USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 843 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 23 SER OG : rot 90:sc= 0.031 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.0325 USER MOD Set 2.1: A 9 SER OG : rot -130:sc= 0.372 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 168:sc= 0.4 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl -141:sc= 0 (180deg=0) USER MOD Set 3.2: A 4 HIS :FLIP no HD1:sc= -0.061 F(o=-0.62,f=-0.061) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.15) USER MOD Single : A 5 HIS : no HE2:sc= 0.438 K(o=0.44,f=-1.6!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.0026) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -153:sc= -1.19 (180deg=-1.58!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 18 THR OG1 : rot -80:sc= -0.0627 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0716 K(o=-0.072,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -146:sc= 0 (180deg=-0.475) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 56:sc= 0.873 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.03) USER MOD Single : A 63 SER OG : rot -56:sc= 0.507 USER MOD Single : A 70 SER OG : rot 71:sc= -0.319 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.87 (180deg=0.869) USER MOD Single : A 77 ASN : amide:sc= -0.335 K(o=-0.34,f=-3.7!) USER MOD Single : A 83 ASN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -140:sc=-0.00444 USER MOD Single : A 92 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 94 MET CE :methyl -143:sc= -0.305 (180deg=-0.569) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.505 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.953 -31.100 1.860 1.00 63.45 N ATOM 2 CA MET A 1 -12.900 -31.219 2.893 1.00 31.54 C ATOM 3 C MET A 1 -12.539 -29.808 3.375 1.00 63.34 C ATOM 4 O MET A 1 -12.730 -29.469 4.548 1.00 61.10 O ATOM 5 CB MET A 1 -11.662 -31.975 2.314 1.00 22.44 C ATOM 6 CG MET A 1 -10.668 -32.536 3.356 1.00 13.41 C ATOM 7 SD MET A 1 -9.824 -31.276 4.332 1.00 54.14 S ATOM 8 CE MET A 1 -8.727 -32.277 5.343 1.00 3.21 C ATOM 0 H1 MET A 1 -14.213 -32.047 1.519 1.00 63.45 H new ATOM 0 H2 MET A 1 -14.790 -30.637 2.269 1.00 63.45 H new ATOM 0 H3 MET A 1 -13.597 -30.531 1.065 1.00 63.45 H new ATOM 0 HA MET A 1 -13.257 -31.801 3.743 1.00 31.54 H new ATOM 0 HB2 MET A 1 -12.019 -32.801 1.699 1.00 22.44 H new ATOM 0 HB3 MET A 1 -11.122 -31.297 1.653 1.00 22.44 H new ATOM 0 HG2 MET A 1 -11.205 -33.202 4.031 1.00 13.41 H new ATOM 0 HG3 MET A 1 -9.921 -33.140 2.840 1.00 13.41 H new ATOM 0 HE1 MET A 1 -8.682 -31.863 6.350 1.00 3.21 H new ATOM 0 HE2 MET A 1 -9.104 -33.299 5.387 1.00 3.21 H new ATOM 0 HE3 MET A 1 -7.728 -32.277 4.906 1.00 3.21 H new ATOM 20 N GLY A 2 -12.048 -28.977 2.436 1.00 23.44 N ATOM 21 CA GLY A 2 -11.679 -27.589 2.720 1.00 53.53 C ATOM 22 C GLY A 2 -10.234 -27.478 3.187 1.00 45.01 C ATOM 23 O GLY A 2 -9.777 -28.318 3.978 1.00 11.02 O ATOM 0 H GLY A 2 -11.899 -29.253 1.465 1.00 23.44 H new ATOM 0 HA2 GLY A 2 -11.820 -26.984 1.825 1.00 53.53 H new ATOM 0 HA3 GLY A 2 -12.342 -27.185 3.485 1.00 53.53 H new ATOM 27 N HIS A 3 -9.509 -26.450 2.694 1.00 42.53 N ATOM 28 CA HIS A 3 -8.098 -26.189 3.071 1.00 4.41 C ATOM 29 C HIS A 3 -8.027 -25.643 4.523 1.00 33.35 C ATOM 30 O HIS A 3 -7.858 -24.440 4.771 1.00 32.34 O ATOM 31 CB HIS A 3 -7.379 -25.266 2.021 1.00 10.31 C ATOM 32 CG HIS A 3 -7.913 -23.853 1.861 1.00 42.44 C ATOM 33 ND1 HIS A 3 -7.099 -22.786 1.554 1.00 70.31 N ATOM 34 CD2 HIS A 3 -9.164 -23.342 1.949 1.00 2.54 C ATOM 35 CE1 HIS A 3 -7.818 -21.691 1.471 1.00 22.22 C ATOM 36 NE2 HIS A 3 -9.076 -22.000 1.699 1.00 33.32 N ATOM 0 H HIS A 3 -9.883 -25.777 2.024 1.00 42.53 H new ATOM 0 HA HIS A 3 -7.546 -27.129 3.055 1.00 4.41 H new ATOM 0 HB2 HIS A 3 -6.326 -25.201 2.293 1.00 10.31 H new ATOM 0 HB3 HIS A 3 -7.427 -25.758 1.049 1.00 10.31 H new ATOM 0 HD2 HIS A 3 -10.065 -23.893 2.175 1.00 2.54 H new ATOM 0 HE1 HIS A 3 -7.440 -20.703 1.252 1.00 22.22 H new ATOM 0 HE2 HIS A 3 -9.858 -21.346 1.691 1.00 33.32 H new ATOM 45 N HIS A 4 -8.197 -26.582 5.472 1.00 60.00 N ATOM 46 CA HIS A 4 -8.319 -26.312 6.918 1.00 41.20 C ATOM 47 C HIS A 4 -7.006 -25.747 7.503 1.00 55.14 C ATOM 48 O HIS A 4 -5.962 -26.407 7.462 1.00 75.23 O ATOM 49 CB HIS A 4 -8.763 -27.611 7.670 1.00 62.04 C ATOM 50 CG HIS A 4 -7.803 -28.791 7.597 1.00 2.10 C ATOM 51 ND1 HIS A 4 -7.025 -29.268 6.585 1.00 53.52 N flip ATOM 52 CD2 HIS A 4 -7.569 -29.629 8.663 1.00 53.33 C flip ATOM 53 CE1 HIS A 4 -6.346 -30.351 7.067 1.00 0.32 C flip ATOM 54 NE2 HIS A 4 -6.686 -30.547 8.318 1.00 22.24 N flip ATOM 0 H HIS A 4 -8.255 -27.576 5.249 1.00 60.00 H new ATOM 0 HA HIS A 4 -9.084 -25.549 7.060 1.00 41.20 H new ATOM 0 HB2 HIS A 4 -8.921 -27.362 8.719 1.00 62.04 H new ATOM 0 HB3 HIS A 4 -9.726 -27.927 7.269 1.00 62.04 H new ATOM 0 HD2 HIS A 4 -8.036 -29.548 9.633 1.00 53.33 H new ATOM 0 HE1 HIS A 4 -5.642 -30.949 6.508 1.00 0.32 H new ATOM 0 HE2 HIS A 4 -6.328 -31.286 8.923 1.00 22.24 H new ATOM 63 N HIS A 5 -7.055 -24.510 8.016 1.00 71.20 N ATOM 64 CA HIS A 5 -5.900 -23.876 8.667 1.00 21.14 C ATOM 65 C HIS A 5 -6.338 -23.204 9.974 1.00 51.42 C ATOM 66 O HIS A 5 -7.292 -22.417 9.995 1.00 50.44 O ATOM 67 CB HIS A 5 -5.184 -22.880 7.708 1.00 34.31 C ATOM 68 CG HIS A 5 -6.023 -21.739 7.191 1.00 11.23 C ATOM 69 ND1 HIS A 5 -7.003 -21.907 6.242 1.00 22.14 N ATOM 70 CD2 HIS A 5 -6.006 -20.409 7.476 1.00 24.42 C ATOM 71 CE1 HIS A 5 -7.544 -20.743 5.959 1.00 75.41 C ATOM 72 NE2 HIS A 5 -6.962 -19.823 6.693 1.00 41.53 N ATOM 0 H HIS A 5 -7.890 -23.924 7.992 1.00 71.20 H new ATOM 0 HA HIS A 5 -5.170 -24.647 8.913 1.00 21.14 H new ATOM 0 HB2 HIS A 5 -4.321 -22.464 8.228 1.00 34.31 H new ATOM 0 HB3 HIS A 5 -4.802 -23.440 6.854 1.00 34.31 H new ATOM 0 HD1 HIS A 5 -7.269 -22.798 5.822 1.00 22.14 H new ATOM 0 HD2 HIS A 5 -5.361 -19.911 8.185 1.00 24.42 H new ATOM 0 HE1 HIS A 5 -8.334 -20.572 5.243 1.00 75.41 H new ATOM 81 N HIS A 6 -5.640 -23.549 11.068 1.00 15.51 N ATOM 82 CA HIS A 6 -5.882 -22.988 12.410 1.00 31.21 C ATOM 83 C HIS A 6 -5.003 -21.752 12.658 1.00 64.14 C ATOM 84 O HIS A 6 -5.095 -21.143 13.732 1.00 42.14 O ATOM 85 CB HIS A 6 -5.616 -24.060 13.508 1.00 3.12 C ATOM 86 CG HIS A 6 -6.629 -25.172 13.582 1.00 4.02 C ATOM 87 ND1 HIS A 6 -6.309 -26.444 13.996 1.00 64.01 N ATOM 88 CD2 HIS A 6 -7.971 -25.177 13.383 1.00 64.34 C ATOM 89 CE1 HIS A 6 -7.398 -27.180 14.044 1.00 14.45 C ATOM 90 NE2 HIS A 6 -8.417 -26.435 13.676 1.00 73.52 N ATOM 0 H HIS A 6 -4.883 -24.233 11.047 1.00 15.51 H new ATOM 0 HA HIS A 6 -6.927 -22.683 12.460 1.00 31.21 H new ATOM 0 HB2 HIS A 6 -4.633 -24.498 13.334 1.00 3.12 H new ATOM 0 HB3 HIS A 6 -5.577 -23.562 14.477 1.00 3.12 H new ATOM 0 HD2 HIS A 6 -8.574 -24.343 13.055 1.00 64.34 H new ATOM 0 HE1 HIS A 6 -7.447 -28.219 14.336 1.00 14.45 H new ATOM 0 HE2 HIS A 6 -9.387 -26.747 13.618 1.00 73.52 H new ATOM 99 N HIS A 7 -4.148 -21.396 11.669 1.00 63.02 N ATOM 100 CA HIS A 7 -3.274 -20.216 11.751 1.00 22.51 C ATOM 101 C HIS A 7 -4.102 -18.918 11.691 1.00 63.32 C ATOM 102 O HIS A 7 -4.396 -18.392 10.607 1.00 55.21 O ATOM 103 CB HIS A 7 -2.178 -20.232 10.644 1.00 71.24 C ATOM 104 CG HIS A 7 -1.070 -21.238 10.845 1.00 71.15 C ATOM 105 ND1 HIS A 7 -0.273 -21.682 9.813 1.00 32.30 N ATOM 106 CD2 HIS A 7 -0.607 -21.856 11.960 1.00 45.11 C ATOM 107 CE1 HIS A 7 0.616 -22.531 10.279 1.00 73.34 C ATOM 108 NE2 HIS A 7 0.441 -22.651 11.576 1.00 15.31 N ATOM 0 H HIS A 7 -4.050 -21.920 10.799 1.00 63.02 H new ATOM 0 HA HIS A 7 -2.763 -20.252 12.713 1.00 22.51 H new ATOM 0 HB2 HIS A 7 -2.657 -20.431 9.685 1.00 71.24 H new ATOM 0 HB3 HIS A 7 -1.736 -19.238 10.580 1.00 71.24 H new