USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 743 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 58 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Set 1.2: A 65 THR OG1 : rot 150:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.7!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 17 SER OG : rot 22:sc= 0.376 USER MOD Single : A 29 HIS : no HE2:sc= -7.73! C(o=-7.7!,f=-7.9!) USER MOD Single : A 35 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.91) USER MOD Single : A 36 THR OG1 : rot 123:sc= 0.238 USER MOD Single : A 37 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.68) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 115:sc= 1.17 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -149:sc= 0.189 USER MOD Single : A 63 ASN : amide:sc= -1.94! K(o=-1.9!,f=-1.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 73 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.061 USER MOD Single : A 76 TYR OH : rot 90:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.244 K(o=0.24,f=-1.8!) USER MOD Single : A 92 SER OG : rot -66:sc= 0.822 USER MOD Single : A 94 SER OG : rot 19:sc= 0.148 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -172:sc= 1.38 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 5.647 14.836 -3.098 1.00 0.00 N ATOM 67 CA PRO A 8 4.983 14.505 -1.833 1.00 0.00 C ATOM 68 C PRO A 8 3.516 14.138 -2.028 1.00 0.00 C ATOM 69 O PRO A 8 2.803 13.861 -1.064 1.00 0.00 O ATOM 70 CB PRO A 8 5.109 15.795 -1.018 1.00 0.00 C ATOM 71 CG PRO A 8 5.234 16.875 -2.036 1.00 0.00 C ATOM 72 CD PRO A 8 5.975 16.269 -3.195 1.00 0.00 C ATOM 0 HA PRO A 8 5.432 13.636 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.237 15.949 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.980 15.766 -0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.253 17.235 -2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.774 17.731 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.650 16.692 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.049 16.441 -3.120 1.00 0.00 H new ATOM 80 N ASP A 9 3.072 14.139 -3.280 1.00 0.00 N ATOM 81 CA ASP A 9 1.689 13.804 -3.601 1.00 0.00 C ATOM 82 C ASP A 9 1.273 12.504 -2.921 1.00 0.00 C ATOM 83 O ASP A 9 0.187 12.411 -2.348 1.00 0.00 O ATOM 84 CB ASP A 9 1.510 13.683 -5.115 1.00 0.00 C ATOM 85 CG ASP A 9 1.620 15.021 -5.820 1.00 0.00 C ATOM 86 OD1 ASP A 9 2.666 15.687 -5.670 1.00 0.00 O ATOM 87 OD2 ASP A 9 0.661 15.401 -6.523 1.00 0.00 O ATOM 0 H ASP A 9 3.649 14.368 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 9 1.051 14.606 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.263 13.003 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.536 13.242 -5.329 1.00 0.00 H new ATOM 92 N ALA A 10 2.143 11.502 -2.989 1.00 0.00 N ATOM 93 CA ALA A 10 1.866 10.207 -2.380 1.00 0.00 C ATOM 94 C ALA A 10 2.036 10.265 -0.866 1.00 0.00 C ATOM 95 O ALA A 10 2.689 11.157 -0.324 1.00 0.00 O ATOM 96 CB ALA A 10 2.772 9.139 -2.974 1.00 0.00 C ATOM 0 H ALA A 10 3.046 11.562 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 10 0.829 9.948 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.554 8.177 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.599 9.071 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.814 9.402 -2.791 1.00 0.00 H new ATOM 102 N PRO A 11 1.435 9.293 -0.164 1.00 0.00 N ATOM 103 CA PRO A 11 1.506 9.212 1.298 1.00 0.00 C ATOM 104 C PRO A 11 2.900 8.841 1.791 1.00 0.00 C ATOM 105 O PRO A 11 3.815 8.630 0.995 1.00 0.00 O ATOM 106 CB PRO A 11 0.505 8.106 1.641 1.00 0.00 C ATOM 107 CG PRO A 11 0.439 7.261 0.416 1.00 0.00 C ATOM 108 CD PRO A 11 0.640 8.197 -0.743 1.00 0.00 C ATOM 0 HA PRO A 11 1.283 10.169 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.835 7.527 2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.472 8.520 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.208 6.489 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.522 6.752 0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.165 7.711 -1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.310 8.556 -1.139 1.00 0.00 H new ATOM 116 N ARG A 12 3.055 8.762 3.109 1.00 0.00 N ATOM 117 CA ARG A 12 4.339 8.416 3.708 1.00 0.00 C ATOM 118 C ARG A 12 4.141 7.663 5.020 1.00 0.00 C ATOM 119 O ARG A 12 3.026 7.568 5.531 1.00 0.00 O ATOM 120 CB ARG A 12 5.168 9.679 3.952 1.00 0.00 C ATOM 121 CG ARG A 12 5.206 10.623 2.761 1.00 0.00 C ATOM 122 CD ARG A 12 5.759 11.985 3.148 1.00 0.00 C ATOM 123 NE ARG A 12 7.196 11.940 3.404 1.00 0.00 N ATOM 124 CZ ARG A 12 8.106 11.756 2.454 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.730 11.601 1.192 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.396 11.727 2.766 1.00 0.00 N ATOM 0 H ARG A 12 2.308 8.933 3.782 1.00 0.00 H new ATOM 0 HA ARG A 12 4.873 7.767 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.761 10.210 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.187 9.390 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.821 10.190 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.201 10.739 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.555 12.699 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.243 12.346 4.038 1.00 0.00 H new ATOM 0 HE ARG A 12 7.519 12.056 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.740 11.623 0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.431 11.460 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.689 11.846 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.094 11.586 2.036 1.00 0.00 H new ATOM 140 N ASN A 13 5.232 7.128 5.559 1.00 0.00 N ATOM 141 CA ASN A 13 5.179 6.381 6.810 1.00 0.00 C ATOM 142 C ASN A 13 4.301 5.142 6.667 1.00 0.00 C ATOM 143 O ASN A 13 3.457 4.863 7.521 1.00 0.00 O ATOM 144 CB ASN A 13 4.646 7.270 7.936 1.00 0.00 C ATOM 145 CG ASN A 13 5.749 8.044 8.633 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.895 7.596 8.691 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.408 9.211 9.165 1.00 0.00 N ATOM 0 H ASN A 13 6.163 7.198 5.149 1.00 0.00 H new ATOM 0 HA ASN A 13 6.191 6.061 7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.917 7.970 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.122 6.653 8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.108 9.776 9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.446 9.543 9.093 1.00 0.00 H new ATOM 154 N LEU A 14 4.505 4.401 5.584 1.00 0.00 N ATOM 155 CA LEU A 14 3.732 3.190 5.329 1.00 0.00 C ATOM 156 C LEU A 14 4.067 2.105 6.348 1.00 0.00 C ATOM 157 O LEU A 14 5.075 1.411 6.220 1.00 0.00 O ATOM 158 CB LEU A 14 4.004 2.677 3.913 1.00 0.00 C ATOM 159 CG LEU A 14 3.084 1.562 3.415 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.639 2.035 3.386 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.519 1.087 2.037 1.00 0.00 C ATOM 0 H LEU A 14 5.199 4.617 4.868 1.00 0.00 H new ATOM 0 HA LEU A 14 2.675 3.437 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.929 3.518 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.033 2.319 3.869 1.00 0.00 H new ATOM 0 HG LEU A 14 3.156 0.722 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.999 1.228 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.331 2.325 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.550 2.891 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.853 0.293 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.477 1.920 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.539 0.707 2.088 1.00 0.00 H new ATOM 173 N GLN A 15 3.214 1.965 7.357 1.00 0.00 N ATOM 174 CA GLN A 15 3.420 0.963 8.397 1.00 0.00 C ATOM 175 C GLN A 15 2.300 -0.072 8.384 1.00 0.00 C ATOM 176 O GLN A 15 1.155 0.233 8.721 1.00 0.00 O ATOM 177 CB GLN A 15 3.497 1.632 9.770 1.00 0.00 C ATOM 178 CG GLN A 15 4.898 2.085 10.149 1.00 0.00 C ATOM 179 CD GLN A 15 4.942 2.784 11.493 1.00 0.00 C ATOM 180 OE1 GLN A 15 3.944 2.835 12.212 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.103 3.328 11.840 1.00 0.00 N ATOM 0 H GLN A 15 2.374 2.532 7.477 1.00 0.00 H new ATOM 0 HA GLN A 15 4.363 0.454 8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.830 2.494 9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.133 0.935 10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.561 1.220 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.278 2.759 9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.905 3.262 11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.193 3.812 12.733 1.00 0.00 H new ATOM 190 N LEU A 16 2.637 -1.296 7.994 1.00 0.00 N ATOM 191 CA LEU A 16 1.660 -2.378 7.938 1.00 0.00 C ATOM 192 C LEU A 16 1.563 -3.095 9.280 1.00 0.00 C ATOM 193 O LEU A 16 2.516 -3.104 10.060 1.00 0.00 O ATOM 194 CB LEU A 16 2.035 -3.374 6.840 1.00 0.00 C ATOM 195 CG LEU A 16 1.572 -3.021 5.426 1.00 0.00 C ATOM 196 CD1 LEU A 16 2.550 -2.060 4.768 1.00 0.00 C ATOM 197 CD2 LEU A 16 1.414 -4.280 4.587 1.00 0.00 C ATOM 0 H LEU A 16 3.580 -1.564 7.712 1.00 0.00 H new ATOM 0 HA LEU A 16 0.687 -1.944 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.120 -3.481 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.621 -4.347 7.104 1.00 0.00 H new ATOM 0 HG LEU A 16 0.602 -2.529 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.204 -1.820 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.614 -1.145 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.534 -2.525 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.084 -4.010 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.370 -4.799 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.674 -4.934 5.048 1.00 0.00 H new ATOM 209 N SER A 17 0.408 -3.698 9.542 1.00 0.00 N ATOM 210 CA SER A 17 0.186 -4.417 10.791 1.00 0.00 C ATOM 211 C SER A 17 -0.735 -5.614 10.572 1.00 0.00 C ATOM 212 O SER A 17 -1.175 -5.877 9.452 1.00 0.00 O ATOM 213 CB SER A 17 -0.414 -3.483 11.843 1.00 0.00 C ATOM 214 OG SER A 17 -1.102 -2.404 11.234 1.00 0.00 O ATOM 0 H SER A 17 -0.389 -3.703 8.906 1.00 0.00 H new ATOM 0 HA SER A 17 1.149 -4.782 11.148 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.099 -4.041 12.481 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.378 -3.097 12.485 1.00 0.00 H new ATOM 0 HG SER A 17 -1.353 -2.651 10.319 1.00 0.00 H new ATOM 220 N LEU A 18 -1.022 -6.336 11.650 1.00 0.00 N ATOM 221 CA LEU A 18 -1.891 -7.505 11.578 1.00 0.00 C ATOM 222 C LEU A 18 -2.876 -7.524 12.743 1.00 0.00 C ATOM 223 O LEU A 18 -2.508 -7.334 13.902 1.00 0.00 O ATOM 224 CB LEU A 18 -1.055 -8.787 11.581 1.00 0.00 C ATOM 225 CG LEU A 18 -0.426 -9.181 10.245 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.614 -10.273 10.445 1.00 0.00 C ATOM 227 CD2 LEU A 18 -1.497 -9.635 9.264 1.00 0.00 C ATOM 0 H LEU A 18 -0.666 -6.132 12.584 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.457 -7.450 10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.258 -8.675 12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.687 -9.608 11.918 1.00 0.00 H new ATOM 0 HG LEU A 18 0.072 -8.306 9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.051 -10.540 9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.397 -9.912 11.111 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.140 -11.151 10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.031 -9.912 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.024 -10.496 9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.204 -8.823 9.096 1.00 0.00 H new ATOM 239 N PRO A 19 -4.158 -7.762 12.429 1.00 0.00 N ATOM 240 CA PRO A 19 -5.222 -7.814 13.436 1.00 0.00 C ATOM 241 C PRO A 19 -5.112 -9.042 14.333 1.00 0.00 C ATOM 242 O PRO A 19 -5.042 -10.172 13.848 1.00 0.00 O ATOM 243 CB PRO A 19 -6.501 -7.877 12.598 1.00 0.00 C ATOM 244 CG PRO A 19 -6.075 -8.474 11.301 1.00 0.00 C ATOM 245 CD PRO A 19 -4.668 -7.997 11.068 1.00 0.00 C ATOM 0 HA PRO A 19 -5.182 -6.962 14.115 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.263 -8.487 13.083 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.930 -6.885 12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.117 -9.563 11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.733 -8.159 10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.074 -8.742 10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.646 -7.087 10.468 1.00 0.00 H new ATOM 253 N ARG A 20 -5.097 -8.814 15.642 1.00 0.00 N ATOM 254 CA ARG A 20 -4.994 -9.903 16.606 1.00 0.00 C ATOM 255 C ARG A 20 -6.344 -10.587 16.800 1.00 0.00 C ATOM 256 O ARG A 20 -6.467 -11.529 17.582 1.00 0.00 O ATOM 257 CB ARG A 20 -4.479 -9.378 17.948 1.00 0.00 C ATOM 258 CG ARG A 20 -5.386 -8.337 18.583 1.00 0.00 C ATOM 259 CD ARG A 20 -4.645 -7.515 19.626 1.00 0.00 C ATOM 260 NE ARG A 20 -5.557 -6.725 20.449 1.00 0.00 N ATOM 261 CZ ARG A 20 -5.152 -5.841 21.354 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.857 -5.636 21.551 1.00 0.00 N ATOM 263 NH2 ARG A 20 -6.042 -5.160 22.063 1.00 0.00 N ATOM 0 H ARG A 20 -5.155 -7.885 16.059 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.288 -10.635 16.