4.254 1.00 0.45 H new ATOM 1386 N ALA A 92 1.313 -9.612 6.070 1.00 0.31 N ATOM 1387 CA ALA A 92 0.289 -9.514 7.103 1.00 0.33 C ATOM 1388 C ALA A 92 -0.246 -8.093 7.246 1.00 0.28 C ATOM 1389 O ALA A 92 -1.405 -7.895 7.610 1.00 0.34 O ATOM 1390 CB ALA A 92 0.841 -9.996 8.435 1.00 0.40 C ATOM 0 H ALA A 92 2.257 -9.764 6.425 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.542 -10.151 6.799 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.067 -9.918 9.199 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.157 -11.035 8.343 1.00 0.40 H new ATOM 0 HB3 ALA A 92 1.695 -9.381 8.719 1.00 0.40 H new ATOM 1396 N VAL A 93 0.597 -7.107 6.957 1.00 0.26 N ATOM 1397 CA VAL A 93 0.194 -5.710 7.078 1.00 0.30 C ATOM 1398 C VAL A 93 -0.500 -5.208 5.811 1.00 0.28 C ATOM 1399 O VAL A 93 -1.444 -4.420 5.888 1.00 0.35 O ATOM 1400 CB VAL A 93 1.402 -4.809 7.426 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.792 -3.904 6.263 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.103 -3.993 8.673 1.00 0.55 C ATOM 0 H VAL A 93 1.556 -7.247 6.640 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.525 -5.654 7.896 1.00 0.30 H new ATOM 0 HB VAL A 93 2.256 -5.457 7.624 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.644 -3.289 6.551 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.060 -4.515 5.401 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.951 -3.261 6.005 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.960 -3.362 8.909 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.229 -3.366 8.497 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.906 -4.665 9.509 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.031 -5.657 4.650 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.630 -5.243 3.386 1.00 0.25 C ATOM 1414 C ILE A 94 -1.942 -5.977 3.155 1.00 0.25 C ATOM 1415 O ILE A 94 -2.841 -5.457 2.504 1.00 0.28 O ATOM 1416 CB ILE A 94 0.321 -5.485 2.193 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.668 -4.803 2.442 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.302 -4.966 0.904 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.706 -5.104 1.380 1.00 0.52 C ATOM 0 H ILE A 94 0.754 -6.301 4.559 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.820 -4.172 3.453 1.00 0.25 H new ATOM 0 HB ILE A 94 0.485 -6.558 2.092 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.516 -3.725 2.494 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.051 -5.118 3.412 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.380 -5.144 0.073 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.242 -5.486 0.719 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.491 -3.896 0.996 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.635 -4.587 1.622 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.887 -6.178 1.343 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.344 -4.763 0.410 1.00 0.52 H new ATOM 1431 N SER A 95 -2.049 -7.186 3.698 1.00 0.27 N ATOM 1432 CA SER A 95 -3.266 -7.982 3.565 1.00 0.34 C ATOM 1433 C SER A 95 -4.448 -7.266 4.218 1.00 0.39 C ATOM 1434 O SER A 95 -5.608 -7.611 3.986 1.00 0.47 O ATOM 1435 CB SER A 95 -3.075 -9.361 4.199 1.00 0.40 C ATOM 1436 OG SER A 95 -4.263 -10.129 4.117 1.00 0.49 O ATOM 0 H SER A 95 -1.308 -7.637 4.235 1.00 0.27 H new ATOM 0 HA SER A 95 -3.477 -8.110 2.503 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.263 -9.887 3.696 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.783 -9.247 5.243 1.00 0.40 H new ATOM 0 HG SER A 95 -5.040 -9.531 4.117 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.136 -6.273 5.043 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.150 -5.492 5.746 1.00 0.46 C ATOM 1444 C LYS A 96 -5.746 -4.418 4.837 1.00 0.45 C ATOM 1445 O LYS A 96 -6.596 -3.636 5.261 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.538 -4.828 6.981 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.557 -5.716 7.728 1.00 0.57 C ATOM 1448 CD LYS A 96 -4.277 -6.827 8.469 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.162 -6.665 9.976 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.524 -5.292 10.419 1.00 2.12 N ATOM 0 H LYS A 96 -3.178 -5.987 5.244 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.946 -6.172 6.050 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.028 -3.914 6.676 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.339 -4.535 7.660 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -2.844 -6.147 7.025 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.984 -5.116 8.435 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -5.329 -6.833 8.183 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -3.861 -7.790 8.174 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.812 -7.388 10.469 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -3.142 -6.889 10.288 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -5.117 -5.347 11.272 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -3.658 -4.757 10.633 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -5.051 -4.811 9.662 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.282 -4.382 3.593 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.736 -3.388 2.620 1.00 0.40 C ATOM 1466 C PHE A 97 -7.262 -3.317 2.464 1.00 0.48 C ATOM 1467 O PHE A 97 -7.762 -2.428 1.774 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.066 -3.604 1.249 1.00 0.37 C ATOM 1469 CG PHE A 97 -4.984 -5.034 0.760 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.687 -6.027 1.426 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.238 -5.391 -0.355 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.647 -7.339 0.996 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.200 -6.703 -0.791 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.763 -7.652 -0.162 1.00 0.53 C ATOM 0 H PHE A 97 -4.586 -5.034 3.230 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.426 -2.425 3.026 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.610 -3.019 0.507 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.055 -3.200 1.295 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.275 -5.770 2.295 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.681 -4.635 -0.888 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.233 -8.107 1.479 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.670 -6.930 -1.704 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.602 -8.676 -0.464 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.012 -4.228 3.090 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.476 -4.172 2.992 1.00 0.63 C ATOM 1486 C TRP A 98 -10.159 -4.401 4.337 1.00 0.69 C ATOM 1487 O TRP A 98 -11.385 -4.484 4.404 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.029 -5.153 1.946 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.513 -6.561 2.040 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.744 -7.200 1.112 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -9.754 -7.518 3.085 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.469 -8.480 1.524 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.079 -8.701 2.728 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.464 -7.492 4.290 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.093 -9.841 3.529 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.478 -8.624 5.083 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -9.797 -9.784 4.699 1.00 1.00 C ATOM 0 H TRP A 98 -7.645 -4.994 3.655 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.708 -3.159 2.664 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.115 -5.176 2.035 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.798 -4.766 0.953 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.401 -6.762 0.186 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.901 -9.157 1.014 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -10.993 -6.601 4.596 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.567 -10.737 3.236 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.024 -8.613 6.015 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -9.828 -10.652 5.340 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.376 -4.495 5.409 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.942 -4.710 6.738 1.00 0.91 C ATOM 1510 C LYS A 99 -9.751 -3.481 7.622 1.00 1.11 C ATOM 1511 O LYS A 99 -10.478 -3.288 8.596 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.311 -5.936 7.407 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.869 -5.731 7.844 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.693 -5.975 9.336 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.302 -4.855 10.165 1.00 1.51 C ATOM 1516 NZ LYS A 99 -8.152 -5.101 11.626 1.00 1.67 N ATOM 0 H LYS A 99 -8.359 -4.427 5.385 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.011 -4.886 6.616 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.908 -6.209 8.277 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.354 -6.777 6.715 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.220 -6.406 7.286 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.556 -4.715 7.602 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -8.158 -6.923 9.607 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -6.632 -6.063 9.568 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -7.825 -3.910 9.905 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -9.360 -4.756 9.920 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.580 -4.315 12.156 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -8.629 -5.990 11.879 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -7.142 -5.170 11.865 1.00 1.67 H new