ATOM 0 HD2 HIS A 7 -0.992 -21.743 12.963 1.00 45.11 H new ATOM 0 HE1 HIS A 7 1.365 -23.044 9.694 1.00 73.34 H new ATOM 0 HE2 HIS A 7 0.996 -23.241 12.197 1.00 15.31 H new ATOM 117 N HIS A 8 -4.539 -18.465 12.877 1.00 32.14 N ATOM 118 CA HIS A 8 -5.117 -17.134 13.075 1.00 41.10 C ATOM 119 C HIS A 8 -3.958 -16.176 13.350 1.00 41.54 C ATOM 120 O HIS A 8 -3.489 -16.058 14.492 1.00 43.34 O ATOM 121 CB HIS A 8 -6.148 -17.128 14.232 1.00 3.13 C ATOM 122 CG HIS A 8 -7.435 -17.829 13.908 1.00 45.32 C ATOM 123 ND1 HIS A 8 -8.600 -17.151 13.625 1.00 50.42 N ATOM 124 CD2 HIS A 8 -7.747 -19.143 13.824 1.00 64.53 C ATOM 125 CE1 HIS A 8 -9.561 -18.011 13.388 1.00 40.13 C ATOM 126 NE2 HIS A 8 -9.073 -19.225 13.506 1.00 1.42 N ATOM 0 H HIS A 8 -4.499 -19.021 13.731 1.00 32.14 H new ATOM 0 HA HIS A 8 -5.665 -16.821 12.186 1.00 41.10 H new ATOM 0 HB2 HIS A 8 -5.700 -17.600 15.107 1.00 3.13 H new ATOM 0 HB3 HIS A 8 -6.367 -16.095 14.504 1.00 3.13 H new ATOM 0 HD2 HIS A 8 -7.073 -19.973 13.979 1.00 64.53 H new ATOM 0 HE1 HIS A 8 -10.582 -17.763 13.138 1.00 40.13 H new ATOM 0 HE2 HIS A 8 -9.599 -20.090 13.380 1.00 1.42 H new ATOM 135 N SER A 9 -3.452 -15.576 12.266 1.00 3.24 N ATOM 136 CA SER A 9 -2.280 -14.703 12.289 1.00 15.12 C ATOM 137 C SER A 9 -2.515 -13.467 13.177 1.00 52.32 C ATOM 138 O SER A 9 -3.606 -12.878 13.152 1.00 62.42 O ATOM 139 CB SER A 9 -1.963 -14.252 10.851 1.00 2.40 C ATOM 140 OG SER A 9 -1.893 -15.357 9.962 1.00 73.22 O ATOM 0 H SER A 9 -3.854 -15.687 11.335 1.00 3.24 H new ATOM 0 HA SER A 9 -1.442 -15.261 12.706 1.00 15.12 H new ATOM 0 HB2 SER A 9 -2.730 -13.557 10.509 1.00 2.40 H new ATOM 0 HB3 SER A 9 -1.016 -13.713 10.838 1.00 2.40 H new ATOM 0 HG SER A 9 -1.066 -15.304 9.439 1.00 73.22 H new ATOM 146 N HIS A 10 -1.489 -13.100 13.965 1.00 32.24 N ATOM 147 CA HIS A 10 -1.436 -11.803 14.649 1.00 63.41 C ATOM 148 C HIS A 10 -1.150 -10.728 13.586 1.00 21.11 C ATOM 149 O HIS A 10 -0.002 -10.336 13.351 1.00 44.44 O ATOM 150 CB HIS A 10 -0.377 -11.819 15.785 1.00 31.53 C ATOM 151 CG HIS A 10 -0.755 -12.718 16.940 1.00 2.24 C ATOM 152 ND1 HIS A 10 -0.312 -14.018 17.071 1.00 5.31 N ATOM 153 CD2 HIS A 10 -1.562 -12.499 18.004 1.00 61.42 C ATOM 154 CE1 HIS A 10 -0.830 -14.554 18.157 1.00 21.41 C ATOM 155 NE2 HIS A 10 -1.590 -13.650 18.738 1.00 64.31 N ATOM 0 H HIS A 10 -0.679 -13.693 14.143 1.00 32.24 H new ATOM 0 HA HIS A 10 -2.386 -11.580 15.135 1.00 63.41 H new ATOM 0 HB2 HIS A 10 0.579 -12.146 15.377 1.00 31.53 H new ATOM 0 HB3 HIS A 10 -0.235 -10.804 16.155 1.00 31.53 H new ATOM 0 HD2 HIS A 10 -2.087 -11.583 18.231 1.00 61.42 H new ATOM 0 HE1 HIS A 10 -0.661 -15.561 18.510 1.00 21.41 H new ATOM 0 HE2 HIS A 10 -2.117 -13.788 19.601 1.00 64.31 H new ATOM 164 N MET A 11 -2.233 -10.324 12.904 1.00 60.23 N ATOM 165 CA MET A 11 -2.200 -9.501 11.689 1.00 2.13 C ATOM 166 C MET A 11 -2.119 -8.004 12.069 1.00 52.21 C ATOM 167 O MET A 11 -3.034 -7.215 11.812 1.00 12.21 O ATOM 168 CB MET A 11 -3.465 -9.841 10.836 1.00 63.23 C ATOM 169 CG MET A 11 -3.488 -9.318 9.381 1.00 22.42 C ATOM 170 SD MET A 11 -2.318 -10.156 8.278 1.00 52.12 S ATOM 171 CE MET A 11 -0.834 -9.162 8.437 1.00 44.33 C ATOM 0 H MET A 11 -3.181 -10.568 13.192 1.00 60.23 H new ATOM 0 HA MET A 11 -1.315 -9.716 11.090 1.00 2.13 H new ATOM 0 HB2 MET A 11 -3.575 -10.925 10.809 1.00 63.23 H new ATOM 0 HB3 MET A 11 -4.339 -9.445 11.353 1.00 63.23 H new ATOM 0 HG2 MET A 11 -4.495 -9.433 8.980 1.00 22.42 H new ATOM 0 HG3 MET A 11 -3.266 -8.251 9.386 1.00 22.42 H new ATOM 0 HE1 MET A 11 -0.243 -9.243 7.525 1.00 44.33 H new ATOM 0 HE2 MET A 11 -1.110 -8.120 8.600 1.00 44.33 H new ATOM 0 HE3 MET A 11 -0.246 -9.518 9.283 1.00 44.33 H new ATOM 181 N PHE A 12 -1.013 -7.645 12.735 1.00 55.23 N ATOM 182 CA PHE A 12 -0.737 -6.276 13.180 1.00 25.00 C ATOM 183 C PHE A 12 0.329 -5.670 12.264 1.00 50.12 C ATOM 184 O PHE A 12 1.429 -6.221 12.124 1.00 32.10 O ATOM 185 CB PHE A 12 -0.273 -6.269 14.661 1.00 1.22 C ATOM 186 CG PHE A 12 -1.306 -6.859 15.627 1.00 5.51 C ATOM 187 CD1 PHE A 12 -2.489 -6.172 15.917 1.00 42.12 C ATOM 188 CD2 PHE A 12 -1.104 -8.103 16.233 1.00 2.11 C ATOM 189 CE1 PHE A 12 -3.430 -6.709 16.775 1.00 41.34 C ATOM 190 CE2 PHE A 12 -2.051 -8.636 17.090 1.00 23.54 C ATOM 191 CZ PHE A 12 -3.209 -7.939 17.361 1.00 10.03 C ATOM 0 H PHE A 12 -0.277 -8.307 12.982 1.00 55.23 H new ATOM 0 HA PHE A 12 -1.645 -5.676 13.121 1.00 25.00 H new ATOM 0 HB2 PHE A 12 0.656 -6.833 14.745 1.00 1.22 H new ATOM 0 HB3 PHE A 12 -0.052 -5.244 14.959 1.00 1.22 H new ATOM 0 HD1 PHE A 12 -2.670 -5.208 15.464 1.00 42.12 H new ATOM 0 HD2 PHE A 12 -0.198 -8.655 16.030 1.00 2.11 H new ATOM 0 HE1 PHE A 12 -4.339 -6.166 16.987 1.00 41.34 H new ATOM 0 HE2 PHE A 12 -1.882 -9.600 17.547 1.00 23.54 H new ATOM 0 HZ PHE A 12 -3.945 -8.356 18.033 1.00 10.03 H new ATOM 201 N ILE A 13 -0.024 -4.548 11.632 1.00 24.35 N ATOM 202 CA ILE A 13 0.828 -3.852 10.665 1.00 72.14 C ATOM 203 C ILE A 13 1.660 -2.792 11.401 1.00 35.32 C ATOM 204 O ILE A 13 1.111 -1.986 12.166 1.00 54.13 O ATOM 205 CB ILE A 13 -0.050 -3.177 9.545 1.00 54.24 C ATOM 206 CG1 ILE A 13 -0.964 -4.246 8.862 1.00 3.15 C ATOM 207 CG2 ILE A 13 0.828 -2.437 8.499 1.00 32.21 C ATOM 208 CD1 ILE A 13 -1.956 -3.689 7.859 1.00 42.12 C ATOM 0 H ILE A 13 -0.924 -4.091 11.780 1.00 24.35 H new ATOM 0 HA ILE A 13 1.494 -4.570 10.187 1.00 72.14 H new ATOM 0 HB ILE A 13 -0.685 -2.427 10.016 1.00 54.24 H new ATOM 0 HG12 ILE A 13 -0.331 -4.976 8.358 1.00 3.15 H new ATOM 0 HG13 ILE A 13 -1.514 -4.781 9.636 1.00 3.15 H new ATOM 0 HG21 ILE A 13 0.188 -1.984 7.742 1.00 32.21 H new ATOM 0 HG22 ILE A 13 1.409 -1.660 8.996 1.00 32.21 H new ATOM 0 HG23 ILE A 13 1.505 -3.147 8.024 1.00 32.21 H new ATOM 0 HD11 ILE A 13 -2.545 -4.504 7.438 1.00 42.12 H new ATOM 0 HD12 ILE A 13 -2.619 -2.982 8.357 1.00 42.12 H new ATOM 0 HD13 ILE A 13 -1.418 -3.180 7.059 1.00 42.12 H new ATOM 220 N GLN A 14 2.974 -2.803 11.166 1.00 15.14 N ATOM 221 CA GLN A 14 3.921 -1.839 11.757 1.00 64.40 C ATOM 222 C GLN A 14 4.299 -0.794 10.691 1.00 2.13 C ATOM 223 O GLN A 14 4.431 -1.121 9.506 1.00 14.33 O ATOM 224 CB GLN A 14 5.182 -2.578 12.299 1.00 64.32 C ATOM 225 CG GLN A 14 5.879 -3.494 11.271 1.00 55.35 C ATOM 226 CD GLN A 14 7.098 -4.238 11.819 1.00 53.04 C ATOM 227 OE1 GLN A 14 7.817 -3.732 12.683 1.00 52.04 O ATOM 228 NE2 GLN A 14 7.336 -5.454 11.336 1.00 42.34 N ATOM 0 H GLN A 14 3.421 -3.486 10.554 1.00 15.14 H new ATOM 0 HA GLN A 14 3.454 -1.331 12.601 1.00 64.40 H new ATOM 0 HB2 GLN A 14 5.899 -1.836 12.650 1.00 64.32 H new ATOM 0 HB3 GLN A 14 4.893 -3.177 13.163 1.00 64.32 H new ATOM 0 HG2 GLN A 14 5.157 -4.223 10.903 1.00 55.35 H new ATOM 0 HG3 GLN A 14 6.188 -2.893 10.416 1.00 55.35 H new ATOM 0 HE21 GLN A 14 6.724 -5.848 10.621 1.00 42.34 H new ATOM 0 HE22 GLN A 14 8.131 -5.993 11.680 1.00 42.34 H new ATOM 237 N THR A 15 4.437 0.464 11.113 1.00 24.35 N ATOM 238 CA THR A 15 4.768 1.581 10.222 1.00 20.15 C ATOM 239 C THR A 15 6.259 1.935 10.367 1.00 51.13 C ATOM 240 O THR A 15 6.766 2.075 11.483 1.00 42.01 O ATOM 241 CB THR A 15 3.872 2.817 10.547 1.00 11.24 C ATOM 242 OG1 THR A 15 4.043 3.198 11.921 1.00 2.53 O ATOM 243 CG2 THR A 15 2.382 2.531 10.285 1.00 74.43 C ATOM 0 H THR A 15 4.322 0.740 12.088 1.00 24.35 H new ATOM 0 HA THR A 15 4.577 1.286 9.190 1.00 20.15 H new ATOM 0 HB THR A 15 4.185 3.628 9.889 1.00 11.24 H new ATOM 0 HG1 THR A 15 3.479 3.975 12.118 1.00 2.53 H new ATOM 0 HG21 THR A 15 1.794 3.417 10.524 1.00 74.43 H new ATOM 0 HG22 THR A 15 2.240 2.273 9.235 1.00 74.43 H new ATOM 0 HG23 THR A 15 2.056 1.700 10.910 1.00 74.43 H new ATOM 251 N GLN A 16 6.937 2.063 9.228 1.00 2.14 N ATOM 252 CA