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.364 -10.215 18.636 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.489 -8.945 17.804 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.780 -7.677 17.811 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.240 -8.831 19.047 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.063 -8.179 20.265 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.938 -6.851 19.129 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.560 -6.859 20.322 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.170 -6.158 21.007 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.548 -4.957 22.246 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.039 -5.315 21.914 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.729 -4.482 22.758 1.00 0.00 H new ATOM 277 N GLU A 21 -7.354 -10.105 16.082 1.00 0.00 N ATOM 278 CA GLU A 21 -8.695 -10.670 16.176 1.00 0.00 C ATOM 279 C GLU A 21 -9.218 -11.064 14.798 1.00 0.00 C ATOM 280 O GLU A 21 -10.399 -11.368 14.634 1.00 0.00 O ATOM 281 CB GLU A 21 -9.650 -9.668 16.829 1.00 0.00 C ATOM 282 CG GLU A 21 -9.506 -9.585 18.339 1.00 0.00 C ATOM 283 CD GLU A 21 -10.348 -10.618 19.063 1.00 0.00 C ATOM 284 OE1 GLU A 21 -11.549 -10.735 18.742 1.00 0.00 O ATOM 285 OE2 GLU A 21 -9.806 -11.309 19.950 1.00 0.00 O ATOM 0 H GLU A 21 -7.269 -9.326 15.430 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.641 -11.566 16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.476 -8.681 16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.676 -9.944 16.585 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.459 -9.722 18.608 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.794 -8.588 18.673 1.00 0.00 H new ATOM 292 N ALA A 22 -8.330 -11.055 13.810 1.00 0.00 N ATOM 293 CA ALA A 22 -8.700 -11.412 12.446 1.00 0.00 C ATOM 294 C ALA A 22 -7.562 -12.142 11.741 1.00 0.00 C ATOM 295 O ALA A 22 -6.414 -11.701 11.777 1.00 0.00 O ATOM 296 CB ALA A 22 -9.097 -10.168 11.664 1.00 0.00 C ATOM 0 H ALA A 22 -7.348 -10.804 13.929 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.555 -12.087 12.493 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.371 -10.449 10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.947 -9.689 12.149 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.257 -9.473 11.635 1.00 0.00 H new ATOM 302 N GLU A 23 -7.889 -13.260 11.101 1.00 0.00 N ATOM 303 CA GLU A 23 -6.892 -14.051 10.389 1.00 0.00 C ATOM 304 C GLU A 23 -6.847 -13.669 8.912 1.00 0.00 C ATOM 305 O GLU A 23 -7.786 -13.072 8.386 1.00 0.00 O ATOM 306 CB GLU A 23 -7.196 -15.544 10.532 1.00 0.00 C ATOM 307 CG GLU A 23 -6.892 -16.098 11.914 1.00 0.00 C ATOM 308 CD GLU A 23 -7.501 -17.467 12.141 1.00 0.00 C ATOM 309 OE1 GLU A 23 -8.738 -17.549 12.295 1.00 0.00 O ATOM 310 OE2 GLU A 23 -6.741 -18.458 12.164 1.00 0.00 O ATOM 0 H GLU A 23 -8.835 -13.638 11.061 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.917 -13.842 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.248 -15.715 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.616 -16.097 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.812 -16.158 12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.268 -15.408 12.669 1.00 0.00 H new ATOM 317 N GLY A 24 -5.748 -14.017 8.250 1.00 0.00 N ATOM 318 CA GLY A 24 -5.601 -13.702 6.841 1.00 0.00 C ATOM 319 C GLY A 24 -6.005 -12.277 6.520 1.00 0.00 C ATOM 320 O GLY A 24 -6.674 -12.025 5.517 1.00 0.00 O ATOM 0 H GLY A 24 -4.957 -14.511 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.564 -13.858 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.209 -14.390 6.253 1.00 0.00 H new ATOM 324 N VAL A 25 -5.601 -11.342 7.374 1.00 0.00 N ATOM 325 CA VAL A 25 -5.926 -9.935 7.176 1.00 0.00 C ATOM 326 C VAL A 25 -4.735 -9.044 7.508 1.00 0.00 C ATOM 327 O VAL A 25 -3.982 -9.319 8.443 1.00 0.00 O ATOM 328 CB VAL A 25 -7.128 -9.510 8.041 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.358 -8.010 7.935 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.375 -10.279 7.633 1.00 0.00 C ATOM 0 H VAL A 25 -5.048 -11.534 8.209 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.184 -9.814 6.124 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.907 -9.747 9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.211 -7.728 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.470 -7.480 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.558 -7.745 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.215 -9.967 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.602 -10.075 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.203 -11.347 7.766 1.00 0.00 H new ATOM 340 N ILE A 26 -4.570 -7.974 6.737 1.00 0.00 N ATOM 341 CA ILE A 26 -3.470 -7.041 6.950 1.00 0.00 C ATOM 342 C ILE A 26 -3.986 -5.620 7.147 1.00 0.00 C ATOM 343 O ILE A 26 -4.928 -5.192 6.480 1.00 0.00 O ATOM 344 CB ILE A 26 -2.480 -7.058 5.771 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.681 -8.363 5.766 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.547 -5.859 5.845 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.695 -8.464 4.623 1.00 0.00 C ATOM 0 H ILE A 26 -5.184 -7.732 5.959 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.951 -7.365 7.852 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.045 -6.997 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.142 -8.453 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.373 -9.203 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.853 -5.885 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.132 -4.940 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.987 -5.891 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.165 -9.414 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.230 -8.406 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.021 -7.644 4.686 1.00 0.00 H new ATOM 359 N VAL A 27 -3.360 -4.890 8.065 1.00 0.00 N ATOM 360 CA VAL A 27 -3.753 -3.515 8.347 1.00 0.00 C ATOM 361 C VAL A 27 -2.657 -2.536 7.943 1.00 0.00 C ATOM 362 O VAL A 27 -1.686 -2.339 8.672 1.00 0.00 O ATOM 363 CB VAL A 27 -4.076 -3.319 9.841 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.554 -1.899 10.102 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.115 -4.332 10.298 1.00 0.00 C ATOM 0 H VAL A 27 -2.578 -5.228 8.626 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.649 -3.315 7.759 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.165 -3.482 10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.777 -1.779 11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.774 -1.194 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.453 -1.705 9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.331 -4.179 11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.029 -4.203 9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.730 -5.341 10.148 1.00 0.00 H new ATOM 375 N GLY A 28 -2.820 -1.923 6.774 1.00 0.00 N ATOM 376 CA GLY A 28 -1.836 -0.971 6.292 1.00 0.00 C ATOM 377 C GLY A 28 -2.151 0.451 6.712 1.00 0.00 C ATOM 378 O GLY A 28 -3.281 0.916 6.557 1.00 0.00 O ATOM 0 H GLY A 28 -3.616 -2.069 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.852 -1.248 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.787 -1.023 5.204 1.00 0.00 H new ATOM 382 N HIS A 29 -1.151 1.143 7.248 1.00 0.00 N ATOM 383 CA HIS A 29 -1.328 2.521 7.694 1.00 0.00 C ATOM 384 C HIS A 29 -0.328 3.446 7.007 1.00 0.00 C ATOM 385 O HIS A 29 0.708 3.000 6.514 1.00 0.00 O ATOM 386 CB HIS A 29 -1.166 2.613 9.211 1.00 0.00 C ATOM 387 CG HIS A 29 -2.326 2.048 9.973 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.930 2.707 11.023 1.00 0.00 N ATOM 389 CD2 HIS A 29 -2.993 0.879 9.830 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.917 1.967 11.494 1.00 0.00 C ATOM 391 NE2 HIS A 29 -3.977 0.853 10.787 1.00 0.00 N ATOM 0 H HIS A 29 -0.210 0.773 7.384 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.335 2.838 7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.258 2.086 9.504 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.032 3.658 9.491 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.657 3.623 11.380 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.789 0.110 9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.565 2.228 12.317 1.00 0.00 H new ATOM 399 N TRP A 30 -0.647 4.735 6.977 1.00 0.00 N ATOM 400 CA TRP A 30 0.224 5.723 6.350 1.00 0.00 C ATOM 401 C TRP A 30 -0.139 7.133 6.801 1.00 0.00 C ATOM 402 O TRP A 30 -1.012 7.318 7.648 1.00 0.00 O ATOM 403 CB TRP A 30 0.129 5.622 4.826 1.00 0.00 C ATOM 404 CG TRP A 30 -1.275 5.724 4.311 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.917 6.857 3.902 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.209 4.651 4.151 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.195 6.554 3.497 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.398 5.207 3.640 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.156 3.275 4.388 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.523 4.433 3.364 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.273 2.508 4.114 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.443 3.088 3.606 1.00 0.00 C ATOM 0 H TRP A 30 -1.502 5.120 7.379 1.00 0.00 H new ATOM 0 HA TRP A 30 1.249 5.515 6.659 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.731 6.413 4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.559 4.673 4.504 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.484 7.846 3.897 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.881 7.223 3.147 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.258 2.819 4.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.426 4.878 2.