GLN A 16 8.368 2.370 9.126 1.00 21.23 C ATOM 253 C GLN A 16 8.523 3.609 8.249 1.00 70.35 C ATOM 254 O GLN A 16 7.980 3.646 7.141 1.00 1.34 O ATOM 255 CB GLN A 16 9.119 1.164 8.493 1.00 11.01 C ATOM 256 CG GLN A 16 10.626 1.381 8.218 1.00 34.31 C ATOM 257 CD GLN A 16 11.439 1.654 9.485 1.00 1.11 C ATOM 258 OE1 GLN A 16 11.617 2.806 9.896 1.00 14.24 O ATOM 259 NE2 GLN A 16 11.929 0.597 10.115 1.00 33.11 N ATOM 0 H GLN A 16 6.492 1.952 8.317 1.00 2.14 H new ATOM 0 HA GLN A 16 8.791 2.557 10.113 1.00 21.23 H new ATOM 0 HB2 GLN A 16 9.009 0.304 9.154 1.00 11.01 H new ATOM 0 HB3 GLN A 16 8.630 0.908 7.553 1.00 11.01 H new ATOM 0 HG2 GLN A 16 11.028 0.499 7.720 1.00 34.31 H new ATOM 0 HG3 GLN A 16 10.746 2.218 7.530 1.00 34.31 H new ATOM 0 HE21 GLN A 16 11.762 -0.339 9.746 1.00 33.11 H new ATOM 0 HE22 GLN A 16 12.473 0.719 10.969 1.00 33.11 H new ATOM 268 N ASP A 17 9.248 4.618 8.741 1.00 32.33 N ATOM 269 CA ASP A 17 9.476 5.864 7.994 1.00 43.14 C ATOM 270 C ASP A 17 10.420 5.629 6.806 1.00 74.13 C ATOM 271 O ASP A 17 11.265 4.730 6.829 1.00 50.13 O ATOM 272 CB ASP A 17 10.040 6.968 8.920 1.00 11.21 C ATOM 273 CG ASP A 17 9.026 7.401 9.988 1.00 1.11 C ATOM 274 OD1 ASP A 17 8.083 8.151 9.657 1.00 51.01 O ATOM 275 OD2 ASP A 17 9.141 6.974 11.157 1.00 24.31 O ATOM 0 H ASP A 17 9.691 4.598 9.660 1.00 32.33 H new ATOM 0 HA ASP A 17 8.514 6.199 7.606 1.00 43.14 H new ATOM 0 HB2 ASP A 17 10.945 6.605 9.407 1.00 11.21 H new ATOM 0 HB3 ASP A 17 10.325 7.832 8.320 1.00 11.21 H new ATOM 280 N THR A 18 10.257 6.463 5.779 1.00 13.21 N ATOM 281 CA THR A 18 11.043 6.415 4.533 1.00 72.41 C ATOM 282 C THR A 18 11.768 7.777 4.364 1.00 35.34 C ATOM 283 O THR A 18 11.387 8.744 5.042 1.00 33.31 O ATOM 284 CB THR A 18 10.108 6.121 3.304 1.00 3.22 C ATOM 285 OG1 THR A 18 9.174 7.188 3.126 1.00 45.50 O ATOM 286 CG2 THR A 18 9.337 4.798 3.455 1.00 34.24 C ATOM 0 H THR A 18 9.561 7.209 5.784 1.00 13.21 H new ATOM 0 HA THR A 18 11.778 5.611 4.583 1.00 72.41 H new ATOM 0 HB THR A 18 10.755 6.036 2.431 1.00 3.22 H new ATOM 0 HG1 THR A 18 8.434 7.084 3.760 1.00 45.50 H new ATOM 0 HG21 THR A 18 8.706 4.643 2.580 1.00 34.24 H new ATOM 0 HG22 THR A 18 10.044 3.973 3.544 1.00 34.24 H new ATOM 0 HG23 THR A 18 8.714 4.840 4.348 1.00 34.24 H new ATOM 294 N PRO A 19 12.827 7.897 3.480 1.00 70.03 N ATOM 295 CA PRO A 19 13.555 9.185 3.233 1.00 2.33 C ATOM 296 C PRO A 19 12.660 10.358 2.753 1.00 54.33 C ATOM 297 O PRO A 19 13.146 11.487 2.634 1.00 23.11 O ATOM 298 CB PRO A 19 14.631 8.807 2.163 1.00 33.43 C ATOM 299 CG PRO A 19 14.160 7.504 1.585 1.00 31.53 C ATOM 300 CD PRO A 19 13.454 6.789 2.709 1.00 5.10 C ATOM 0 HA PRO A 19 13.974 9.571 4.162 1.00 2.33 H new ATOM 0 HB2 PRO A 19 14.710 9.575 1.394 1.00 33.43 H new ATOM 0 HB3 PRO A 19 15.618 8.705 2.614 1.00 33.43 H new ATOM 0 HG2 PRO A 19 13.488 7.670 0.743 1.00 31.53 H new ATOM 0 HG3 PRO A 19 14.998 6.915 1.212 1.00 31.53 H new ATOM 0 HD2 PRO A 19 12.708 6.088 2.334 1.00 5.10 H new ATOM 0 HD3 PRO A 19 14.150 6.216 3.322 1.00 5.10 H new ATOM 308 N ASN A 20 11.371 10.089 2.458 1.00 33.22 N ATOM 309 CA ASN A 20 10.379 11.132 2.126 1.00 1.43 C ATOM 310 C ASN A 20 9.197 11.056 3.120 1.00 54.24 C ATOM 311 O ASN A 20 8.635 9.972 3.303 1.00 4.13 O ATOM 312 CB ASN A 20 9.872 10.954 0.668 1.00 64.43 C ATOM 313 CG ASN A 20 11.009 11.037 -0.360 1.00 31.44 C ATOM 314 OD1 ASN A 20 11.602 10.026 -0.737 1.00 23.42 O ATOM 315 ND2 ASN A 20 11.341 12.239 -0.797 1.00 74.41 N ATOM 0 H ASN A 20 10.989 9.143 2.443 1.00 33.22 H new ATOM 0 HA ASN A 20 10.851 12.111 2.206 1.00 1.43 H new ATOM 0 HB2 ASN A 20 9.371 9.990 0.575 1.00 64.43 H new ATOM 0 HB3 ASN A 20 9.130 11.721 0.448 1.00 64.43 H new ATOM 0 HD21 ASN A 20 12.106 12.346 -1.463 1.00 74.41 H new ATOM 0 HD22 ASN A 20 10.833 13.060 -0.468 1.00 74.41 H new ATOM 322 N PRO A 21 8.793 12.201 3.781 1.00 50.35 N ATOM 323 CA PRO A 21 7.622 12.237 4.717 1.00 44.33 C ATOM 324 C PRO A 21 6.288 11.965 3.994 1.00 70.33 C ATOM 325 O PRO A 21 5.302 11.529 4.609 1.00 63.11 O ATOM 326 CB PRO A 21 7.663 13.680 5.287 1.00 74.25 C ATOM 327 CG PRO A 21 8.385 14.480 4.236 1.00 41.32 C ATOM 328 CD PRO A 21 9.439 13.545 3.678 1.00 51.11 C ATOM 0 HA PRO A 21 7.683 11.466 5.485 1.00 44.33 H new ATOM 0 HB2 PRO A 21 6.659 14.067 5.460 1.00 74.25 H new ATOM 0 HB3 PRO A 21 8.187 13.715 6.242 1.00 74.25 H new ATOM 0 HG2 PRO A 21 7.701 14.813 3.455 1.00 41.32 H new ATOM 0 HG3 PRO A 21 8.839 15.374 4.664 1.00 41.32 H new ATOM 0 HD2 PRO A 21 9.691 13.792 2.647 1.00 51.11 H new ATOM 0 HD3 PRO A 21 10.364 13.592 4.253 1.00 51.11 H new ATOM 336 N ASN A 22 6.287 12.219 2.673 1.00 51.45 N ATOM 337 CA ASN A 22 5.136 11.987 1.792 1.00 20.44 C ATOM 338 C ASN A 22 4.892 10.484 1.564 1.00 1.12 C ATOM 339 O ASN A 22 3.858 10.110 1.035 1.00 43.51 O ATOM 340 CB ASN A 22 5.337 12.717 0.433 1.00 42.12 C ATOM 341 CG ASN A 22 5.347 14.247 0.555 1.00 35.11 C ATOM 342 OD1 ASN A 22 5.776 14.807 1.566 1.00 2.31 O ATOM 343 ND2 ASN A 22 4.882 14.932 -0.475 1.00 30.22 N ATOM 0 H ASN A 22 7.099 12.596 2.184 1.00 51.45 H new ATOM 0 HA ASN A 22 4.253 12.395 2.285 1.00 20.44 H new ATOM 0 HB2 ASN A 22 6.277 12.390 -0.010 1.00 42.12 H new ATOM 0 HB3 ASN A 22 4.542 12.420 -0.251 1.00 42.12 H new ATOM 0 HD21 ASN A 22 4.872 15.952 -0.447 1.00 30.22 H new ATOM 0 HD22 ASN A 22 4.533 14.441 -1.298 1.00 30.22 H new ATOM 350 N SER A 23 5.836 9.635 1.988 1.00 32.00 N ATOM 351 CA SER A 23 5.734 8.178 1.847 1.00 33.51 C ATOM 352 C SER A 23 5.878 7.523 3.233 1.00 31.03 C ATOM 353 O SER A 23 6.591 8.041 4.106 1.00 72.52 O ATOM 354 CB SER A 23 6.810 7.678 0.854 1.00 10.41 C ATOM 355 OG SER A 23 6.618 6.317 0.517 1.00 54.34 O ATOM 0 H SER A 23 6.697 9.942 2.441 1.00 32.00 H new ATOM 0 HA SER A 23 4.760 7.901 1.445 1.00 33.51 H new ATOM 0 HB2 SER A 23 6.780 8.285 -0.051 1.00 10.41 H new ATOM 0 HB3 SER A 23 7.799 7.808 1.293 1.00 10.41 H new ATOM 0 HG SER A 23 6.031 6.253 -0.265 1.00 54.34 H new ATOM 361 N LEU A 24 5.154 6.417 3.443 1.00 61.42 N ATOM 362 CA LEU A 24 5.233 5.614 4.673 1.00 30.41 C ATOM 363 C LEU A 24 5.154 4.126 4.311 1.00 24.44 C ATOM 364 O LEU A 24 4.326 3.720 3.492 1.00 72.20 O ATOM 365 CB LEU A 24 4.104 6.010 5.664 1.00 50.54 C ATOM 366 CG LEU A 24 4.178 5.372 7.090 1.00 70.13 C ATOM 367 CD1 LEU A 24 5.524 5.674 7.767 1.00 73.12 C ATOM 368 CD2 LEU A 24 3.004 5.844 7.969 1.00 34.41 C ATOM 0 H LEU A 24 4.491 6.050 2.760 1.00 61.42 H new ATOM 0 HA LEU A 24 6.184 5.808 5.169 1.00 30.41 H new ATOM 0 HB2 LEU A 24 4.110 7.094 5.774 1.00 50.54 H new ATOM 0 HB3 LEU A 24 3.147 5.740 5.218 1.00 50.54 H new ATOM 0 HG LEU A 24 4.099 4.291 6.972 1.00 70.13 H new ATOM 0 HD11 LEU A 24 5.544 5.217 8.756 1.00 73.12 H new ATOM 0 HD12 LEU A 24 6.335 5.267 7.163 1.00 73.12 H new ATOM 0 HD13 LEU A 24 5.649 6.753 7.863 1.00 73.12 H new ATOM 0 HD21 LEU A 24 3.080 5.385 8.955 1.00 34.41 H new ATOM 0 HD22 LEU A 24 3.038 6.929 8.070 1.00 34.41 H new ATOM 0 HD23 LEU A 24 2.062 5.552 7.505 1.00 34.41 H new ATOM 380 N LYS A 25 6.018 3.331 4.940 1.00 12.13 N ATOM 381 CA LYS A 25 6.214 1.913 4.629 1.00 32.44 C ATOM 382 C LYS A 25 5.467 1.054 5.671 1.00 24.41 C ATOM 383 O LYS A 25 5.870 0.986 6.826 1.00 4.34 O ATOM 384 CB LYS A 25 7.740 1.642 4.633 1.00 54.42 C ATOM 385 CG LYS A 25 8.187 0.237 4.207 1.00 23.03 C ATOM 386 CD LYS A 25 9.732 0.101 4.226 1.00 14.34 C ATOM 387 CE LYS A 25 10.214 -1.269 3.749 1.00 55.51 C ATOM 388 NZ LYS A 25 11.690 -1.388 3.761 1.00 34.25 N ATOM 0 H LYS A 25 6.616 3.661 5.698 1.00 12.13 H new ATOM 0 HA LYS A 25 5.811 1.653 3.650 1.00 32.44 H new ATOM 0 HB2 LYS A 25 8.217 2.367 3.973 1.00 54.42 H new ATOM 0 HB3 LYS A 25 8.117 1.830 5.638 1.00 54.42 H new ATOM 0 HG2 LYS A 25 7.747 -0.504 4.875 1.00 23.03 H new ATOM 0 HG3 LYS A 25 7.814 0.024 3.205 1.00 23.03 H new ATOM 0 HD2 LYS A 25 10.168 0.874 3.593 1.00 14.34 H new ATOM 0 HD3 LYS A 25 10.095 0.276 5.239 1.00 14.34 H new ATOM 0 HE2 LYS A 25 9.785 -2.043 4.386 1.00 55.51 H new ATOM 0 HE3 LYS A 25 9.847 -1.448 2.738 1.00 55.51 H new ATOM 0 HZ1 LYS A 25 11.965 -2.335 3.429 1.00 34.25 H new ATOM 0 HZ2 LYS A 25 12.101 -0.668 3.133 1.00 34.25 H new ATOM 0 HZ3 LYS A 25 12.042 -1.245 4.729 1.00 34.25 H new ATOM 402 N PHE A 26 4.374 0.418 5.250 1.00 54.42 N ATOM 403 CA PHE A 26 3.493 -0.377 6.128 1.00 3.14 C ATOM 404 C PHE A 26 3.860 -1.863 5.986 1.00 64.54 C ATOM 405 O PHE A 26 3.463 -2.496 5.007 1.00 34.41 O ATOM 406 CB PHE A 26 2.000 -0.166 5.729 1.00 73.43 C ATOM 407 CG PHE A 26 1.505 1.276 5.834 1.00 61.12 C ATOM 408 CD1 PHE A 26 1.649 2.174 4.768 1.00 34.32 C ATOM 409 CD2 PHE A 26 0.891 1.733 6.997 1.00 12.04 C ATOM 410 CE1 PHE A 26 1.195 3.477 4.872 1.00 33.44 C ATOM 411 CE2 PHE A 26 0.439 3.034 7.096 1.00 52.12 C ATOM 412 CZ PHE A 26 0.591 3.905 6.036 1.00 42.54 C ATOM 0 H PHE A 26 4.065 0.436 4.278 1.00 54.42 H new ATOM 0 HA PHE A 26 3.626 -0.056 7.161 1.00 3.14 H new ATOM 0 HB2 PHE A 26 1.861 -0.509 4.704 1.00 73.43 H new ATOM 0 HB3 PHE A 26 1.377 -0.796 6.363 1.00 73.43 H new ATOM 0 HD1 PHE A 26 2.120 1.845 3.854 1.00 34.32 H new ATOM 0 HD2 PHE A 26 0.767 1.061 7.833 1.00 12.04 H new ATOM 0 HE1 PHE A 26 1.313 4.158 4.042 1.00 33.44 H new ATOM 0 HE2 PHE A 26 -0.035 3.371 8.006 1.00 52.12 H new ATOM 0 HZ PHE A 26 0.237 4.922 6.118 1.00 42.54 H new ATOM 422 N ILE A 27 4.638 -2.411 6.936 1.00 43.21 N ATOM 423 CA ILE A 27 5.021 -3.838 6.933 1.00 1.35 C ATOM 424 C ILE A 27 3.915 -4.645 7.647 1.00 35.53 C ATOM 425 O ILE A 27 3.744 -4.491 8.859 1.00 11.10 O ATOM 426 CB ILE A 27 6.417 -4.111 7.646 1.00 32.31 C ATOM 427 CG1 ILE A 27 7.601 -3.354 6.952 1.00 21.35 C ATOM 428 CG2 ILE A 27 6.726 -5.630 7.734 1.00 3.10 C ATOM 429 CD1 ILE A 27 7.680 -1.871 7.250 1.00 21.35 C ATOM 0 H ILE A 27 5.018 -1.884 7.723 1.00 43.21 H new ATOM 0 HA ILE A 27 5.133 -4.147 5.894 1.00 1.35 H new ATOM 0 HB ILE A 27 6.323 -3.718 8.658 1.00 32.31 H new ATOM 0 HG12 ILE A 27 8.538 -3.820 7.257 1.00 21.35 H new ATOM 0 HG13 ILE A 27 7.515 -3.488 5.874 1.00 21.35 H new ATOM 0 HG21 ILE A 27 7.687 -5.778 8.227 1.00 3.10 H new ATOM 0 HG22 ILE A 27 5.944 -6.128 8.307 1.00 3.10 H new ATOM 0 HG23 ILE A 27 6.764 -6.052 6.730 1.00 3.10 H new ATOM 0 HD11 ILE A 27 8.531 -1.439 6.724 1.00 21.35 H new ATOM 0 HD12 ILE A 27 6.763 -1.384 6.918 1.00 21.35 H new ATOM 0 HD13 ILE A 27 7.802 -1.721 8.323 1.00 21.35 H new ATOM 441 N PRO A 28 3.115 -5.482 6.915 1.00 30.12 N ATOM 442 CA PRO A 28 2.116 -6.377 7.554 1.00 52.20 C ATOM 443 C PRO A 28 2.782 -7.555 8.300 1.00 3.42 C ATOM 444 O PRO A 28 2.179 -8.152 9.202 1.00 74.42 O ATOM 445 CB PRO A 28 1.269 -6.861 6.354 1.00 71.45 C ATOM 446 CG PRO A 28 2.211 -6.818 5.187 1.00 65.32 C ATOM 447 CD PRO A 28 3.089 -5.608 5.424 1.00 21.51 C ATOM 0 HA PRO A 28 1.526 -5.875 8.321 1.00 52.20 H new ATOM 0 HB2 PRO A 28 0.887 -7.868 6.519 1.00 71.45 H new ATOM 0 HB3 PRO A 28 0.406 -6.215 6.191 1.00 71.45 H new ATOM 0 HG2 PRO A 28 2.806 -7.730 5.128 1.00 65.32 H new ATOM 0 HG3 PRO A 28 1.667 -6.731 4.246 1.00 65.32 H new ATOM 0 HD2 PRO A 28 4.089 -5.752 5.016 1.00 21.51 H new ATOM 0 HD3 PRO A 28 2.678 -4.715 4.953 1.00 21.51 H new ATOM 455 N GLY A 29 4.034 -7.867 7.911 1.00 35.43 N ATOM 456 CA GLY A 29 4.805 -8.961 8.502 1.00 24.14 C ATOM 457 C GLY A 29 4.765 -10.239 7.676 1.00 43.51 C ATOM 458 O GLY A 29 5.408 -11.226 8.044 1.00 43.20 O ATOM 0 H GLY A 29 4.533 -7.363 7.178 1.00 35.43 H new ATOM 0 HA2 GLY A 29 5.841 -8.644 8.619 1.00 24.14 H new ATOM 0 HA3 GLY A 29 4.421 -9.169 9.500 1.00 24.14 H new ATOM 462 N LYS A 30 3.987 -10.231 6.571 1.00 15.34 N ATOM 463 CA LYS A 30 3.866 -11.377 5.650 1.00 32.50 C ATOM 464 C LYS A 30 4.499 -11.035 4.285 1.00 51.10 C ATOM 465 O LYS A 30 4.455 -9.862 3.879 1.00 11.32 O ATOM 466 CB LYS A 30 2.374 -11.761 5.442 1.00 34.34 C ATOM 467 CG LYS A 30 1.646 -12.226 6.719 1.00 5.32 C ATOM 468 CD LYS A 30 0.274 -12.864 6.399 1.00 52.44 C ATOM 469 CE LYS A 30 -0.486 -13.324 7.647 1.00 73.22 C ATOM 470 NZ LYS A 30 -1.733 -14.051 7.293 1.00 73.50 N ATOM 0 H LYS A 30 3.425 -9.426 6.294 1.00 15.34 H new ATOM 0 HA LYS A 30 4.392 -12.222 6.093 1.00 32.50 H new ATOM 0 HB2 LYS A 30 1.845 -10.901 5.031 1.00 34.34 H new ATOM 0 HB3 LYS A 30 2.317 -12.555 4.698 1.00 34.34 H new ATOM 0 HG2 LYS A 30 2.267 -12.948 7.249 1.00 5.32 H new ATOM 0 HG3 LYS A 30 1.505 -11.376 7.387 1.00 5.32 H new ATOM 0 HD2 LYS A 30 -0.336 -12.143 5.856 1.00 52.44 H new ATOM 0 HD3 LYS A 30 0.423 -13.718 5.738 1.00 52.44 H new ATOM 0 HE2 LYS A 30 0.155 -13.971 8.246 1.00 73.22 H new ATOM 0 HE3 LYS A 30 -0.731 -12.459 8.263 1.00 73.22 H new ATOM 0 HZ1 LYS A 30 -2.114 -14.520 8.140 1.00 73.50 H new ATOM 0 HZ2 LYS A 30 -2.435 -13.378 6.925 1.00 73.50 H new ATOM 0 HZ3 LYS A 30 -1.524 -14.765 6.566 1.00 73.50 H new ATOM 484 N PRO A 31 5.091 -12.052 3.557 1.00 15.40 N ATOM 485 CA PRO A 31 5.632 -11.859 2.191 1.00 21.22 C ATOM 486 C PRO A 31 4.549 -11.406 1.199 1.00 45.55 C ATOM 487 O PRO A 31 3.799 -12.226 0.653 1.00 72.11 O ATOM 488 CB PRO A 31 6.229 -13.249 1.818 1.00 30.14 C ATOM 489 CG PRO A 31 6.446 -13.933 3.138 1.00 23.33 C ATOM 490 CD PRO A 31 5.315 -13.452 4.022 1.00 11.40 C ATOM 0 HA PRO A 31 6.380 -11.067 2.151 1.00 21.22 H new ATOM 0 HB2 PRO A 31 5.547 -13.816 1.184 1.00 30.14 H new ATOM 0 HB3 PRO A 31 7.164 -13.144 1.267 1.00 30.14 H new ATOM 0 HG2 PRO A 31 6.427 -15.017 3.028 1.00 23.33 H new ATOM 0 HG3 PRO A 31 7.416 -13.673 3.562 1.00 23.33 H new ATOM 0 HD2 PRO A 31 4.421 -14.064 3.901 1.00 11.40 H new ATOM 0 HD3 PRO A 31 5.586 -13.487 5.077 1.00 11.40 H new ATOM 498 N VAL A 32 4.444 -10.085 1.023 1.00 75.22 N ATOM 499 CA VAL A 32 3.539 -9.478 0.034 1.00 44.02 C ATOM 500 C VAL A 32 4.223 -9.541 -1.321 1.00 61.12 C ATOM 501 O VAL A 32 3.614 -9.855 -2.345 1.00 14.11 O ATOM 502 CB VAL A 32 3.140 -8.008 0.407 1.00 30.22 C ATOM 503 CG1 VAL A 32 2.335 -7.996 1.714 1.00 51.42 C ATOM 504 CG2 VAL A 32 4.346 -7.051 0.518 1.00 25.53 C ATOM 0 H VAL A 32 4.982 -9.405 1.560 1.00 75.22 H new ATOM 0 HA VAL A 32 2.603 -10.036 0.013 1.00 44.02 H new ATOM 0 HB VAL A 32 2.527 -7.637 -0.415 1.00 30.22 H new ATOM 0 HG11 VAL A 32 2.063 -6.971 1.964 1.00 51.42 H new ATOM 0 HG12 VAL A 32 1.431 -8.592 1.590 1.00 51.42 H new ATOM 0 HG13 VAL A 32 2.939 -8.417 2.517 1.00 51.42 H new ATOM 0 HG21 VAL A 32 3.995 -6.052 0.779 1.00 25.53 H new ATOM 0 HG22 VAL A 32 5.025 -7.410 1.291 1.00 25.53 H new ATOM 0 HG23 VAL A 32 4.870 -7.014 -0.437 1.00 25.53 H new ATOM 514 N LEU A 33 5.508 -9.232 -1.281 1.00 4.45 N ATOM 515 CA LEU A 33 6.474 -9.600 -2.270 1.00 73.22 C ATOM 516 C LEU A 33 7.639 -10.203 -1.500 1.00 22.11 C ATOM 517 O LEU A 33 8.032 -9.712 -0.448 1.00 0.21 O ATOM 518 CB LEU A 33 6.927 -8.394 -3.116 1.00 32.10 C ATOM 519 CG LEU A 33 5.850 -7.780 -4.062 1.00 24.05 C ATOM 520 CD1 LEU A 33 6.443 -6.638 -4.869 1.00 5.02 C ATOM 521 CD2 LEU A 33 5.215 -8.836 -4.998 1.00 54.13 C ATOM 0 H LEU A 33 5.913 -8.692 -0.516 1.00 4.45 H new ATOM 0 HA LEU A 33 6.051 -10.307 -2.983 1.00 73.22 H new ATOM 0 HB2 LEU A 33 7.277 -7.613 -2.441 1.00 32.10 H new ATOM 0 HB3 LEU A 33 7.781 -8.700 -3.720 1.00 32.10 H new ATOM 0 HG LEU A 33 5.050 -7.393 -3.430 1.00 24.05 H new ATOM 0 HD11 LEU A 33 5.679 -6.220 -5.524 1.00 5.02 H new ATOM 0 HD12 LEU A 33 6.804 -5.863 -4.192 1.00 5.02 H new ATOM 0 HD13 LEU A 33 7.273 -7.010 -5.470 1.00 5.02 H new ATOM 0 HD21 LEU A 33 4.472 -8.357 -5.636 1.00 54.13 H new ATOM 0 