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.243 1.444 4.295 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.299 2.462 3.401 1.00 0.00 H new ATOM 423 N ALA A 31 0.538 8.125 6.231 1.00 0.00 N ATOM 424 CA ALA A 31 0.284 9.519 6.574 1.00 0.00 C ATOM 425 C ALA A 31 -0.084 10.331 5.337 1.00 0.00 C ATOM 426 O ALA A 31 0.142 9.913 4.201 1.00 0.00 O ATOM 427 CB ALA A 31 1.500 10.123 7.262 1.00 0.00 C ATOM 0 H ALA A 31 1.266 7.989 5.530 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.562 9.550 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.297 11.164 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.716 9.566 8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.359 10.072 6.593 1.00 0.00 H new ATOM 433 N PRO A 32 -0.664 11.520 5.559 1.00 0.00 N ATOM 434 CA PRO A 32 -1.075 12.415 4.474 1.00 0.00 C ATOM 435 C PRO A 32 0.116 13.023 3.741 1.00 0.00 C ATOM 436 O PRO A 32 1.163 13.296 4.328 1.00 0.00 O ATOM 437 CB PRO A 32 -1.872 13.504 5.196 1.00 0.00 C ATOM 438 CG PRO A 32 -1.338 13.506 6.587 1.00 0.00 C ATOM 439 CD PRO A 32 -0.962 12.081 6.888 1.00 0.00 C ATOM 0 HA PRO A 32 -1.643 11.890 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.737 14.475 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.940 13.287 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.473 14.164 6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.086 13.870 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.099 12.024 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.775 11.545 7.377 1.00 0.00 H new ATOM 447 N PRO A 33 -0.045 13.242 2.428 1.00 0.00 N ATOM 448 CA PRO A 33 1.006 13.822 1.587 1.00 0.00 C ATOM 449 C PRO A 33 1.255 15.293 1.901 1.00 0.00 C ATOM 450 O PRO A 33 0.326 16.102 1.903 1.00 0.00 O ATOM 451 CB PRO A 33 0.453 13.664 0.169 1.00 0.00 C ATOM 452 CG PRO A 33 -1.026 13.617 0.341 1.00 0.00 C ATOM 453 CD PRO A 33 -1.267 12.941 1.663 1.00 0.00 C ATOM 0 HA PRO A 33 1.968 13.332 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.751 14.497 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.826 12.754 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.452 14.620 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.496 13.064 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.157 13.331 2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.413 11.867 1.545 1.00 0.00 H new ATOM 461 N ILE A 34 2.512 15.632 2.166 1.00 0.00 N ATOM 462 CA ILE A 34 2.881 17.007 2.479 1.00 0.00 C ATOM 463 C ILE A 34 2.098 17.996 1.623 1.00 0.00 C ATOM 464 O ILE A 34 1.515 18.952 2.135 1.00 0.00 O ATOM 465 CB ILE A 34 4.388 17.246 2.272 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.203 16.338 3.195 1.00 0.00 C ATOM 467 CG2 ILE A 34 4.732 18.708 2.519 1.00 0.00 C ATOM 468 CD1 ILE A 34 6.694 16.410 2.952 1.00 0.00 C ATOM 0 H ILE A 34 3.291 14.974 2.170 1.00 0.00 H new ATOM 0 HA ILE A 34 2.637 17.168 3.529 1.00 0.00 H new ATOM 0 HB ILE A 34 4.640 17.003 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.999 16.609 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.871 15.308 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.801 18.861 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.174 19.335 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.467 18.976 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.208 15.741 3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.910 16.110 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.040 17.431 3.112 1.00 0.00 H new ATOM 480 N HIS A 35 2.087 17.758 0.315 1.00 0.00 N ATOM 481 CA HIS A 35 1.373 18.627 -0.614 1.00 0.00 C ATOM 482 C HIS A 35 0.919 17.849 -1.845 1.00 0.00 C ATOM 483 O HIS A 35 1.545 16.864 -2.237 1.00 0.00 O ATOM 484 CB HIS A 35 2.261 19.798 -1.035 1.00 0.00 C ATOM 485 CG HIS A 35 2.379 20.866 0.009 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.288 21.437 0.629 1.00 0.00 N ATOM 487 CD2 HIS A 35 3.470 21.465 0.542 1.00 0.00 C ATOM 488 CE1 HIS A 35 1.702 22.342 1.497 1.00 0.00 C ATOM 489 NE2 HIS A 35 3.021 22.379 1.465 1.00 0.00 N ATOM 0 H HIS A 35 2.564 16.971 -0.125 1.00 0.00 H new ATOM 0 HA HIS A 35 0.491 19.015 -0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.256 19.422 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.860 20.237 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.500 21.262 0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.068 22.949 2.127 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.611 22.987 2.033 1.00 0.00 H new ATOM 497 N THR A 36 -0.176 18.298 -2.453 1.00 0.00 N ATOM 498 CA THR A 36 -0.715 17.644 -3.638 1.00 0.00 C ATOM 499 C THR A 36 -1.185 18.667 -4.665 1.00 0.00 C ATOM 500 O THR A 36 -1.458 19.820 -4.328 1.00 0.00 O ATOM 501 CB THR A 36 -1.891 16.714 -3.281 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.969 17.479 -2.730 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.456 15.651 -2.284 1.00 0.00 C ATOM 0 H THR A 36 -0.706 19.112 -2.143 1.00 0.00 H new ATOM 0 HA THR A 36 0.092 17.049 -4.065 1.00 0.00 H new ATOM 0 HB THR A 36 -2.225 16.219 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.778 17.336 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.302 15.006 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.654 15.053 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.099 16.131 -1.373 1.00 0.00 H new ATOM 511 N HIS A 37 -1.279 18.239 -5.920 1.00 0.00 N ATOM 512 CA HIS A 37 -1.718 19.119 -6.997 1.00 0.00 C ATOM 513 C HIS A 37 -3.234 19.064 -7.160 1.00 0.00 C ATOM 514 O HIS A 37 -3.755 19.194 -8.267 1.00 0.00 O ATOM 515 CB HIS A 37 -1.038 18.730 -8.311 1.00 0.00 C ATOM 516 CG HIS A 37 -1.110 19.796 -9.361 1.00 0.00 C ATOM 517 ND1 HIS A 37 -1.970 19.736 -10.437 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.423 20.955 -9.494 1.00 0.00 C ATOM 519 CE1 HIS A 37 -1.809 20.811 -11.187 1.00 0.00 C ATOM 520 NE2 HIS A 37 -0.876 21.567 -10.637 1.00 0.00 N ATOM 0 H HIS A 37 -1.057 17.288 -6.216 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.435 20.139 -6.738 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.008 18.496 -8.114 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.501 17.821 -8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.339 21.329 -8.826 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.349 21.034 -12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.546 22.460 -11.002 1.00 0.00 H new ATOM 528 N GLY A 38 -3.937 18.870 -6.048 1.00 0.00 N ATOM 529 CA GLY A 38 -5.386 18.800 -6.089 1.00 0.00 C ATOM 530 C GLY A 38 -5.970 18.134 -4.859 1.00 0.00 C ATOM 531 O GLY A 38 -5.524 17.058 -4.456 1.00 0.00 O ATOM 0 H GLY A 38 -3.529 18.760 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.793 19.807 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.695 18.249 -6.978 1.00 0.00 H new ATOM 535 N LEU A 39 -6.967 18.773 -4.259 1.00 0.00 N ATOM 536 CA LEU A 39 -7.612 18.236 -3.066 1.00 0.00 C ATOM 537 C LEU A 39 -7.716 16.716 -3.140 1.00 0.00 C ATOM 538 O LEU A 39 -8.311 16.170 -4.069 1.00 0.00 O ATOM 539 CB LEU A 39 -9.005 18.846 -2.896 1.00 0.00 C ATOM 540 CG LEU A 39 -9.805 18.366 -1.685 1.00 0.00 C ATOM 541 CD1 LEU A 39 -10.744 19.459 -1.198 1.00 0.00 C ATOM 542 CD2 LEU A 39 -10.585 17.104 -2.027 1.00 0.00 C ATOM 0 H LEU A 39 -7.347 19.664 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.999 18.498 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.900 19.929 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.584 18.636 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.106 18.131 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.305 19.099 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.164 20.337 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.437 19.726 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.149 16.777 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.274 17.313 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.892 16.318 -2.327 1.00 0.00 H new ATOM 554 N ILE A 40 -7.135 16.040 -2.154 1.00 0.00 N ATOM 555 CA ILE A 40 -7.166 14.584 -2.107 1.00 0.00 C ATOM 556 C ILE A 40 -8.586 14.070 -1.901 1.00 0.00 C ATOM 557 O ILE A 40 -9.256 14.436 -0.935 1.00 0.00 O ATOM 558 CB ILE A 40 -6.267 14.038 -0.981 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.824 14.510 -1.177 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.332 12.519 -0.940 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.059 14.669 0.118 1.00 0.00 C ATOM 0 H ILE A 40 -6.638 16.477 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.790 14.230 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.630 14.423 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.300 13.797 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.831 15.464 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.692 12.149 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.359 12.204 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.992 12.114 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.045 15.006 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.559 15.404 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.021 13.712 0.638 1.00 0.00 H new ATOM 573 N ARG A 41 -9.039 13.217 -2.814 1.00 0.00 N ATOM 574 CA ARG A 41 -10.381 12.652 -2.733 1.00 0.00 C ATOM 575 C ARG A 41 -10.386 11.384 -1.883 1.00 0.00 C ATOM 576 O ARG A 41 -11.310 11.152 -1.105 1.00 0.00 O ATOM 577 CB ARG A 41 -10.912 12.342 -4.134 1.00 0.00 C ATOM 578 CG ARG A 41 -10.812 13.513 -5.097 1.00 0.00 C ATOM 579 CD ARG A 41 -11.489 13.205 -6.422 1.00 0.00 C ATOM 580 NE ARG A 41 -12.902 12.874 -6.251 1.00 0.00 N ATOM 581 CZ ARG A 41 -13.342 11.654 -5.965 1.00 0.00 C ATOM 582 NH1 ARG A 41 -12.484 10.654 -5.818 1.00 0.00 N ATOM 583 NH2 ARG A 41 -14.643 11.433 -5.825 1.00 0.00 N ATOM 0 H ARG A 41 -8.497 12.902 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.031 13.388 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.359 11.497 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.955 12.033 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.271 14.394 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.763 13.754 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.396 14.065 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.978 12.373 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.588 13.621 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.483 10.821 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.825 9.718 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.306 12.200 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.980 10.496 -5.605 1.00 0.00 H new ATOM 597 N GLU A 42 -9.348 10.569 -2.039 1.00 0.00 N ATOM 598 CA GLU A 42 -9.234 9.325 -1.287 1.00 0.00 C ATOM 599 C GLU A 42 -7.863 8.688 -1.492 1.00 0.00 C ATOM 600 O GLU A 42 -7.040 9.193 -2.256 1.00 0.00 O ATOM 601 CB GLU A 42 -10.332 8.346 -1.710 1.00 0.00 C ATOM 602 CG GLU A 42 -10.351 8.060 -3.202 1.00 0.00 C ATOM 603 CD GLU A 42 -11.733 7.697 -3.709 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.558 7.228 -2.897 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.990 7.882 -4.917 1.00 0.00 O ATOM 0 H GLU A 42 -8.574 10.748 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.352 9.558 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.198 7.408 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.300 8.749 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.989 8.936 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.662 7.244 -3.421 1.00 0.00 H new ATOM 612 N TYR A 43 -7.624 7.577 -0.804 1.00 0.00 N ATOM 613 CA TYR A 43 -6.352 6.873 -0.907 1.00 0.00 C ATOM 614 C TYR A 43 -6.566 5.421 -1.326 1.00 0.00 C ATOM 615 O TYR A 43 -7.248 4.660 -0.640 1.00 0.00 O ATOM 616 CB TYR A 43 -5.606 6.926 0.427 1.00 0.00 C ATOM 617 CG TYR A 43 -5.347 8.332 0.920 