HD22 LEU A 33 5.990 -9.285 -5.618 1.00 54.13 H new ATOM 0 HD23 LEU A 33 4.735 -9.610 -4.400 1.00 54.13 H new ATOM 533 N GLU A 34 8.076 -11.321 -1.970 1.00 61.30 N ATOM 534 CA GLU A 34 9.281 -12.007 -1.491 1.00 32.34 C ATOM 535 C GLU A 34 10.319 -12.095 -2.616 1.00 52.04 C ATOM 536 O GLU A 34 11.531 -12.042 -2.371 1.00 41.14 O ATOM 537 CB GLU A 34 8.895 -13.421 -0.984 1.00 73.35 C ATOM 538 CG GLU A 34 10.070 -14.278 -0.459 1.00 63.44 C ATOM 539 CD GLU A 34 10.854 -13.610 0.686 1.00 10.24 C ATOM 540 OE1 GLU A 34 10.300 -13.473 1.797 1.00 24.21 O ATOM 541 OE2 GLU A 34 12.033 -13.235 0.491 1.00 15.21 O ATOM 0 H GLU A 34 7.605 -11.820 -2.725 1.00 61.30 H new ATOM 0 HA GLU A 34 9.722 -11.444 -0.668 1.00 32.34 H new ATOM 0 HB2 GLU A 34 8.160 -13.315 -0.187 1.00 73.35 H new ATOM 0 HB3 GLU A 34 8.408 -13.960 -1.797 1.00 73.35 H new ATOM 0 HG2 GLU A 34 9.684 -15.237 -0.113 1.00 63.44 H new ATOM 0 HG3 GLU A 34 10.753 -14.488 -1.282 1.00 63.44 H new ATOM 548 N THR A 35 9.828 -12.227 -3.858 1.00 12.12 N ATOM 549 CA THR A 35 10.675 -12.505 -5.028 1.00 60.03 C ATOM 550 C THR A 35 11.082 -11.220 -5.780 1.00 31.44 C ATOM 551 O THR A 35 11.978 -11.276 -6.624 1.00 63.13 O ATOM 552 CB THR A 35 9.939 -13.481 -6.009 1.00 60.53 C ATOM 553 OG1 THR A 35 8.707 -12.887 -6.456 1.00 5.30 O ATOM 554 CG2 THR A 35 9.632 -14.842 -5.351 1.00 74.02 C ATOM 0 H THR A 35 8.836 -12.144 -4.079 1.00 12.12 H new ATOM 0 HA THR A 35 11.588 -12.971 -4.657 1.00 60.03 H new ATOM 0 HB THR A 35 10.606 -13.655 -6.853 1.00 60.53 H new ATOM 0 HG1 THR A 35 8.252 -13.500 -7.070 1.00 5.30 H new ATOM 0 HG21 THR A 35 9.122 -15.486 -6.068 1.00 74.02 H new ATOM 0 HG22 THR A 35 10.564 -15.314 -5.039 1.00 74.02 H new ATOM 0 HG23 THR A 35 8.993 -14.690 -4.481 1.00 74.02 H new ATOM 562 N ARG A 36 10.439 -10.061 -5.474 1.00 1.31 N ATOM 563 CA ARG A 36 10.605 -8.833 -6.296 1.00 23.31 C ATOM 564 C ARG A 36 10.134 -7.550 -5.570 1.00 3.40 C ATOM 565 O ARG A 36 9.806 -7.571 -4.382 1.00 30.10 O ATOM 566 CB ARG A 36 9.800 -8.993 -7.616 1.00 71.04 C ATOM 567 CG ARG A 36 8.272 -9.158 -7.416 1.00 62.12 C ATOM 568 CD ARG A 36 7.490 -9.093 -8.731 1.00 61.00 C ATOM 569 NE ARG A 36 7.841 -10.171 -9.663 1.00 52.22 N ATOM 570 CZ ARG A 36 7.560 -10.174 -10.970 1.00 43.13 C ATOM 571 NH1 ARG A 36 6.931 -9.144 -11.539 1.00 60.34 N ATOM 572 NH2 ARG A 36 7.869 -11.237 -11.698 1.00 4.11 N ATOM 0 H ARG A 36 9.811 -9.952 -4.678 1.00 1.31 H new ATOM 0 HA ARG A 36 11.671 -8.719 -6.493 1.00 23.31 H new ATOM 0 HB2 ARG A 36 9.980 -8.121 -8.245 1.00 71.04 H new ATOM 0 HB3 ARG A 36 10.180 -9.860 -8.156 1.00 71.04 H new ATOM 0 HG2 ARG A 36 8.075 -10.113 -6.929 1.00 62.12 H new ATOM 0 HG3 ARG A 36 7.912 -8.378 -6.746 1.00 62.12 H new ATOM 0 HD2 ARG A 36 6.423 -9.141 -8.515 1.00 61.00 H new ATOM 0 HD3 ARG A 36 7.676 -8.132 -9.210 1.00 61.00 H new ATOM 0 HE ARG A 36 8.337 -10.979 -9.285 1.00 52.22 H new ATOM 0 HH11 ARG A 36 6.657 -8.339 -10.975 1.00 60.34 H new ATOM 0 HH12 ARG A 36 6.724 -9.162 -12.538 1.00 60.34 H new ATOM 0 HH21 ARG A 36 8.317 -12.042 -11.260 1.00 4.11 H new ATOM 0 HH22 ARG A 36 7.659 -11.250 -12.696 1.00 4.11 H new ATOM 586 N THR A 37 10.137 -6.433 -6.336 1.00 32.53 N ATOM 587 CA THR A 37 9.468 -5.164 -5.983 1.00 10.25 C ATOM 588 C THR A 37 8.538 -4.751 -7.155 1.00 73.00 C ATOM 589 O THR A 37 8.887 -4.953 -8.319 1.00 55.02 O ATOM 590 CB THR A 37 10.500 -4.027 -5.683 1.00 10.13 C ATOM 591 OG1 THR A 37 11.449 -3.929 -6.756 1.00 12.00 O ATOM 592 CG2 THR A 37 11.251 -4.257 -4.359 1.00 55.13 C ATOM 0 H THR A 37 10.616 -6.391 -7.236 1.00 32.53 H new ATOM 0 HA THR A 37 8.886 -5.316 -5.074 1.00 10.25 H new ATOM 0 HB THR A 37 9.937 -3.098 -5.592 1.00 10.13 H new ATOM 0 HG1 THR A 37 12.090 -3.214 -6.561 1.00 12.00 H new ATOM 0 HG21 THR A 37 11.956 -3.442 -4.194 1.00 55.13 H new ATOM 0 HG22 THR A 37 10.537 -4.291 -3.537 1.00 55.13 H new ATOM 0 HG23 THR A 37 11.793 -5.201 -4.408 1.00 55.13 H new ATOM 600 N MET A 38 7.351 -4.187 -6.843 1.00 63.04 N ATOM 601 CA MET A 38 6.330 -3.806 -7.853 1.00 30.22 C ATOM 602 C MET A 38 5.907 -2.352 -7.614 1.00 35.23 C ATOM 603 O MET A 38 5.160 -2.068 -6.678 1.00 33.14 O ATOM 604 CB MET A 38 5.074 -4.736 -7.799 1.00 1.55 C ATOM 605 CG MET A 38 5.314 -6.187 -8.251 1.00 61.25 C ATOM 606 SD MET A 38 5.711 -6.347 -10.010 1.00 71.30 S ATOM 607 CE MET A 38 4.138 -5.962 -10.784 1.00 5.11 C ATOM 0 H MET A 38 7.070 -3.981 -5.884 1.00 63.04 H new ATOM 0 HA MET A 38 6.775 -3.917 -8.842 1.00 30.22 H new ATOM 0 HB2 MET A 38 4.695 -4.749 -6.777 1.00 1.55 H new ATOM 0 HB3 MET A 38 4.293 -4.302 -8.424 1.00 1.55 H new ATOM 0 HG2 MET A 38 6.129 -6.611 -7.664 1.00 61.25 H new ATOM 0 HG3 MET A 38 4.424 -6.778 -8.034 1.00 61.25 H new ATOM 0 HE1 MET A 38 4.024 -6.556 -11.691 1.00 5.11 H new ATOM 0 HE2 MET A 38 3.327 -6.194 -10.094 1.00 5.11 H new ATOM 0 HE3 MET A 38 4.107 -4.902 -11.038 1.00 5.11 H new ATOM 617 N ASP A 39 6.415 -1.439 -8.447 1.00 2.32 N ATOM 618 CA ASP A 39 6.082 -0.011 -8.381 1.00 33.23 C ATOM 619 C ASP A 39 4.836 0.298 -9.229 1.00 74.25 C ATOM 620 O ASP A 39 4.731 -0.138 -10.378 1.00 25.13 O ATOM 621 CB ASP A 39 7.283 0.830 -8.878 1.00 55.44 C ATOM 622 CG ASP A 39 7.005 2.345 -8.874 1.00 74.25 C ATOM 623 OD1 ASP A 39 6.761 2.905 -7.785 1.00 34.33 O ATOM 624 OD2 ASP A 39 7.043 2.982 -9.951 1.00 50.33 O ATOM 0 H ASP A 39 7.073 -1.670 -9.191 1.00 2.32 H new ATOM 0 HA ASP A 39 5.864 0.248 -7.345 1.00 33.23 H new ATOM 0 HB2 ASP A 39 8.148 0.624 -8.248 1.00 55.44 H new ATOM 0 HB3 ASP A 39 7.544 0.517 -9.889 1.00 55.44 H new ATOM 629 N PHE A 40 3.911 1.063 -8.642 1.00 62.03 N ATOM 630 CA PHE A 40 2.687 1.546 -9.310 1.00 42.14 C ATOM 631 C PHE A 40 2.548 3.060 -9.031 1.00 13.22 C ATOM 632 O PHE A 40 1.953 3.445 -8.020 1.00 61.34 O ATOM 633 CB PHE A 40 1.430 0.772 -8.804 1.00 42.33 C ATOM 634 CG PHE A 40 1.493 -0.746 -9.005 1.00 10.50 C ATOM 635 CD1 PHE A 40 1.429 -1.299 -10.284 1.00 2.31 C ATOM 636 CD2 PHE A 40 1.621 -1.619 -7.922 1.00 34.11 C ATOM 637 CE1 PHE A 40 1.493 -2.666 -10.477 1.00 21.12 C ATOM 638 CE2 PHE A 40 1.686 -2.987 -8.119 1.00 34.54 C ATOM 639 CZ PHE A 40 1.616 -3.510 -9.393 1.00 55.11 C ATOM 0 H PHE A 40 3.988 1.372 -7.673 1.00 62.03 H new ATOM 0 HA PHE A 40 2.761 1.371 -10.383 1.00 42.14 H new ATOM 0 HB2 PHE A 40 1.294 0.980 -7.743 1.00 42.33 H new ATOM 0 HB3 PHE A 40 0.550 1.158 -9.319 1.00 42.33 H new ATOM 0 HD1 PHE A 40 1.328 -0.647 -11.139 1.00 2.31 H new ATOM 0 HD2 PHE A 40 1.670 -1.221 -6.919 1.00 34.11 H new ATOM 0 HE1 PHE A 40 1.447 -3.073 -11.476 1.00 21.12 H new ATOM 0 HE2 PHE A 40 1.792 -3.648 -7.271 1.00 34.54 H new ATOM 0 HZ PHE A 40 1.657 -4.579 -9.542 1.00 55.11 H new ATOM 649 N PRO A 41 3.143 3.946 -9.891 1.00 25.21 N ATOM 650 CA PRO A 41 3.079 5.415 -9.679 1.00 11.21 C ATOM 651 C PRO A 41 1.693 6.002 -10.029 1.00 13.33 C ATOM 652 O PRO A 41 1.300 7.046 -9.499 1.00 64.24 O ATOM 653 CB PRO A 41 4.191 5.945 -10.619 1.00 44.12 C ATOM 654 CG PRO A 41 4.256 4.942 -11.738 1.00 62.20 C ATOM 655 CD PRO A 41 3.929 3.594 -11.111 1.00 13.25 C ATOM 0 HA PRO A 41 3.224 5.700 -8.637 1.00 11.21 H new ATOM 0 HB2 PRO A 41 3.952 6.941 -10.993 1.00 44.12 H new ATOM 0 HB3 PRO A 41 5.146 6.021 -10.099 1.00 44.12 H new ATOM 0 HG2 PRO A 41 3.544 5.189 -12.526 1.00 62.20 H new ATOM 0 HG3 PRO A 41 5.246 4.930 -12.195 1.00 62.20 H new ATOM 0 HD2 PRO A 41 3.352 2.967 -11.791 1.00 13.25 H new ATOM 0 HD3 PRO A 41 4.834 3.041 -10.858 1.00 13.25 H new ATOM 663 N THR A 42 0.962 5.312 -10.921 1.00 22.23 N ATOM 664 CA THR A 42 -0.359 5.732 -11.402 1.00 74.45 C ATOM 665 C THR A 42 -1.396 4.620 -11.126 1.00 64.24 C ATOM 666 O THR A 42 -1.033 3.430 -11.113 1.00 12.30 O ATOM 667 CB THR A 42 -0.315 6.039 -12.943 1.00 31.13 C ATOM 668 OG1 THR A 42 0.197 4.894 -13.658 1.00 31.04 O ATOM 669 CG2 THR A 42 0.551 7.273 -13.265 1.00 21.33 C ATOM 0 H THR A 42 1.280 4.434 -11.332 1.00 22.23 H new ATOM 0 HA THR A 42 -0.647 6.640 -10.871 1.00 74.45 H new ATOM 0 HB THR A 42 -1.335 6.255 -13.260 1.00 31.13 H new ATOM 0 HG1 THR A 42 0.220 5.091 -14.618 1.00 31.04 H new ATOM 0 HG21 THR A 42 0.552 7.446 -14.341 1.00 21.33 H new ATOM 0 HG22 THR A 42 0.143 8.147 -12.757 1.00 21.33 H new ATOM 0 HG23 THR A 42 1.572 7.100 -12.925 1.00 21.33 H new ATOM 677 N PRO A 43 -2.700 4.986 -10.879 1.00 63.52 N ATOM 678 CA PRO A 43 -3.818 4.004 -10.820 1.00 1.32 C ATOM 679 C PRO A 43 -3.915 3.134 -12.095 1.00 14.13 C ATOM 680 O PRO A 43 -4.312 1.965 -12.028 1.00 55.14 O ATOM 681 CB PRO A 43 -5.076 4.895 -10.648 1.00 30.11 C ATOM 682 CG PRO A 43 -4.566 6.163 -10.025 1.00 62.53 C ATOM 683 CD PRO A 43 -3.172 6.372 -10.586 1.00 62.53 C ATOM 0 HA PRO A 43 -3.686 3.284 -10.012 1.00 1.32 H new ATOM 0 HB2 PRO A 43 -5.556 5.091 -11.607 1.00 30.11 H new ATOM 0 HB3 PRO A 43 -5.818 4.413 -10.012 1.00 30.11 H new ATOM 0 HG2 PRO A 43 -5.214 7.005 -10.267 1.00 62.53 H new ATOM 0 HG3 PRO A 43 -4.541 6.082 -8.938 1.00 62.53 H new ATOM 0 HD2 PRO A 43 -3.190 6.988 -11.485 1.00 62.53 H new ATOM 0 HD3 PRO A 43 -2.522 6.874 -9.869 1.00 62.53 H new ATOM 691 N ALA A 44 -3.524 3.735 -13.243 1.00 53.21 N ATOM 692 CA ALA A 44 -3.521 3.075 -14.562 1.00 64.53 C ATOM 693 C ALA A 44 -2.564 1.867 -14.607 1.00 5.34 C ATOM 694 O ALA A 44 -2.832 0.895 -15.311 1.00 73.43 O ATOM 695 CB ALA A 44 -3.150 4.085 -15.657 1.00 50.14 C ATOM 0 H ALA A 44 -3.199 4.701 -13.276 1.00 53.21 H new ATOM 0 HA ALA A 44 -4.528 2.698 -14.740 1.00 64.53 H new ATOM 0 HB1 ALA A 44 -3.151 3.587 -16.627 1.00 50.14 H new ATOM 0 HB2 ALA A 44 -3.878 4.896 -15.665 1.00 50.14 H new ATOM 0 HB3 ALA A 44 -2.158 4.490 -15.458 1.00 50.14 H new ATOM 701 N ALA A 45 -1.452 1.946 -13.849 1.00 14.02 N ATOM 702 CA ALA A 45 -0.431 0.878 -13.788 1.00 4.32 C ATOM 703 C ALA A 45 -0.857 -0.257 -12.833 1.00 32.44 C ATOM 704 O ALA A 45 -0.412 -1.404 -12.981 1.00 11.54 O ATOM 705 CB ALA A 45 0.918 1.482 -13.347 1.00 30.00 C ATOM 0 H ALA A 45 -1.235 2.751 -13.262 1.00 14.02 H new ATOM 0 HA ALA A 45 -0.325 0.443 -14.782 1.00 4.32 H new ATOM 0 HB1 ALA A 45 1.671 0.696 -13.302 1.00 30.00 H new ATOM 0 HB2 ALA A 45 1.229 2.241 -14.065 1.00 30.00 H new ATOM 0 HB3 ALA A 45 0.809 1.937 -12.362 1.00 30.00 H new ATOM 711 N ALA A 46 -1.757 0.070 -11.881 1.00 14.42 N ATOM 712 CA ALA A 46 -2.169 -0.839 -10.786 1.00 34.32 C ATOM 713 C ALA A 46 -3.109 -1.976 -11.232 1.00 3.12 C ATOM 714 O ALA A 46 -3.492 -2.806 -10.402 1.00 31.51 O ATOM 715 CB ALA A 46 -2.828 -0.025 -9.668 1.00 1.20 C ATOM 0 H ALA A 46 -2.222 0.977 -11.849 1.00 14.42 H new ATOM 0 HA ALA A 46 -1.260 -1.324 -10.430 1.00 34.32 H new ATOM 0 HB1 ALA A 46 -3.131 -0.693 -8.862 1.00 1.20 H new ATOM 0 HB2 ALA A 46 -2.118 0.708 -9.284 1.00 1.20 H new ATOM 0 HB3 ALA A 46 -3.704 0.490 -10.061 1.00 1.20 H new ATOM 721 N PHE A 47 -3.456 -2.016 -12.534 1.00 55.34 N ATOM 722 CA PHE A 47 -4.409 -2.999 -13.104 1.00 63.45 C ATOM 723 C PHE A 47 -3.954 -4.474 -12.939 1.00 60.34 C ATOM 724 O PHE A 47 -4.763 -5.391 -13.092 1.00 15.32 O ATOM 725 CB PHE A 47 -4.680 -2.676 -14.604 1.00 62.41 C ATOM 726 CG PHE A 47 -3.502 -2.928 -15.562 1.00 62.23 C ATOM 727 CD1 PHE A 47 -2.388 -2.091 -15.567 1.00 62.53 C ATOM 728 CD2 PHE A 47 -3.518 -3.988 -16.469 1.00 11.14 C ATOM 729 CE1 PHE A 47 -1.333 -2.301 -16.433 1.00 62.22 C ATOM 730 CE2 PHE A 47 -2.463 -4.200 -17.334 1.00 4.45 C ATOM 731 CZ PHE A 47 -1.371 -3.356 -17.318 1.00 65.41 C ATOM 0 H PHE A 47 -3.083 -1.366 -13.226 1.00 55.34 H new ATOM 0 HA PHE A 47 -5.332 -2.902 -12.532 1.00 63.45 H new ATOM 0 HB2 PHE A 47 -5.530 -3.271 -14.937 1.00 62.41 H new ATOM 0 HB3 PHE A 47 -4.973 -1.629 -14.685 1.00 62.41 H new ATOM 0 HD1 PHE A 47 -2.349 -1.260 -14.879 1.00 62.53 H new ATOM 0 HD2 PHE A 47 -4.369 -4.653 -16.495 1.00 11.14 H new ATOM 0 HE1 PHE A 47 -0.480 -1.639 -16.416 1.00 62.22 H new ATOM 0 HE2 PHE A 47 -2.492 -5.029 -18.026 1.00 4.45 H new ATOM 0 HZ PHE A 47 -0.548 -3.522 -17.998 1.00 65.41 H new ATOM 741 N ARG A 48 -2.661 -4.698 -12.636 1.00 23.31 N ATOM 742 CA ARG A 48 -2.103 -6.057 -12.482 1.00 1.11 C ATOM 743 C ARG A 48 -2.153 -6.554 -11.024 1.00 45.31 C ATOM 744 O ARG A 48 -1.744 -7.682 -10.760 1.00 54.31 O ATOM 745 CB ARG A 48 -0.646 -6.098 -13.016 1.00 74.14 C ATOM 746 CG ARG A 48 -0.494 -5.584 -14.466 1.00 20.43 C ATOM 747 CD ARG A 48 0.893 -5.871 -15.065 1.00 30.31 C ATOM 748 NE ARG A 48 1.099 -7.314 -15.309 1.00 64.52 N ATOM 749 CZ ARG A 48 2.154 -8.040 -14.902 1.00 4.20 C ATOM 750 NH1 ARG A 48 3.154 -7.486 -14.215 1.00 72.33 N ATOM 751 NH2 ARG A 48 2.188 -9.336 -15.183 1.00 21.25 N ATOM 0 H ARG A 48 -1.980 -3.952 -12.492 1.00 23.31 H new ATOM 0 HA ARG A 48 -2.727 -6.731 -13.069 1.00 1.11 H new ATOM 0 HB2 ARG A 48 -0.013 -5.500 -12.361 1.00 74.14 H new ATOM 0 HB3 ARG A 48 -0.280 -7.123 -12.964 1.00 74.14 H new ATOM 0 HG2 ARG A 48 -1.257 -6.048 -15.092 1.00 20.43 H new ATOM 0 HG3 ARG A 48 -0.676 -4.510 -14.485 1.00 20.43 H new ATOM 0 HD2 ARG A 48 1.004 -5.325 -16.002 1.00 30.31 H new ATOM 0 HD3 ARG A 48 1.664 -5.503 -14.388 1.00 30.31 H new ATOM 0 HE ARG A 48 0.374 -7.803 -15.834 1.00 64.52 H new ATOM 0 HH11 ARG A 48 3.128 -6.492 -13.988 1.00 72.33 H new ATOM 0 HH12 ARG A 48 3.945 -8.057 -13.916 1.00 72.33 H new ATOM 0 HH21 ARG A 48 1.421 -9.766 -15.700 1.00 21.25 H new ATOM 0 HH22 ARG A 48 2.981 -9.902 -14.882 1.00 21.25 H new ATOM 765 N SER A 49 -2.668 -5.723 -10.092 1.00 62.24 N ATOM 766 CA SER A 49 -2.721 -6.042 -8.648 1.00 21.42 C ATOM 767 C SER A 49 -4.067 -5.568 -8.049 1.00 22.32 C ATOM 768 O SER A 49 -4.421 -4.391 -8.206 1.00 72.23 O ATOM 769 CB SER A 49 -1.533 -5.364 -7.918 1.00 5.13 C ATOM 770 OG SER A 49 -1.618 -5.517 -6.506 1.00 62.01 O ATOM 0 H SER A 49 -3.060 -4.809 -10.320 1.00 62.24 H new ATOM 0 HA SER A 49 -2.645 -7.121 -8.515 1.00 21.42 H new ATOM 0 HB2 SER A 49 -0.596 -5.793 -8.273 1.00 5.13 H new ATOM 0 HB3 SER A 49 -1.512 -4.303 -8.167 1.00 5.13 H new ATOM 0 HG SER A 49 -1.672 -6.470 -6.283 1.00 62.01 H new ATOM 776 N PRO A 50 -4.834 -6.463 -7.329 1.00 51.12 N ATOM 777 CA PRO A 50 -6.134 -6.091 -6.734 1.00 0.44 C ATOM 778 C PRO A 50 -5.940 -5.167 -5.522 1.00 32.22 C ATOM 779 O PRO A 50 -6.693 -4.208 -5.340 1.00 13.34 O ATOM 780 CB PRO A 50 -6.777 -7.453 -6.321 1.00 33.40 C ATOM 781 CG PRO A 50 -5.857 -8.523 -6.863 1.00 22.13 C ATOM 782 CD PRO A 50 -4.497 -7.876 -7.010 1.00 62.44 C ATOM 0 HA PRO A 50 -6.767 -5.535 -7.426 1.00 0.44 H new ATOM 0 HB2 PRO A 50 -6.870 -7.529 -5.238 1.00 33.40 H new ATOM 0 HB3 PRO A 50 -7.780 -7.553 -6.735 1.00 33.40 H new ATOM 0 HG2 PRO A 50 -5.811 -9.376 -6.186 1.00 22.13 H new ATOM 0 HG3 PRO A 50 -6.216 -8.896 -7.822 1.00 22.13 H new ATOM 0 HD2 PRO A 50 -3.911 -7.955 -6.094 1.00 62.44 H new ATOM 0 HD3 PRO A 50 -3.912 -8.341 -7.804 1.00 62.44 H new ATOM 790 N LEU A 51 -4.885 -5.452 -4.724 1.00 24.11 N ATOM 791 CA LEU A 51 -4.588 -4.711 -3.498 1.00 23.24 C ATOM 792 C LEU A 51 -4.143 -3.283 -3.837 1.00 71.54 C ATOM 793 O LEU A 51 -4.574 -2.341 -3.178 1.00 13.33 O ATOM 794 CB LEU A 51 -3.503 -5.425 -2.653 1.00 22.32 C ATOM 795 CG LEU A 51 -3.203 -4.774 -1.256 1.00 72.35 C ATOM 796 CD1 LEU A 51 -4.449 -4.766 -0.356 1.00 1.30 C ATOM 797 CD2 LEU A 51 -2.028 -5.463 -0.555 1.00 42.14 C ATOM 0 H LEU A 51 -4.223 -6.203 -4.920 1.00 24.11 H new ATOM 0 HA LEU A 51 -5.500 -4.669 -2.903 1.00 23.24 H new ATOM 0 HB2 LEU A 51 -3.811 -6.459 -2.495 1.00 22.32 H new ATOM 0 HB3 LEU A 51 -2.578 -5.453 -3.229 1.00 22.32 H new ATOM 0 HG LEU A 