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.222 9.037 0.510 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.227 8.955 1.796 1.00 0.00 C ATOM 620 CE1 TYR A 43 -3.981 10.321 0.958 1.00 0.00 C ATOM 621 CE2 TYR A 43 -5.995 10.239 2.249 1.00 0.00 C ATOM 622 CZ TYR A 43 -4.871 10.918 1.828 1.00 0.00 C ATOM 623 OH TYR A 43 -4.635 12.197 2.276 1.00 0.00 O ATOM 0 H TYR A 43 -8.295 7.145 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.752 7.368 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.183 6.387 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.654 6.405 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.524 8.573 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.108 8.426 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.101 10.855 0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.690 10.709 2.929 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.357 12.470 2.880 1.00 0.00 H new ATOM 633 N ILE A 44 -5.976 5.045 -2.456 1.00 0.00 N ATOM 634 CA ILE A 44 -6.099 3.685 -2.965 1.00 0.00 C ATOM 635 C ILE A 44 -5.038 2.773 -2.360 1.00 0.00 C ATOM 636 O ILE A 44 -3.932 3.213 -2.046 1.00 0.00 O ATOM 637 CB ILE A 44 -5.979 3.646 -4.500 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.710 2.424 -5.060 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.516 3.632 -4.917 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.961 2.500 -6.550 1.00 0.00 C ATOM 0 H ILE A 44 -5.408 5.663 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.088 3.328 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.444 4.543 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.125 1.530 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.664 2.313 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.448 3.604 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.023 4.530 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.027 2.751 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.483 1.601 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.572 3.375 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.009 2.579 -7.076 1.00 0.00 H new ATOM 652 N VAL A 45 -5.381 1.499 -2.202 1.00 0.00 N ATOM 653 CA VAL A 45 -4.457 0.522 -1.637 1.00 0.00 C ATOM 654 C VAL A 45 -4.372 -0.723 -2.512 1.00 0.00 C ATOM 655 O VAL A 45 -5.335 -1.480 -2.626 1.00 0.00 O ATOM 656 CB VAL A 45 -4.877 0.109 -0.214 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.849 1.309 0.720 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.257 -0.532 -0.231 1.00 0.00 C ATOM 0 H VAL A 45 -6.292 1.119 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.478 1.000 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.164 -0.627 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.149 0.998 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.840 1.720 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.538 2.070 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.538 -0.818 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.984 0.180 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.239 -1.418 -0.866 1.00 0.00 H new ATOM 668 N GLU A 46 -3.211 -0.930 -3.127 1.00 0.00 N ATOM 669 CA GLU A 46 -3.001 -2.085 -3.992 1.00 0.00 C ATOM 670 C GLU A 46 -2.167 -3.150 -3.285 1.00 0.00 C ATOM 671 O GLU A 46 -1.043 -2.889 -2.855 1.00 0.00 O ATOM 672 CB GLU A 46 -2.310 -1.659 -5.289 1.00 0.00 C ATOM 673 CG GLU A 46 -3.277 -1.272 -6.395 1.00 0.00 C ATOM 674 CD GLU A 46 -2.602 -1.161 -7.748 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.629 -1.906 -7.988 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.045 -0.328 -8.567 1.00 0.00 O ATOM 0 H GLU A 46 -2.403 -0.314 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.976 -2.510 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.653 -0.815 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.678 -2.475 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.075 -2.013 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.744 -0.319 -6.147 1.00 0.00 H new ATOM 683 N TYR A 47 -2.726 -4.349 -3.168 1.00 0.00 N ATOM 684 CA TYR A 47 -2.037 -5.453 -2.511 1.00 0.00 C ATOM 685 C TYR A 47 -1.962 -6.670 -3.427 1.00 0.00 C ATOM 686 O TYR A 47 -2.858 -6.909 -4.236 1.00 0.00 O ATOM 687 CB TYR A 47 -2.749 -5.823 -1.209 1.00 0.00 C ATOM 688 CG TYR A 47 -4.239 -6.025 -1.370 1.00 0.00 C ATOM 689 CD1 TYR A 47 -5.094 -4.942 -1.528 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.792 -7.300 -1.364 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.456 -5.122 -1.675 1.00 0.00 C ATOM 692 CE2 TYR A 47 -6.152 -7.490 -1.512 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.980 -6.398 -1.666 1.00 0.00 C ATOM 694 OH TYR A 47 -8.336 -6.581 -1.813 1.00 0.00 O ATOM 0 H TYR A 47 -3.655 -4.581 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.021 -5.130 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.308 -6.737 -0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.575 -5.038 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.687 -3.942 -1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.147 -8.157 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.107 -4.269 -1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.565 -8.488 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.542 -7.539 -1.786 1.00 0.00 H new ATOM 704 N SER A 48 -0.885 -7.438 -3.292 1.00 0.00 N ATOM 705 CA SER A 48 -0.689 -8.630 -4.109 1.00 0.00 C ATOM 706 C SER A 48 0.295 -9.588 -3.444 1.00 0.00 C ATOM 707 O SER A 48 1.281 -9.163 -2.842 1.00 0.00 O ATOM 708 CB SER A 48 -0.181 -8.243 -5.499 1.00 0.00 C ATOM 709 OG SER A 48 0.053 -9.393 -6.295 1.00 0.00 O ATOM 0 H SER A 48 -0.135 -7.256 -2.625 1.00 0.00 H new ATOM 0 HA SER A 48 -1.650 -9.135 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.911 -7.599 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.740 -7.668 -5.406 1.00 0.00 H new ATOM 0 HG SER A 48 -0.570 -9.399 -7.052 1.00 0.00 H new ATOM 715 N ARG A 49 0.019 -10.883 -3.559 1.00 0.00 N ATOM 716 CA ARG A 49 0.879 -11.902 -2.969 1.00 0.00 C ATOM 717 C ARG A 49 2.291 -11.822 -3.542 1.00 0.00 C ATOM 718 O ARG A 49 2.482 -11.440 -4.696 1.00 0.00 O ATOM 719 CB ARG A 49 0.296 -13.295 -3.214 1.00 0.00 C ATOM 720 CG ARG A 49 0.759 -14.335 -2.207 1.00 0.00 C ATOM 721 CD ARG A 49 0.210 -15.714 -2.538 1.00 0.00 C ATOM 722 NE ARG A 49 0.772 -16.244 -3.778 1.00 0.00 N ATOM 723 CZ ARG A 49 1.953 -16.848 -3.850 1.00 0.00 C ATOM 724 NH1 ARG A 49 2.693 -16.998 -2.760 1.00 0.00 N ATOM 725 NH2 ARG A 49 2.396 -17.304 -5.015 1.00 0.00 N ATOM 0 H ARG A 49 -0.793 -11.251 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 49 0.931 -11.720 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.792 -13.234 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.572 -13.624 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.848 -14.370 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.436 -14.044 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.430 -16.398 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.875 -15.661 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 49 0.228 -16.145 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.356 -16.649 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.599 -17.462 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.830 -17.191 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.303 -17.768 -5.070 1.00 0.00 H new ATOM 739 N SER A 50 3.276 -12.184 -2.727 1.00 0.00 N ATOM 740 CA SER A 50 4.671 -12.148 -3.151 1.00 0.00 C ATOM 741 C SER A 50 4.827 -12.728 -4.553 1.00 0.00 C ATOM 742 O SER A 50 5.795 -12.436 -5.254 1.00 0.00 O ATOM 743 CB SER A 50 5.546 -12.925 -2.165 1.00 0.00 C ATOM 744 OG SER A 50 5.259 -14.312 -2.212 1.00 0.00 O ATOM 0 H SER A 50 3.134 -12.506 -1.769 1.00 0.00 H new ATOM 0 HA SER A 50 4.993 -11.107 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.598 -12.760 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.382 -12.550 -1.155 1.00 0.00 H new ATOM 0 HG SER A 50 5.832 -14.786 -1.574 1.00 0.00 H new ATOM 750 N GLY A 51 3.865 -13.553 -4.956 1.00 0.00 N ATOM 751 CA GLY A 51 3.914 -14.162 -6.273 1.00 0.00 C ATOM 752 C GLY A 51 2.572 -14.130 -6.976 1.00 0.00 C ATOM 753 O GLY A 51 1.740 -15.017 -6.783 1.00 0.00 O ATOM 0 H GLY A 51 3.053 -13.810 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.653 -13.642 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.248 -15.196 -6.180 1.00 0.00 H new ATOM 757 N SER A 52 2.359 -13.104 -7.794 1.00 0.00 N ATOM 758 CA SER A 52 1.106 -12.956 -8.525 1.00 0.00 C ATOM 759 C SER A 52 1.181 -11.787 -9.502 1.00 0.00 C ATOM 760 O SER A 52 1.850 -10.787 -9.242 1.00 0.00 O ATOM 761 CB SER A 52 -0.056 -12.747 -7.551 1.00 0.00 C ATOM 762 OG SER A 52 -1.301 -12.986 -8.184 1.00 0.00 O ATOM 0 H SER A 52 3.038 -12.363 -7.967 1.00 0.00 H new ATOM 0 HA SER A 52 0.936 -13.871 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.056 -13.416 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.031 -11.729 -7.163 1.00 0.00 H new ATOM 0 HG SER A 52 -2.027 -12.848 -7.541 1.00 0.00 H new ATOM 768 N LYS A 53 0.490 -11.920 -10.629 1.00 0.00 N ATOM 769 CA LYS A 53 0.475 -10.877 -11.647 1.00 0.00 C ATOM 770 C LYS A 53 -0.784 -10.024 -11.534 1.00 0.00 C ATOM 771 O LYS A 53 -1.078 -9.215 -12.414 1.00 0.00 O ATOM 772 CB LYS A 53 0.562 -11.496 -13.043 1.00 0.00 C ATOM 773 CG LYS A 53 1.802 -12.347 -13.256 1.00 0.00 C ATOM 774 CD LYS A 53 1.714 -13.149 -14.544 1.00 0.00 C ATOM 775 CE LYS A 53 1.987 -12.279 -15.761 1.00 0.00 C ATOM 776 NZ LYS A 53 1.722 -13.006 -17.033 1.00 0.00 N ATOM 0 H LYS A 53 -0.068 -12.742 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 53 1.342 -10.236 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.323 -12.109 -13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.547 -10.699 -13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.683 -11.706 -13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.928 -13.025 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.431 -13.969 -14.513 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.723 -13.595 -14.629 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.363 -11.386 -15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.024 -11.945 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.920 -12.379 -17.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.335 -13.844 -17.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.726 -13.303 -17.062 1.00 0.00 H new ATOM 790 N MET A 54 -1.524 -10.210 -10.446 1.00 0.00 N ATOM 791 CA MET A 54 -2.751 -9.456 -10.218 1.00 0.00 C ATOM 792 C MET A 54 -2.644 -8.614 -8.950 1.00 0.00 C ATOM 793 O MET A 54 -2.031 -9.032 -7.967 1.00 0.00 O ATOM 794 CB MET A 54 -3.947 -10.404 -10.115 1.00 0.00 C ATOM 795 CG MET A 54 -4.228 -11.168 -11.399 1.00 0.00 C ATOM 796 SD MET A 54 -5.694 -12.212 -11.279 1.00 0.00 S ATOM 797 CE MET A 54 -5.227 -13.575 -12.343 1.00 0.00 C ATOM 0 H MET A 54 -1.295 -10.876 -9.708 1.00 0.00 H new ATOM 0 HA MET A 54 -2.899 -8.787 -11.066 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.768 -11.116 -9.310 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.833 -9.830 -9.842 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.357 -10.460 -12.218 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.365 -11.787 -11.645 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.034 -14.307 -12.372 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.039 -13.203 -13.350 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.324 -14.046 -11.955 1.00 0.00 H new ATOM 807 N TRP A 55 -3.243 -7.429 -8.980 1.00 0.00 N ATOM 808 CA TRP A 55 -3.214 -6.530 -7.832 1.00 0.00 C ATOM 809 C TRP A 55 -4.610 -6.001 -7.520 1.00 0.00 C ATOM 810 O TRP A 55 -5.250 -5.376 -8.364 1.00 0.00 O ATOM 811 CB TRP A 55 -2.261 -5.363 -8.096 1.00 0.00 C ATOM 812 CG TRP A 55 -0.822 -5.777 -8.171 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.205 -6.409 -9.213 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.177 -5.589 -7.163 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.119 -6.626 -8.912 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.378 -6.131 -7.662 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.175 -5.014 -5.890 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.562 -6.115 -6.929 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.351 -4.999 -5.164 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.531 -5.546 -5.685 1.00 0.00 C ATOM 0 H TRP A 55 -3.754 -7.069 -9.786 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.858 -7.093 -6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.542 -4.878 -9.031 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.378 -4.622 -7.305 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.686 -6.696 -10.137 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.798 -7.082 -9.521 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.729 -4.589 -5.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.473 -6.537 -7.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.361 -4.558 -4.178 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.434 -5.518 -5.093 1.00 0.00 H new ATOM 831 N ALA A 56 -5.075 -6.256 -6.301 1.00 0.00 N ATOM 832 CA ALA A 56 -6.395 -5.803 -5.877 1.00 0.00 C ATOM 833 C ALA A 56 -6.327 -4.405 -5.272 1.00 0.00 C ATOM 834 O ALA A 56 -5.654 -4.187 -4.265 1.00 0.00 O ATOM 835 CB ALA A 56 -6.994 -6.784 -4.880 1.00 0.00 C ATOM 0 H ALA A 56 -4.558 -6.773 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.037 -5.759 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.979 -6.434 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.087 -7.765 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.345 -6.857 -4.007 1.00 0.00 H new ATOM 841 N SER A 57 -7.028 -3.462 -5.893 1.00 0.00 N ATOM 842 CA SER A 57 -7.043 -2.084 -5.418 1.00 0.00 C ATOM 843 C SER A 57 -8.392 -1.740 -4.794 1.00 0.00 C ATOM 844 O SER A 57 -9.429 -2.254 -5.210 1.00 0.00 O ATOM 845 CB SER A 57 -6.741 -1.122 -6.568 1.00 0.00 C ATOM 846 OG SER A 57 -7.826 -1.056 -7.477 1.00 0.00 O ATOM 0 H SER A 57 -7.593 -3.627 -6.726 1.00 0.00 H new ATOM 0 HA SER A 57 -6.271 -1.980 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.535 -0.128 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.843 -1.448 -7.092 1.00 0.00 H new ATOM 0 HG SER A 57 -7.608 -0.433 -8.202 1.00 0.00 H new ATOM 852 N GLN A 58 -8.368 -0.866 -3.792 1.00 0.00 N ATOM 853 CA GLN A 58 -9.589 -0.453 -3.110 1.00 0.00 C ATOM 854 C GLN A 58 -9.430 0.937 -2.503 1.00 0.00 C ATOM 855 O GLN A 58 -8.336 1.324 -2.092 1.00 0.00 O ATOM 856 CB GLN A 58 -9.953 -1.460 -2.018 1.00 0.00 C ATOM 857 CG GLN A 58 -8.938 -1.527 -0.888 1.00 0.00 C ATOM 858 CD GLN A 58 -9.375 -2.444 0.237 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.569 -2.616 0.484 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.409 -3.039 0.926 1.00 0.00 N ATOM 0 H GLN A 58 -7.517 -0.431 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.392 -0.418 -3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.927 -1.199 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.051 -2.449 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.983 -1.873 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.775 -0.525 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.432 -2.868 0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.643 -3.667 1.694 1.00 0.00 H new ATOM 869 N ARG A 59 -10.528 1.684 -2.451 1.00 0.00 N ATOM 870 CA ARG A 59 -10.510 3.032 -1.896 1.00 0.00 C ATOM 871 C ARG A 59 -10.609 2.994 -0.374 1.00 0.00 C ATOM 872 O ARG A 59 -11.407 2.244 0.187 1.00 0.00 O ATOM 873 CB ARG A 59 -11.659 3.860 -2.473 1.00 0.00 C ATOM 874 CG ARG A 59 -11.345 4.480 -3.824 1.00 0.00 C ATOM 875 CD ARG A 59 -10.979 3.421 -4.852 1.00 0.00 C ATOM 876 NE ARG A 59 -12.135 2.622 -5.249 1.00 0.00 N ATOM 877 CZ ARG A 59 -13.132 3.090 -5.992 1.00 0.00 C ATOM 878 NH1 ARG A 59 -13.114 4.346 -6.416 1.00 0.00 N ATOM 879 NH2 ARG A 59 -14.149 2.300 -6.312 1.00 0.00 N ATOM 0 H ARG A 59 -11.441 1.378 -2.787 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.564 3.498 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.540 3.225 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.913 4.653 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.208 5.046 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.521 5.186 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.551 3.902 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.210 2.767 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.179 1.651 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.333 4.956 -6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.881 4.703 -6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.165 1.333 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.914 2.660 -6.882 1.00 0.00 H new ATOM 893 N ALA A 60 -9.794 3.809 0.288 1.00 0.00 N ATOM 894 CA ALA A 60 -9.792 3.870 1.744 1.00 0.00 C ATOM 895 C ALA A 60 -9.991 5.301 2.234 1.00 0.00 C ATOM 896 O ALA A 60 -9.171 6.178 1.965 1.00 0.00 O ATOM 897 CB ALA A 60 -8.494 3.298 2.294 1.00 0.00 C ATOM 0 H ALA A 60 -9.127 4.436 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.625 3.269 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.506 3.350 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.393 2.259 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.652 3.875 1.913 1.00 0.00 H new ATOM 903 N ALA A 61 -11.085 5.528 2.953 1.00 0.00 N ATOM 904 CA ALA A 61 -11.391 6.852 3.481 1.00 0.00 C ATOM 905 C ALA A 61 -10.292 7.335 4.420 1.00 0.00 C ATOM 906 O ALA A 61 -9.698 8.392 4.205 1.00 0.00 O ATOM 907 CB ALA A 61 -12.733 6.837 4.198 1.00 0.00 C ATOM 0 H ALA A 61 -11.774 4.812 3.183 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.448 7.547 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.949 7.832 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.516 6.543 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.697 6.125 5.022 1.00 0.00 H new ATOM 913 N SER A 62 -10.026 6.556 5.463 1.00 0.00 N ATOM 914 CA SER A 62 -9.000 6.907 6.439 1.00 0.00 C ATOM 915 C SER A 62 -7.605 6.722 5.851 1.00 0.00 C ATOM 916 O SER A 62 -7.454 6.401 4.673 1.00 0.00 O ATOM 917 CB SER A 62 -9.152 6.054 7.700 1.00 0.00 C ATOM 918 OG SER A 62 -8.234 6.457 8.701 1.00 0.00 O ATOM 0 H SER A 62 -10.507 5.677 5.655 1.00 0.00 H new ATOM 0 HA SER A 62 -9.128 7.957 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.170 6.139 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.990 5.004 7.455 1.00 0.00 H new ATOM 0 HG SER A 62 -7.978 5.681 9.242 1.00 0.00 H new ATOM 924 N ASN A 63 -6.588 6.928 6.681 1.00 0.00 N ATOM 925 CA ASN A 63 -5.204 6.784 6.244 1.00 0.00 C ATOM 926 C ASN A 63 -4.721 5.349 6.429 1.00 0.00 C ATOM 927 O ASN A 63 -3.519 5.086 6.463 1.00 0.00 O ATOM 928 CB ASN A 63 -4.299 7.742 7.023 1.00 0.00 C ATOM 929 CG ASN A 63 -4.331 9.151 6.462 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.256 9.523 5.739 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.317 9.942 6.793 1.00 0.00 N ATOM 0 H ASN A 63 -6.696 7.195 7.659 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.157 7.031 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.610 7.762 8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.275 7.368 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.283 10.900 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.572 9.591 7.395 1.00 0.00 H new ATOM 938 N PHE A 64 -5.667 4.423 6.548 1.00 0.00 N ATOM 939 CA PHE A 64 -5.339 3.014 6.729 1.00 0.00 C ATOM 940 C PHE A 64 -6.403 2.122 6.097 1.00 0.00 C ATOM 941 O PHE A 64 -7.531 2.554 5.857 1.00 0.00 O ATOM 942 CB PHE A 64 -5.203 2.687 8.218 1.00 0.00 C ATOM 943 CG PHE A 64 -6.514 2.397 8.891 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.040 1.115 8.888 1.00 0.00 C ATOM 945 CD2 PHE A 64 -7.220 3.406 9.526 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.247 0.846 9.505 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.427 3.142 10.145 1.00 0.00 C ATOM 948 CZ PHE A 64 -8.941 1.860 10.136 1.00 0.00 C ATOM 0 H PHE A 64 -6.667 4.623 6.522 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.387 2.822 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.546 1.825 8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.722 3.525 8.723 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.501 0.318 8.398 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.823 4.410 9.537 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.648 -0.157 9.494 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.968 3.938 10.636 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.883 1.651 10.621 1.00 0.00 H new ATOM 958 N THR A 65 -6.037 0.872 5.828 1.00 0.00 N ATOM 959 CA THR A 65 -6.958 -0.081 5.222 1.00 0.00 C ATOM 960 C THR A 65 -6.708 -1.493 5.741 1.00 0.00 C ATOM 961 O THR A 65 -5.595 -1.825 6.149 1.00 0.00 O ATOM 962 CB THR A 65 -6.836 -0.081 3.687 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.006 -0.666 3.103 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.602 -0.851 3.242 1.00 0.00 C ATOM 0 H THR A 65 -5.108 0.496 6.021 1.00 0.00 H new ATOM 0 HA THR A 65 -7.965 0.232 5.499 1.00 0.00 H new ATOM 0 HB THR A 65 -6.740 0.952 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.169 -0.264 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.537 -0.837 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.711 -0.386 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.672 -1.882 3.588 1.00 0.00 H new ATOM 972 N GLU A 66 -7.749 -2.319 5.721 1.00 0.00 N ATOM 973 CA GLU A 66 -7.641 -3.695 6.190 1.00 0.00 C ATOM 974 C GLU A 66 -7.820 -4.678 5.036 1.00 0.00 C ATOM 975 O GLU A 66 -8.941 -4.948 4.606 1.00 0.00 O ATOM 976 CB GLU A 66 -8.682 -3.971 7.276 1.00 0.00 C ATOM 977 CG GLU A 66 -8.187 -3.677 8.682 1.00 0.00 C ATOM 978 CD GLU A 66 -9.314 -3.338 9.638 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.973 -4.275 10.136 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.537 -2.135 9.889 1.00 0.00 O ATOM 0 H GLU A 66 -8.676 -2.059 5.385 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.645 -3.832 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.569 -3.369 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.987 -5.016 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.643 -4.543 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.482 -2.847 8.649 1.00 0.00 H new ATOM 987 N ILE A 67 -6.707 -5.209 4.541 1.00 0.00 N ATOM 988 CA ILE A 67 -6.741 -6.162 3.439 1.00 0.00 C ATOM 989 C ILE A 67 -7.029 -7.573 3.941 1.00 0.00 C ATOM 990 O ILE A 67 -6.139 -8.261 4.440 1.00 0.00 O ATOM 991 CB ILE A 67 -5.413 -6.169 2.659 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.136 -4.785 2.068 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.448 -7.222 1.562 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.663 -4.468 1.933 1.00 0.00 C ATOM 0 H ILE A 67 -5.771 -4.995 4.886 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.543 -5.845 2.773 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.606 -6.417 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.605 -4.718 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.605 -4.029 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.502 -7.214 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.604 -8.205 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.263 -7.002 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.543 -3.472 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.192 -4.502 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.191 -5.201 1.279 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.280 -8.000 3.802 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.688 -9.330 4.238 1.00 0.00 C ATOM 1008 C LYS A 68 -8.624 -10.324 3.083 1.00 0.00 C ATOM 1009 O LYS A 68 -8.189 -9.985 1.984 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.106 -9.289 4.811 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.394 -8.045 5.634 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.671 -8.195 6.444 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.611 -7.390 7.733 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.967 -6.981 8.195 1.00 0.00 N ATOM 0 H LYS A 68 -9.029 -7.443 3.390 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.998 -9.658 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.822 -9.346 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.263 -10.170 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.557 -7.850 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.481 -7.182 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.522 -7.866 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.833 -9.247 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.126 -7.982 8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.997 -6.503 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.883 -6.435 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.420 -6.394 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.545 -7.828 8.367 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.060 -11.553 3.341 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.052 -12.596 2.322 1.00 0.00 C ATOM 1030 C ASN A 69 -7.625 -12.940 1.906 1.00 0.00 C ATOM 1031 O ASN A 69 -7.321 -13.039 0.717 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.859 -12.151 1.101 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.132 -11.421 1.483 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.906 -11.895 2.315 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.354 -10.261 0.876 1.00 0.00 N ATOM 0 H ASN A 69 -9.423 -11.851 4.247 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.512 -13.488 2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.243 -11.501 0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.111 -13.023 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.194 -9.724 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.685 -9.907 0.193 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.754 -13.120 2.893 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.358 -13.454 2.630 1.00 0.00 C ATOM 1044 C LEU A 70 -5.022 -14.845 3.155 1.00 0.00 C ATOM 1045 O LEU A 70 -5.854 -15.500 3.786 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.436 -12.417 3.273 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.645 -10.967 2.833 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -3.761 -10.031 3.641 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.365 -10.816 1.345 1.00 0.00 C ATOM 0 H LEU A 70 -6.989 -13.040 3.882 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.206 -13.448 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.562 -12.469 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.404 -12.695 3.059 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.685 -10.698 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.924 -9.004 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.010 -10.118 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.715 -10.298 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.519 -9.778 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.334 -11.104 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.041 -11.458 0.781 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.799 -15.292 2.894 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.351 -16.605 3.343 1.00 0.00 C ATOM 1063 C LEU A 71 -2.391 -16.480 4.521 1.00 0.00 C ATOM 1064 O LEU A 71 -1.375 -15.790 4.437 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.673 -17.355 2.194 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.470 -17.453 0.893 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.533 -17.565 -0.300 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.423 -18.638 0.939 1.00 0.00 C ATOM 0 H LEU A 71 -3.099 -14.764 2.373 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.225 -17.168 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.723 -16.866 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.442 -18.365 2.532 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.060 -16.543 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.118 -17.634 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.892 -16.684 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.916 -18.457 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.982 -18.692 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.854 -19.558 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.117 -18.515 1.770 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.718 -17.154 5.619 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.883 -17.121 6.814 1.00 0.00 C ATOM 1082 C VAL A 72 -0.476 -17.624 6.514 1.00 0.00 C ATOM 1083 O VAL A 72 -0.294 -18.577 5.758 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.490 -17.971 7.946 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.846 -17.419 8.360 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.606 -19.426 7.517 1.00 0.00 C ATOM 0 H VAL A 72 -3.556 -17.730 5.706 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.833 -16.081 7.137 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.826 -17.923 8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.259 -18.032 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.730 -16.394 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.522 -17.435 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.037 -20.012 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.248 -19.496 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.617 -19.814 7.275 1.00 0.00 H new ATOM 1096 N ASN A 73 0.518 -16.977 7.114 1.00 0.00 N ATOM 1097 CA ASN A 73 1.911 -17.359 6.912 1.00 0.00 C ATOM 1098 C ASN A 73 2.321 -17.169 5.455 1.00 0.00 C ATOM 1099 O ASN A 73 3.028 -17.999 4.883 1.00 0.00 O ATOM 1100 CB ASN A 73 2.128 -18.815 7.328 1.00 0.00 C ATOM 1101 CG ASN A 73 2.508 -18.948 8.790 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.624 -19.352 9.119 1.00 0.00 O ATOM 1103 ND2 ASN A 73 1.580 -18.608 9.677 1.00 0.00 N ATOM 0 H ASN A 73 0.385 -16.186 7.744 1.00 0.00 H new ATOM 0 HA ASN A 73 2.532 -16.714 7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.217 -19.384 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.912 -19.254 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.779 -18.677 10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.668 -18.278 9.360 1.00 0.00 H new ATOM 1110 N THR A 74 1.874 -16.068 4.859 1.00 0.00 N ATOM 1111 CA THR A 74 2.193 -15.768 3.469 1.00 0.00 C ATOM 1112 C THR A 74 2.618 -14.313 3.304 1.00 0.00 C ATOM 1113 O THR A 74 1.969 -13.403 3.822 1.00 0.00 O ATOM 1114 CB THR A 74 0.994 -16.048 2.544 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.608 -17.423 2.645 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.336 -15.716 1.099 1.00 0.00 C ATOM 0 H THR A 74 1.290 -15.369 5.318 1.00 0.00 H new ATOM 0 HA THR A 74 3.020 -16.420 3.187 1.00 0.00 H new ATOM 0 HB THR A 74 0.165 -15.415 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.374 -17.763 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.474 -15.922 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.601 -14.661 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.179 -16.327 0.775 1.00 0.00 H new ATOM 1124 N LEU A 75 3.712 -14.100 2.581 1.00 0.00 N ATOM 1125 CA LEU A 75 4.224 -12.754 2.347 1.00 0.00 C ATOM 1126 C LEU A 75 3.292 -11.969 1.430 1.00 0.00 C ATOM 1127 O LEU A 75 3.004 -12.393 0.310 1.00 0.00 O ATOM 1128 CB LEU A 75 5.625 -12.819 1.736 1.00 0.00 C ATOM 1129 CG LEU A 75 6.398 -11.501 1.687 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.645 -10.470 0.860 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.649 -10.978 3.094 1.00 0.00 C ATOM 0 H LEU A 75 4.261 -14.842 2.147 1.00 0.00 H new ATOM 0 HA LEU A 75 4.277 -12.240 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.213 -13.541 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.539 -13.204 0.720 1.00 0.00 H new ATOM 0 HG LEU A 75 7.361 -11.685 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.211 -9.539 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.517 -10.842 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.667 -10.289 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.200 -10.039 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.696 -10.811 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.231 -11.709 3.655 1.00 0.00 H new ATOM 1143 N TYR A 76 2.827 -10.821 1.910 1.00 0.00 N ATOM 1144 CA TYR A 76 1.927 -9.976 1.133 1.00 0.00 C ATOM 1145 C TYR A 76 2.486 -8.563 1.001 1.00 0.00 C ATOM 1146 O TYR A 76 2.927 -7.961 1.982 1.00 0.00 O ATOM 1147 CB TYR A 76 0.545 -9.931 1.786 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.387 -11.021 1.307 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -1.182 -10.837 0.183 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.473 -12.233 1.980 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -2.035 -11.830 -0.259 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.323 -13.232 1.545 1.00 0.00 C ATOM 1153 CZ TYR A 76 -2.102 -13.026 0.426 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.951 -14.018 -0.010 1.00 0.00 O ATOM 0 H TYR A 76 3.058 -10.454 2.833 1.00 0.00 H new ATOM 0 HA TYR A 76 1.836 -10.406 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.660 -10.012 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.089 -8.961 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.133 -9.902 -0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.134 -12.397 2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.646 -11.671 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.377 -14.169 2.079 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.480 -14.596 -0.646 1.00 0.00 H new ATOM 1164 N THR A 77 2.465 -8.036 -0.219 1.00 0.00 N ATOM 1165 CA THR A 77 2.970 -6.695 -0.482 1.00 0.00 C ATOM 1166 C THR A 77 1.826 -5.712 -0.710 1.00 0.00 C ATOM 1167 O THR A 77 0.970 -5.929 -1.567 1.00 0.00 O ATOM 1168 CB THR A 77 3.901 -6.675 -1.709 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.023 -7.535 -1.486 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.387 -5.262 -1.997 1.00 0.00 C ATOM 0 H THR A 77 2.103 -8.519 -1.041 1.00 0.00 H new ATOM 0 HA THR A 77 3.536 -6.392 0.399 1.00 0.00 H new ATOM 0 HB THR A 77 3.337 -7.031 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.609 -7.518 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.043 -5.273 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.532 -4.616 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.935 -4.883 -1.135 1.00 0.00 H new ATOM 1178 N VAL A 78 1.819 -4.630 0.062 1.00 0.00 N ATOM 1179 CA VAL A 78 0.781 -3.613 -0.057 1.00 0.00 C ATOM 1180 C VAL A 78 1.386 -2.242 -0.337 1.00 0.00 C ATOM 1181 O VAL A 78 2.463 -1.914 0.161 1.00 0.00 O ATOM 1182 CB VAL A 78 -0.076 -3.533 1.220 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -1.325 -2.701 0.974 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.442 -4.929 1.704 1.00 0.00 C ATOM 0 H VAL A 78 2.520 -4.435 0.776 1.00 0.00 H new ATOM 0 HA VAL A 78 0.146 -3.905 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 78 0.509 -3.044 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.918 -2.656 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.038 -1.692 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.916 -3.158 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.048 -4.854 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.008 -5.446 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.468 -5.488 1.923 1.00 0.00 H new ATOM 1194 N ARG A 79 0.685 -1.444 -1.135 1.00 0.00 N ATOM 1195 CA ARG A 79 1.152 -0.108 -1.482 1.00 0.00 C ATOM 1196 C ARG A 79 -0.004 0.888 -1.493 1.00 0.00 C ATOM 1197 O ARG A 79 -1.088 0.591 -1.998 1.00 0.00 O ATOM 1198 CB ARG A 79 1.839 -0.123 -2.849 1.00 0.00 C ATOM 1199 CG ARG A 79 0.902 -0.464 -3.997 1.00 0.00 C ATOM 1200 CD ARG A 79 1.656 -0.594 -5.311 1.00 0.00 C ATOM 1201 NE ARG A 79 0.824 -0.236 -6.457 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.196 -0.413 -7.720 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.381 -0.940 -7.997 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.383 -0.063 -8.708 1.00 0.00 N ATOM 0 H ARG A 79 -0.209 -1.700 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 79 1.871 0.205 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.285 0.854 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.654 -0.847 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.383 -1.398 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.140 0.310 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.537 0.047 -5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.010 -1.618 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.093 0.172 -6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.009 -1.210 -7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.665 -1.075 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.529 0.343 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.670 -0.199 -9.677 1.00 0.00 H new ATOM 1218 N VAL A 80 0.233 2.069 -0.932 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.788 3.108 -0.877 1.00 0.00 C ATOM 1220 C VAL A 80 -0.438 4.272 -1.798 1.00 0.00 C ATOM 1221 O VAL A 80 0.727 4.646 -1.927 1.00 0.00 O ATOM 1222 CB VAL A 80 -0.972 3.640 0.556 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.149 4.601 0.623 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.158 2.488 1.532 1.00 0.00 C ATOM 0 H VAL A 80 1.124 2.330 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.721 2.652 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.072 4.186 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.263 4.966 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.970 5.443 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.059 4.084 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.287 2.882 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.041 1.913 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.280 1.842 1.504 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.456 4.841 -2.437 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.256 5.964 -3.344 1.00 0.00 C ATOM 1236 C ALA A 81 -2.346 7.015 -3.164 1.00 0.00 C ATOM 1237 O ALA A 81 -3.527 6.687 -3.061 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.222 5.478 -4.786 1.00 0.00 C ATOM 0 H ALA A 81 -2.427 4.542 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.298 6.426 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.072 6.327 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.404 4.769 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.166 4.989 -5.028 1.00 0.00 H new ATOM 1244 N ALA A 82 -1.940 8.280 -3.127 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.882 9.380 -2.961 1.00 0.00 C ATOM 1246 C ALA A 82 -3.560 9.727 -4.282 1.00 0.00 C ATOM 1247 O ALA A 82 -2.894 9.937 -5.296 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.174 10.600 -2.392 1.00 0.00 C ATOM 0 H ALA A 82 -0.965 8.568 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.654 9.062 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.890 11.414 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.743 10.351 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.381 10.911 -3.072 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.887 9.786 -4.264 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.655 10.108 -5.461 1.00 0.00 C ATOM 1256 C VAL A 83 -6.009 11.591 -5.504 1.00 0.00 C ATOM 1257 O VAL A 83 -6.276 12.207 -4.472 1.00 0.00 O ATOM 1258 CB VAL A 83 -6.951 9.279 -5.537 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -7.994 9.995 -6.381 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.664 7.892 -6.091 1.00 0.00 C ATOM 0 H VAL A 83 -5.453 9.615 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.026 9.863 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.350 9.167 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.903 9.394 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.220 10.964 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.608 10.141 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.591 7.320 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.241 7.980 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.954 7.380 -5.441 1.00 0.00 H new ATOM 1270 N THR A 84 -6.011 12.158 -6.706 1.00 0.00 N ATOM 1271 CA THR A 84 -6.332 13.569 -6.884 1.00 0.00 C ATOM 1272 C THR A 84 -7.402 13.758 -7.954 1.00 0.00 C ATOM 1273 O THR A 84 -7.744 12.821 -8.676 1.00 0.00 O ATOM 1274 CB THR A 84 -5.085 14.384 -7.272 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.342 13.692 -8.282 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.198 14.626 -6.060 1.00 0.00 C ATOM 0 H THR A 84 -5.794 11.662 -7.571 1.00 0.00 H new ATOM 0 HA THR A 84 -6.710 13.931 -5.928 1.00 0.00 H new ATOM 0 HB THR A 84 -5.415 15.348 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.551 14.218 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.323 15.204 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.757 15.178 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.877 13.670 -5.647 1.00 0.00 H new ATOM 1284 N SER A 85 -7.926 14.976 -8.051 1.00 0.00 N ATOM 1285 CA SER A 85 -8.960 15.287 -9.031 1.00 0.00 C ATOM 1286 C SER A 85 -8.698 14.560 -10.347 1.00 0.00 C ATOM 1287 O SER A 85 -9.611 13.996 -10.950 1.00 0.00 O ATOM 1288 CB SER A 85 -9.025 16.796 -9.273 1.00 0.00 C ATOM 1289 OG SER A 85 -10.052 17.121 -10.195 1.00 0.00 O ATOM 0 H SER A 85 -7.652 15.763 -7.463 1.00 0.00 H new ATOM 0 HA SER A 85 -9.917 14.948 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.203 17.312 -8.329 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.066 17.148 -9.653 1.00 0.00 H new ATOM 0 HG SER A 85 -10.074 18.091 -10.332 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.443 14.579 -10.786 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.060 13.923 -12.030 1.00 0.00 C ATOM 1297 C ARG A 86 -7.145 12.406 -11.894 1.00 0.00 C ATOM 1298 O ARG A 86 -7.865 11.745 -12.642 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.640 14.331 -12.430 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.313 14.050 -13.887 1.00 0.00 C ATOM 1301 CD ARG A 86 -3.813 14.080 -14.137 1.00 0.00 C ATOM 1302 NE ARG A 86 -3.150 12.879 -13.637 1.00 0.00 N ATOM 1303 CZ ARG A 86 -3.267 11.684 -14.206 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -4.017 11.533 -15.289 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -2.633 10.638 -13.692 1.00 0.00 N ATOM 0 H ARG A 86 -6.675 15.041 -10.299 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.755 14.240 -12.807 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.509 15.395 -12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.927 13.801 -11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.711 13.075 -14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.803 14.789 -14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.626 14.179 -15.206 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.383 14.958 -13.656 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.565 12.962 -12.805 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.506 12.335 -15.687 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.105 10.615 -15.724 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.055 10.751 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.724 9.721 -14.130 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.404 11.860 -10.934 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.410 10.425 -10.718 1.00 0.00 C ATOM 1321 C GLY A 87 -5.349 9.983 -9.730 1.00 0.00 C ATOM 1322 O GLY A 87 -4.940 10.755 -8.862 1.00 0.00 O ATOM 0 H GLY A 87 -5.800 12.386 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.391 10.120 -10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.251 9.917 -11.669 1.00 0.00 H new ATOM 1326 N ILE A 88 -4.903 8.738 -9.860 1.00 0.00 N ATOM 1327 CA ILE A 88 -3.884 8.196 -8.970 1.00 0.00 C ATOM 1328 C ILE A 88 -2.505 8.751 -9.310 1.00 0.00 C ATOM 1329 O ILE A 88 -2.157 8.902 -10.480 1.00 0.00 O ATOM 1330 CB ILE A 88 -3.838 6.658 -9.039 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.200 6.068 -8.669 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.753 6.119 -8.118 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.361 4.619 -9.074 1.00 0.00 C ATOM 0 H ILE A 88 -5.231 8.086 -10.573 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.155 8.499 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.601 6.362 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.344 6.154 -7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.984 6.659 -9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.733 5.031 -8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.785 6.517 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.963 6.422 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.350 4.267 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.250 4.529 -10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.600 4.016 -8.579 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.723 9.050 -8.278 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.389 9.583 -8.488 1.00 0.00 C ATOM 1347 C GLY A 89 0.696 8.575 -8.165 1.00 0.00 C ATOM 1348 O GLY A 89 0.520 7.376 -8.375 1.00 0.00 O ATOM 0 H GLY A 89 -1.989 8.933 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.288 9.901 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.253 10.469 -7.868 1.00 0.00 H new ATOM 1352 N ASN A 90 1.822 9.063 -7.655 1.00 0.00 N ATOM 1353 CA ASN A 90 2.941 8.196 -7.305 1.00 0.00 C ATOM 1354 C ASN A 90 2.510 7.130 -6.302 1.00 0.00 C ATOM 1355 O ASN A 90 1.572 7.332 -5.531 1.00 0.00 O ATOM 1356 CB ASN A 90 4.091 9.022 -6.726 1.00 0.00 C ATOM 1357 CG ASN A 90 4.207 10.387 -7.376 1.00 0.00 C ATOM 1358 OD1 ASN A 90 3.491 11.322 -7.015 1.00 0.00 O ATOM 1359 ND2 ASN A 90 5.112 10.508 -8.340 1.00 0.00 N ATOM 0 H ASN A 90 1.984 10.054 -7.475 1.00 0.00 H new ATOM 0 HA ASN A 90 3.281 7.699 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.942 9.145 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.027 8.479 -6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.236 11.403 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.684 9.706 -8.607 1.00 0.00 H new ATOM 1366 N TRP A 91 3.202 5.997 -6.318 1.00 0.00 N ATOM 1367 CA TRP A 91 2.892 4.899 -5.409 1.00 0.00 C ATOM 1368 C TRP A 91 3.869 4.868 -4.239 1.00 0.00 C ATOM 1369 O TRP A 91 5.080 4.973 -4.427 1.00 0.00 O ATOM 1370 CB TRP A 91 2.929 3.565 -6.156 1.00 0.00 C ATOM 1371 CG TRP A 91 1.752 3.357 -7.060 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.708 3.564 -8.409 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.449 2.903 -6.679 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.455 3.266 -8.890 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.335 2.858 -7.848 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.132 2.529 -5.464 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.668 2.454 -7.836 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.455 2.129 -5.453 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.211 2.093 -6.633 1.00 0.00 C ATOM 0 H TRP A 91 3.981 5.814 -6.950 1.00 0.00 H new ATOM 0 HA TRP A 91 1.888 5.059 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.844 3.512 -6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.969 2.752 -5.431 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.536 3.911 -9.010 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.161 3.337 -9.864 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.443 2.552 -4.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.252 2.427 -8.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.914 1.839 -4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.242 1.774 -6.592 1.00 0.00 H new ATOM 1390 N SER A 92 3.334 4.724 -3.031 1.00 0.00 N ATOM 1391 CA SER A 92 4.159 4.683 -1.829 1.00 0.00 C ATOM 1392 C SER A 92 5.053 3.446 -1.827 1.00 0.00 C ATOM 1393 O SER A 92 4.663 2.383 -2.310 1.00 0.00 O ATOM 1394 CB SER A 92 3.278 4.691 -0.579 1.00 0.00 C ATOM 1395 OG SER A 92 2.486 3.518 -0.505 1.00 0.00 O ATOM 0 H SER A 92 2.333 4.634 -2.858 1.00 0.00 H new ATOM 0 HA SER A 92 4.793 5.569 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.904 4.768 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.632 5.569 -0.591 1.00 0.00 H new ATOM 0 HG SER A 92 1.844 3.510 -1.245 1.00 0.00 H new ATOM 1401 N ASP A 93 6.255 3.594 -1.279 1.00 0.00 N ATOM 1402 CA ASP A 93 7.205 2.491 -1.212 1.00 0.00 C ATOM 1403 C ASP A 93 6.522 1.213 -0.735 1.00 0.00 C ATOM 1404 O ASP A 93 6.405 0.972 0.467 1.00 0.00 O ATOM 1405 CB ASP A 93 8.364 2.844 -0.277 1.00 0.00 C ATOM 1406 CG ASP A 93 9.393 3.737 -0.943 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.206 4.971 -0.925 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.384 3.202 -1.481 1.00 0.00 O ATOM 0 H ASP A 93 6.594 4.467 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 93 7.596 2.320 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.973 3.343 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.847 1.927 0.061 1.00 0.00 H new ATOM 1413 N SER A 94 6.072 0.399 -1.684 1.00 0.00 N ATOM 1414 CA SER A 94 5.396 -0.852 -1.361 1.00 0.00 C ATOM 1415 C SER A 94 6.129 -1.594 -0.247 1.00 0.00 C ATOM 1416 O SER A 94 7.346 -1.772 -0.300 1.00 0.00 O ATOM 1417 CB SER A 94 5.298 -1.740 -2.603 1.00 0.00 C ATOM 1418 OG SER A 94 6.584 -2.130 -3.053 1.00 0.00 O ATOM 0 H SER A 94 6.163 0.583 -2.683 1.00 0.00 H new ATOM 0 HA SER A 94 4.390 -0.613 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.705 -2.626 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.778 -1.204 -3.397 1.00 0.00 H new ATOM 0 HG SER A 94 7.235 -2.006 -2.331 1.00 0.00 H new ATOM 1424 N LYS A 95 5.379 -2.026 0.761 1.00 0.00 N ATOM 1425 CA LYS A 95 5.955 -2.750 1.888 1.00 0.00 C ATOM 1426 C LYS A 95 5.522 -4.213 1.872 1.00 0.00 C ATOM 1427 O LYS A 95 4.603 -4.591 1.145 1.00 0.00 O ATOM 1428 CB LYS A 95 5.537 -2.098 3.207 1.00 0.00 C ATOM 1429 CG LYS A 95 6.113 -0.707 3.407 1.00 0.00 C ATOM 1430 CD LYS A 95 7.572 -0.762 3.825 1.00 0.00 C ATOM 1431 CE LYS A 95 8.281 0.556 3.552 1.00 0.00 C ATOM 1432 NZ LYS A 95 9.583 0.644 4.270 1.00 0.00 N ATOM 0 H LYS A 95 4.370 -1.887 0.821 1.00 0.00 H new ATOM 0 HA LYS A 95 7.041 -2.709 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.449 -2.041 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.852 -2.735 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.020 -0.137 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.536 -0.179 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.639 -0.999 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.076 -1.565 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.449 0.663 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.641 1.383 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.035 1.556 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.420 0.568 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.204 -0.130 3.959 1.00 0.00 H new ATOM 1446 N SER A 96 6.189 -5.031 2.680 1.00 0.00 N ATOM 1447 CA SER A 96 5.875 -6.453 2.757 1.00 0.00 C ATOM 1448 C SER A 96 5.649 -6.882 4.204 1.00 0.00 C ATOM 1449 O SER A 96 6.173 -6.268 5.133 1.00 0.00 O ATOM 1450 CB SER A 96 7.003 -7.281 2.138 1.00 0.00 C ATOM 1451 OG SER A 96 8.265 -6.682 2.378 1.00 0.00 O ATOM 0 H SER A 96 6.950 -4.733 3.290 1.00 0.00 H new ATOM 0 HA SER A 96 4.957 -6.628 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.990 -8.288 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.841 -7.378 1.064 1.00 0.00 H new ATOM 0 HG SER A 96 8.970 -7.231 1.974 1.00 0.00 H new ATOM 1457 N ILE A 97 4.865 -7.939 4.385 1.00 0.00 N ATOM 1458 CA ILE A 97 4.570 -8.451 5.718 1.00 0.00 C ATOM 1459 C ILE A 97 4.077 -9.893 5.656 1.00 0.00 C ATOM 1460 O ILE A 97 3.217 -10.233 4.843 1.00 0.00 O ATOM 1461 CB ILE A 97 3.511 -7.589 6.430 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.418 -7.974 7.908 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.158 -7.743 5.751 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.644 -6.979 8.744 1.00 0.00 C ATOM 0 H ILE A 97 4.423 -8.458 3.626 1.00 0.00 H new ATOM 0 HA ILE A 97 5.500 -8.411 6.285 1.00 0.00 H new ATOM 0 HB ILE A 97 3.812 -6.543 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.945 -8.952 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.425 -8.072 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.420 -7.128 6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.234 -7.424 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.849 -8.788 5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.619 -7.316 9.780 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.129 -6.004 8.691 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.626 -6.899 8.364 1.00 0.00 H new ATOM 1476 N THR A 98 4.627 -10.738 6.523 1.00 0.00 N ATOM 1477 CA THR A 98 4.244 -12.143 6.568 1.00 0.00 C ATOM 1478 C THR A 98 3.139 -12.379 7.592 1.00 0.00 C ATOM 1479 O THR A 98 3.346 -12.211 8.794 1.00 0.00 O ATOM 1480 CB THR A 98 5.446 -13.042 6.911 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.546 -12.741 6.044 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.078 -14.512 6.778 1.00 0.00 C ATOM 0 H THR A 98 5.339 -10.473 7.203 1.00 0.00 H new ATOM 0 HA THR A 98 3.877 -12.403 5.575 1.00 0.00 H new ATOM 0 HB THR A 98 5.734 -12.847 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.307 -13.316 6.270 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.943 -15.127 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.260 -14.745 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.767 -14.718 5.754 1.00 0.00 H new ATOM 1490 N THR A 99 1.964 -12.771 7.109 1.00 0.00 N ATOM 1491 CA THR A 99 0.827 -13.030 7.982 1.00 0.00 C ATOM 1492 C THR A 99 1.121 -14.176 8.944 1.00 0.00 C ATOM 1493 O THR A 99 2.158 -14.832 8.843 1.00 0.00 O ATOM 1494 CB THR A 99 -0.438 -13.369 7.171 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.158 -14.423 6.243 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.942 -12.146 6.419 1.00 0.00 C ATOM 0 H THR A 99 1.776 -12.916 6.117 1.00 0.00 H new ATOM 0 HA THR A 99 0.652 -12.117 8.551 1.00 0.00 H new ATOM 0 HB THR A 99 -1.212 -13.694 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.925 -14.545 5.646 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.836 -12.409 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.182 -11.355 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.169 -11.796 5.734 1.00 0.00 H new ATOM 1504 N ILE A 100 0.203 -14.411 9.875 1.00 0.00 N ATOM 1505 CA ILE A 100 0.365 -15.479 10.853 1.00 0.00 C ATOM 1506 C ILE A 100 -0.918 -16.292 10.997 1.00 0.00 C ATOM 1507 O ILE A 100 -2.018 -15.779 10.790 1.00 0.00 O ATOM 1508 CB ILE A 100 0.764 -14.923 12.233 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.326 -13.991 12.766 1.00 0.00 C ATOM 1510 CG2 ILE A 100 2.096 -14.193 12.145 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.295 -13.822 14.269 1.00 0.00 C ATOM 0 H ILE A 100 -0.660 -13.876 9.973 1.00 0.00 H new ATOM 0 HA ILE A 100 1.163 -16.125 10.486 1.00 0.00 H new ATOM 0 HB ILE A 100 0.874 -15.757 12.926 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.218 -13.013 12.296 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.301 -14.380 12.472 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.364 -13.806 13.128 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.867 -14.883 11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.012 -13.366 11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.095 -13.149 14.576 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.433 -14.792 14.747 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.666 -13.404 14.568 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.769 -17.563 11.354 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.914 -18.448 11.529 1.00 0.00 C ATOM 1525 C LYS A 101 -2.515 -18.291 12.922 1.00 0.00 C ATOM 1526 O LYS A 101 -3.209 -19.181 13.413 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.500 -19.904 11.302 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.673 -20.845 11.095 1.00 0.00 C ATOM 1529 CD LYS A 101 -2.368 -22.239 11.617 1.00 0.00 C ATOM 1530 CE LYS A 101 -3.468 -23.224 11.251 1.00 0.00 C ATOM 1531 NZ LYS A 101 -2.984 -24.632 11.280 1.00 0.00 N ATOM 0 H LYS A 101 0.134 -18.003 11.528 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.669 -18.173 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.846 -19.955 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.918 -20.245 12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.552 -20.449 11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.915 -20.898 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.419 -22.583 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.253 -22.206 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.301 -23.112 11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.848 -22.991 10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.763 -25.272 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.206 -24.746 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.645 -24.863 12.236 1.00 0.00 H new