51 -2.920 -3.738 -1.441 1.00 72.35 H new ATOM 0 HD11 LEU A 51 -4.203 -4.308 0.602 1.00 1.30 H new ATOM 0 HD12 LEU A 51 -5.242 -4.195 -0.838 1.00 1.30 H new ATOM 0 HD13 LEU A 51 -4.787 -5.789 -0.193 1.00 1.30 H new ATOM 0 HD21 LEU A 51 -1.849 -4.986 0.409 1.00 42.14 H new ATOM 0 HD22 LEU A 51 -2.263 -6.516 -0.401 1.00 42.14 H new ATOM 0 HD23 LEU A 51 -1.135 -5.378 -1.174 1.00 42.14 H new ATOM 809 N ALA A 52 -3.301 -3.142 -4.893 1.00 1.54 N ATOM 810 CA ALA A 52 -2.822 -1.825 -5.367 1.00 55.01 C ATOM 811 C ALA A 52 -4.003 -0.931 -5.761 1.00 41.41 C ATOM 812 O ALA A 52 -4.065 0.229 -5.356 1.00 63.24 O ATOM 813 CB ALA A 52 -1.864 -1.990 -6.547 1.00 62.00 C ATOM 0 H ALA A 52 -2.941 -3.930 -5.432 1.00 1.54 H new ATOM 0 HA ALA A 52 -2.282 -1.346 -4.550 1.00 55.01 H new ATOM 0 HB1 ALA A 52 -1.524 -1.009 -6.880 1.00 62.00 H new ATOM 0 HB2 ALA A 52 -1.005 -2.586 -6.238 1.00 62.00 H new ATOM 0 HB3 ALA A 52 -2.379 -2.493 -7.366 1.00 62.00 H new ATOM 819 N ARG A 53 -4.945 -1.519 -6.530 1.00 3.43 N ATOM 820 CA ARG A 53 -6.206 -0.864 -6.933 1.00 31.12 C ATOM 821 C ARG A 53 -7.005 -0.380 -5.700 1.00 51.11 C ATOM 822 O ARG A 53 -7.473 0.761 -5.664 1.00 54.30 O ATOM 823 CB ARG A 53 -7.064 -1.843 -7.786 1.00 34.04 C ATOM 824 CG ARG A 53 -6.553 -2.070 -9.229 1.00 5.10 C ATOM 825 CD ARG A 53 -7.331 -3.179 -9.973 1.00 2.23 C ATOM 826 NE ARG A 53 -8.796 -2.991 -9.911 1.00 73.02 N ATOM 827 CZ ARG A 53 -9.691 -3.493 -10.781 1.00 22.12 C ATOM 828 NH1 ARG A 53 -9.306 -4.224 -11.827 1.00 52.33 N ATOM 829 NH2 ARG A 53 -10.982 -3.268 -10.575 1.00 14.44 N ATOM 0 H ARG A 53 -4.850 -2.468 -6.891 1.00 3.43 H new ATOM 0 HA ARG A 53 -5.959 0.011 -7.534 1.00 31.12 H new ATOM 0 HB2 ARG A 53 -7.106 -2.805 -7.276 1.00 34.04 H new ATOM 0 HB3 ARG A 53 -8.084 -1.462 -7.833 1.00 34.04 H new ATOM 0 HG2 ARG A 53 -6.634 -1.138 -9.789 1.00 5.10 H new ATOM 0 HG3 ARG A 53 -5.496 -2.333 -9.198 1.00 5.10 H new ATOM 0 HD2 ARG A 53 -7.016 -3.200 -11.016 1.00 2.23 H new ATOM 0 HD3 ARG A 53 -7.075 -4.147 -9.543 1.00 2.23 H new ATOM 0 HE ARG A 53 -9.161 -2.431 -9.140 1.00 73.02 H new ATOM 0 HH11 ARG A 53 -8.315 -4.413 -11.980 1.00 52.33 H new ATOM 0 HH12 ARG A 53 -10.002 -4.595 -12.474 1.00 52.33 H new ATOM 0 HH21 ARG A 53 -11.282 -2.722 -9.767 1.00 14.44 H new ATOM 0 HH22 ARG A 53 -11.675 -3.641 -11.224 1.00 14.44 H new ATOM 843 N GLN A 54 -7.093 -1.252 -4.673 1.00 1.51 N ATOM 844 CA GLN A 54 -7.839 -0.967 -3.426 1.00 64.51 C ATOM 845 C GLN A 54 -7.168 0.160 -2.621 1.00 40.35 C ATOM 846 O GLN A 54 -7.846 0.939 -1.947 1.00 43.01 O ATOM 847 CB GLN A 54 -7.946 -2.242 -2.555 1.00 73.54 C ATOM 848 CG GLN A 54 -8.825 -3.354 -3.145 1.00 72.05 C ATOM 849 CD GLN A 54 -8.912 -4.615 -2.274 1.00 25.23 C ATOM 850 OE1 GLN A 54 -7.837 -4.966 -1.576 1.00 72.52 O flip ATOM 851 NE2 GLN A 54 -9.938 -5.293 -2.253 1.00 53.22 N flip ATOM 0 H GLN A 54 -6.651 -2.171 -4.684 1.00 1.51 H new ATOM 0 HA GLN A 54 -8.840 -0.640 -3.706 1.00 64.51 H new ATOM 0 HB2 GLN A 54 -6.944 -2.639 -2.392 1.00 73.54 H new ATOM 0 HB3 GLN A 54 -8.342 -1.965 -1.578 1.00 73.54 H new ATOM 0 HG2 GLN A 54 -9.831 -2.963 -3.300 1.00 72.05 H new ATOM 0 HG3 GLN A 54 -8.435 -3.629 -4.125 1.00 72.05 H new ATOM 0 HE21 GLN A 54 -10.751 -5.004 -2.797 1.00 53.22 H new ATOM 0 HE22 GLN A 54 -9.976 -6.144 -1.692 1.00 53.22 H new ATOM 860 N LEU A 55 -5.833 0.228 -2.691 1.00 20.14 N ATOM 861 CA LEU A 55 -5.059 1.275 -2.017 1.00 75.14 C ATOM 862 C LEU A 55 -5.235 2.619 -2.752 1.00 14.12 C ATOM 863 O LEU A 55 -5.317 3.653 -2.112 1.00 72.21 O ATOM 864 CB LEU A 55 -3.573 0.856 -1.889 1.00 73.42 C ATOM 865 CG LEU A 55 -3.306 -0.420 -1.019 1.00 65.22 C ATOM 866 CD1 LEU A 55 -1.835 -0.858 -1.095 1.00 45.00 C ATOM 867 CD2 LEU A 55 -3.750 -0.228 0.449 1.00 4.12 C ATOM 0 H LEU A 55 -5.263 -0.437 -3.213 1.00 20.14 H new ATOM 0 HA LEU A 55 -5.436 1.409 -1.003 1.00 75.14 H new ATOM 0 HB2 LEU A 55 -3.175 0.683 -2.889 1.00 73.42 H new ATOM 0 HB3 LEU A 55 -3.014 1.689 -1.463 1.00 73.42 H new ATOM 0 HG LEU A 55 -3.917 -1.218 -1.441 1.00 65.22 H new ATOM 0 HD11 LEU A 55 -1.687 -1.745 -0.480 1.00 45.00 H new ATOM 0 HD12 LEU A 55 -1.576 -1.086 -2.129 1.00 45.00 H new ATOM 0 HD13 LEU A 55 -1.196 -0.053 -0.730 1.00 45.00 H new ATOM 0 HD21 LEU A 55 -3.545 -1.138 1.013 1.00 4.12 H new ATOM 0 HD22 LEU A 55 -3.200 0.603 0.890 1.00 4.12 H new ATOM 0 HD23 LEU A 55 -4.818 -0.014 0.481 1.00 4.12 H new ATOM 879 N PHE A 56 -5.355 2.591 -4.095 1.00 13.30 N ATOM 880 CA PHE A 56 -5.679 3.801 -4.897 1.00 51.21 C ATOM 881 C PHE A 56 -7.143 4.268 -4.669 1.00 31.31 C ATOM 882 O PHE A 56 -7.484 5.415 -4.990 1.00 52.33 O ATOM 883 CB PHE A 56 -5.398 3.564 -6.413 1.00 24.43 C ATOM 884 CG PHE A 56 -3.915 3.633 -6.796 1.00 64.35 C ATOM 885 CD1 PHE A 56 -3.244 4.853 -6.796 1.00 12.20 C ATOM 886 CD2 PHE A 56 -3.196 2.503 -7.175 1.00 50.43 C ATOM 887 CE1 PHE A 56 -1.920 4.934 -7.158 1.00 74.15 C ATOM 888 CE2 PHE A 56 -1.864 2.589 -7.533 1.00 12.35 C ATOM 889 CZ PHE A 56 -1.230 3.804 -7.525 1.00 5.24 C ATOM 0 H PHE A 56 -5.233 1.746 -4.652 1.00 13.30 H new ATOM 0 HA PHE A 56 -5.024 4.601 -4.553 1.00 51.21 H new ATOM 0 HB2 PHE A 56 -5.789 2.587 -6.695 1.00 24.43 H new ATOM 0 HB3 PHE A 56 -5.946 4.306 -6.993 1.00 24.43 H new ATOM 0 HD1 PHE A 56 -3.772 5.750 -6.507 1.00 12.20 H new ATOM 0 HD2 PHE A 56 -3.688 1.542 -7.190 1.00 50.43 H new ATOM 0 HE1 PHE A 56 -1.420 5.891 -7.154 1.00 74.15 H new ATOM 0 HE2 PHE A 56 -1.323 1.699 -7.819 1.00 12.35 H new ATOM 0 HZ PHE A 56 -0.190 3.873 -7.807 1.00 5.24 H new ATOM 899 N ARG A 57 -8.005 3.373 -4.125 1.00 63.05 N ATOM 900 CA ARG A 57 -9.387 3.729 -3.701 1.00 64.32 C ATOM 901 C ARG A 57 -9.380 4.577 -2.411 1.00 21.42 C ATOM 902 O ARG A 57 -10.365 5.272 -2.108 1.00 11.45 O ATOM 903 CB ARG A 57 -10.245 2.462 -3.452 1.00 53.43 C ATOM 904 CG ARG A 57 -10.549 1.605 -4.702 1.00 71.52 C ATOM 905 CD ARG A 57 -11.441 0.392 -4.360 1.00 63.53 C ATOM 906 NE ARG A 57 -12.756 0.807 -3.804 1.00 73.50 N ATOM 907 CZ ARG A 57 -13.179 0.598 -2.538 1.00 45.52 C ATOM 908 NH1 ARG A 57 -12.406 -0.016 -1.647 1.00 11.14 N ATOM 909 NH2 ARG A 57 -14.379 1.030 -2.166 1.00 65.23 N ATOM 0 H ARG A 57 -7.767 2.394 -3.968 1.00 63.05 H new ATOM 0 HA ARG A 57 -9.821 4.309 -4.515 1.00 64.32 H new ATOM 0 HB2 ARG A 57 -9.733 1.837 -2.720 1.00 53.43 H new ATOM 0 HB3 ARG A 57 -11.191 2.768 -3.004 1.00 53.43 H new ATOM 0 HG2 ARG A 57 -11.044 2.220 -5.453 1.00 71.52 H new ATOM 0 HG3 ARG A 57 -9.614 1.257 -5.141 1.00 71.52 H new ATOM 0 HD2 ARG A 57 -11.599 -0.206 -5.257 1.00 63.53 H new ATOM 0 HD3 ARG A 57 -10.927 -0.244 -3.639 1.00 63.53 H new ATOM 0 HE ARG A 57 -13.395 1.292 -4.434 1.00 73.50 H new ATOM 0 HH11 ARG A 57 -11.476 -0.338 -1.915 1.00 11.14 H new ATOM 0 HH12 ARG A 57 -12.743 -0.165 -0.696 1.00 11.14 H new ATOM 0 HH21 ARG A 57 -14.976 1.517 -2.835 1.00 65.23 H new ATOM 0 HH22 ARG A 57 -14.704 0.875 -1.212 1.00 65.23 H new ATOM 923 N ILE A 58 -8.269 4.499 -1.652 1.00 1.25 N ATOM 924 CA ILE A 58 -8.109 5.202 -0.372 1.00 13.31 C ATOM 925 C ILE A 58 -7.790 6.665 -0.676 1.00 21.42 C ATOM 926 O ILE A 58 -6.786 6.955 -1.349 1.00 44.33 O ATOM 927 CB ILE A 58 -6.967 4.553 0.497 1.00 62.12 C ATOM 928 CG1 ILE A 58 -7.249 3.033 0.675 1.00 62.35 C ATOM 929 CG2 ILE A 58 -6.807 5.267 1.866 1.00 42.44 C ATOM 930 CD1 ILE A 58 -6.218 2.271 1.482 1.00 54.31 C ATOM 0 H ILE A 58 -7.456 3.943 -1.915 1.00 1.25 H new ATOM 0 HA ILE A 58 -9.030 5.127 0.207 1.00 13.31 H new ATOM 0 HB ILE A 58 -6.019 4.677 -0.027 1.00 62.12 H new ATOM 0 HG12 ILE A 58 -8.221 2.915 1.154 1.00 62.35 H new ATOM 0 HG13 ILE A 58 -7.323 2.576 -0.312 1.00 62.35 H new ATOM 0 HG21 ILE A 58 -6.009 4.789 2.435 1.00 42.44 H new ATOM 0 HG22 ILE A 58 -6.558 6.316 1.703 1.00 42.44 H new ATOM 0 HG23 ILE A 58 -7.741 5.199 2.423 1.00 42.44 H new ATOM 0 HD11 ILE A 58 -6.509 1.222 1.546 1.00 54.31 H new ATOM 0 HD12 ILE A 58 -5.245 2.349 0.996 1.00 54.31 H new ATOM 0 HD13 ILE A 58 -6.157 2.693 2.485 1.00 54.31 H new ATOM 942 N GLU A 59 -8.676 7.564 -0.228 1.00 71.22 N ATOM 943 CA GLU A 59 -8.601 8.993 -0.541 1.00 2.30 C ATOM 944 C GLU A 59 -7.315 9.608 0.029 1.00 43.32 C ATOM 945 O GLU A 59 -7.168 9.753 1.249 1.00 24.33 O ATOM 946 CB GLU A 59 -9.850 9.726 0.001 1.00 43.41 C ATOM 947 CG GLU A 59 -11.184 9.163 -0.532 1.00 45.34 C ATOM 948 CD GLU A 59 -12.398 9.951 -0.028 1.00 3.24 C ATOM 949 OE1 GLU A 59 -12.889 9.671 1.088 1.00 20.14 O ATOM 950 OE2 GLU A 59 -12.852 10.870 -0.734 1.00 51.03 O ATOM 0 H GLU A 59 -9.468 7.317 0.365 1.00 71.22 H new ATOM 0 HA GLU A 59 -8.576 9.110 -1.624 1.00 2.30 H new ATOM 0 HB2 GLU A 59 -9.851 9.667 1.089 1.00 43.41 H new ATOM 0 HB3 GLU A 59 -9.782 10.782 -0.261 1.00 43.41 H new ATOM 0 HG2 GLU A 59 -11.172 9.179 -1.622 1.00 45.34 H new ATOM 0 HG3 GLU A 59 -11.281 8.120 -0.230 1.00 45.34 H new ATOM 957 N GLY A 60 -6.367 9.905 -0.872 1.00 74.13 N ATOM 958 CA GLY A 60 -5.094 10.497 -0.498 1.00 71.35 C ATOM 959 C GLY A 60 -3.896 9.772 -1.082 1.00 60.43 C ATOM 960 O GLY A 60 -2.792 10.296 -1.018 1.00 11.41 O ATOM 0 H GLY A 60 -6.469 9.739 -1.873 1.00 74.13 H new ATOM 0 HA2 GLY A 60 -5.075 11.536 -0.826 1.00 71.35 H new ATOM 0 HA3 GLY A 60 -5.011 10.504 0.589 1.00 71.35 H new ATOM 964 N VAL A 61 -4.098 8.563 -1.631 1.00 43.15 N ATOM 965 CA VAL A 61 -3.001 7.748 -2.186 1.00 20.20 C ATOM 966 C VAL A 61 -2.657 8.203 -3.620 1.00 40.55 C ATOM 967 O VAL A 61 -3.490 8.122 -4.524 1.00 71.50 O ATOM 968 CB VAL A 61 -3.360 6.218 -2.154 1.00 54.21 C ATOM 969 CG1 VAL A 61 -2.267 5.343 -2.825 1.00 24.33 C ATOM 970 CG2 VAL A 61 -3.620 5.767 -0.695 1.00 24.32 C ATOM 0 H VAL A 61 -5.016 8.125 -1.703 1.00 43.15 H new ATOM 0 HA VAL A 61 -2.121 7.896 -1.560 1.00 20.20 H new ATOM 0 HB VAL A 61 -4.270 6.077 -2.737 1.00 54.21 H new ATOM 0 HG11 VAL A 61 -2.561 4.294 -2.778 1.00 24.33 H new ATOM 0 HG12 VAL A 61 -2.151 5.641 -3.867 1.00 24.33 H new ATOM 0 HG13 VAL A 61 -1.320 5.479 -2.302 1.00 24.33 H new ATOM 0 HG21 VAL A 61 -3.868 4.706 -0.681 1.00 24.32 H new ATOM 0 HG22 VAL A 61 -2.725 5.938 -0.096 1.00 24.32 H new ATOM 0 HG23 VAL A 61 -4.450 6.339 -0.280 1.00 24.32 H new ATOM 980 N LYS A 62 -1.421 8.696 -3.786 1.00 24.35 N ATOM 981 CA LYS A 62 -0.857 9.106 -5.084 1.00 10.45 C ATOM 982 C LYS A 62 -0.278 7.895 -5.811 1.00 14.13 C ATOM 983 O LYS A 62 -0.428 7.755 -7.031 1.00 4.14 O ATOM 984 CB LYS A 62 0.271 10.148 -4.866 1.00 71.22 C ATOM 985 CG LYS A 62 0.856 10.776 -6.153 1.00 64.24 C ATOM 986 CD LYS A 62 -0.175 11.642 -6.918 1.00 3.12 C ATOM 987 CE LYS A 62 0.387 12.195 -8.238 1.00 51.32 C ATOM 988 NZ LYS A 62 1.582 13.060 -8.031 1.00 24.15 N ATOM 0 H LYS A 62 -0.772 8.824 -3.009 1.00 24.35 H new ATOM 0 HA LYS A 62 -1.654 9.546 -5.684 1.00 10.45 H new ATOM 0 HB2 LYS A 62 -0.115 10.949 -4.235 1.00 71.22 H new ATOM 0 HB3 LYS A 62 1.081 9.670 -4.315 1.00 71.22 H new ATOM 0 HG2 LYS A 62 1.718 11.390 -5.893 1.00 64.24 H new ATOM 0 HG3 LYS A 62 1.215 9.983 -6.808 1.00 64.24 H new ATOM 0 HD2 LYS A 62 -1.063 11.045 -7.126 1.00 3.12 H new ATOM 0 HD3 LYS A 62 -0.490 12.471 -6.285 1.00 3.12 H new ATOM 0 HE2 LYS A 62 0.652 11.365 -8.892 1.00 51.32 H new ATOM 0 HE3 LYS A 62 -0.388 12.767 -8.748 1.00 51.32 H new ATOM 0 HZ1 LYS A 62 1.872 13.475 -8.939 1.00 24.15 H new ATOM 0 HZ2 LYS A 62 1.348 13.821 -7.361 1.00 24.15 H new ATOM 0 HZ3 LYS A 62 2.362 12.489 -7.647 1.00 24.15 H new ATOM 1002 N SER A 63 0.414 7.034 -5.040 1.00 23.45 N ATOM 1003 CA SER A 63 1.196 5.913 -5.584 1.00 60.30 C ATOM 1004 C SER A 63 1.271 4.759 -4.571 1.00 13.03 C ATOM 1005 O SER A 63 1.236 4.981 -3.354 1.00 21.53 O ATOM 1006 CB SER A 63 2.623 6.389 -5.954 1.00 41.25 C ATOM 1007 OG SER A 63 2.598 7.480 -6.865 1.00 4.42 O ATOM 0 H SER A 63 0.445 7.098 -4.023 1.00 23.45 H new ATOM 0 HA SER A 63 0.697 5.550 -6.483 1.00 60.30 H new ATOM 0 HB2 SER A 63 3.153 6.684 -5.049 1.00 41.25 H new ATOM 0 HB3 SER A 63 3.179 5.561 -6.394 1.00 41.25 H new ATOM 0 HG SER A 63 2.091 7.227 -7.664 1.00 4.42 H new ATOM 1013 N VAL A 64 1.358 3.530 -5.101 1.00 53.21 N ATOM 1014 CA VAL A 64 1.562 2.300 -4.321 1.00 43.02 C ATOM 1015 C VAL A 64 2.866 1.635 -4.781 1.00 10.31 C ATOM 1016 O VAL A 64 3.091 1.481 -5.973 1.00 45.50 O ATOM 1017 CB VAL A 64 0.372 1.283 -4.505 1.00 62.00 C ATOM 1018 CG1 VAL A 64 0.622 -0.046 -3.742 1.00 71.32 C ATOM 1019 CG2 VAL A 64 -0.965 1.921 -4.078 1.00 34.12 C ATOM 0 H VAL A 64 1.287 3.360 -6.104 1.00 53.21 H new ATOM 0 HA VAL A 64 1.611 2.570 -3.266 1.00 43.02 H new ATOM 0 HB VAL A 64 0.314 1.040 -5.566 1.00 62.00 H new ATOM 0 HG11 VAL A 64 -0.222 -0.718 -3.896 1.00 71.32 H new ATOM 0 HG12 VAL A 64 1.532 -0.515 -4.116 1.00 71.32 H new ATOM 0 HG13 VAL A 64 0.732 0.161 -2.677 1.00 71.32 H new ATOM 0 HG21 VAL A 64 -1.772 1.201 -4.214 1.00 34.12 H new ATOM 0 HG22 VAL A 64 -0.911 2.212 -3.029 1.00 34.12 H new ATOM 0 HG23 VAL A 64 -1.159 2.802 -4.689 1.00 34.12 H new ATOM 1029 N PHE A 65 3.702 1.250 -3.828 1.00 41.03 N ATOM 1030 CA PHE A 65 4.940 0.513 -4.079 1.00 64.20 C ATOM 1031 C PHE A 65 4.949 -0.706 -3.164 1.00 30.22 C ATOM 1032 O PHE A 65 4.931 -0.560 -1.946 1.00 30.13 O ATOM 1033 CB PHE A 65 6.179 1.414 -3.804 1.00 34.30 C ATOM 1034 CG PHE A 65 7.531 0.701 -3.944 1.00 54.41 C ATOM 1035 CD1 PHE A 65 8.069 0.433 -5.203 1.00 1.34 C ATOM 1036 CD2 PHE A 65 8.261 0.291 -2.817 1.00 70.34 C ATOM 1037 CE1 PHE A 65 9.283 -0.215 -5.337 1.00 32.42 C ATOM 1038 CE2 PHE A 65 9.472 -0.359 -2.956 1.00 1.24 C ATOM 1039 CZ PHE A 65 9.986 -0.608 -4.213 1.00 13.41 C ATOM 0 H PHE A 65 3.540 1.443 -2.840 1.00 41.03 H new ATOM 0 HA PHE A 65 4.989 0.202 -5.122 1.00 64.20 H new ATOM 0 HB2 PHE A 65 6.156 2.260 -4.491 1.00 34.30 H new ATOM 0 HB3 PHE A 65 6.100 1.820 -2.796 1.00 34.30 H new ATOM 0 HD1 PHE A 65 7.528 0.737 -6.087 1.00 1.34 H new ATOM 0 HD2 PHE A 65 7.871 0.486 -1.829 1.00 70.34 H new ATOM 0 HE1 PHE A 65 9.683 -0.414 -6.320 1.00 32.42 H new ATOM 0 HE2 PHE A 65 10.018 -0.673 -2.079 1.00 1.24 H new ATOM 0 HZ PHE A 65 10.937 -1.109 -4.318 1.00 13.41 H new ATOM 1049 N PHE A 66 4.964 -1.900 -3.744 1.00 32.14 N ATOM 1050 CA PHE A 66 5.125 -3.133 -2.975 1.00 34.30 C ATOM 1051 C PHE A 66 6.617 -3.497 -2.928 1.00 21.15 C ATOM 1052 O PHE A 66 7.327 -3.413 -3.935 1.00 4.15 O ATOM 1053 CB PHE A 66 4.302 -4.289 -3.586 1.00 64.33 C ATOM 1054 CG PHE A 66 2.793 -4.088 -3.566 1.00 64.30 C ATOM 1055 CD1 PHE A 66 2.121 -3.859 -2.370 1.00 71.01 C ATOM 1056 CD2 PHE A 66 2.046 -4.141 -4.741 1.00 74.52 C ATOM 1057 CE1 PHE A 66 0.752 -3.682 -2.347 1.00 23.41 C ATOM 1058 CE2 PHE A 66 0.677 -3.965 -4.716 1.00 33.15 C ATOM 1059 CZ PHE A 66 0.028 -3.737 -3.522 1.00 1.15 C ATOM 0 H PHE A 66 4.866 -2.043 -4.749 1.00 32.14 H new ATOM 0 HA PHE A 66 4.752 -2.972 -1.963 1.00 34.30 H new ATOM 0 HB2 PHE A 66 4.620 -4.435 -4.618 1.00 64.33 H new ATOM 0 HB3 PHE A 66 4.538 -5.207 -3.047 1.00 64.33 H new ATOM 0 HD1 PHE A 66 2.678 -3.819 -1.446 1.00 71.01 H new ATOM 0 HD2 PHE A 66 2.544 -4.322 -5.682 1.00 74.52 H new ATOM 0 HE1 PHE A 66 0.247 -3.500 -1.410 1.00 23.41 H new ATOM 0 HE2 PHE A 66 0.112 -4.006 -5.636 1.00 33.15 H new ATOM 0 HZ PHE A 66 -1.043 -3.602 -3.505 1.00 1.15 H new ATOM 1069 N GLY A 67 7.059 -3.875 -1.738 1.00 30.04 N ATOM 1070 CA GLY A 67 8.434 -4.270 -1.460 1.00 11.30 C ATOM 1071 C GLY A 67 8.476 -5.588 -0.696 1.00 24.43 C ATOM 1072 O GLY A 67 7.409 -6.168 -0.427 1.00 4.10 O ATOM 0 H GLY A 67 6.456 -3.917 -0.916 1.00 30.04 H new ATOM 0 HA2 GLY A 67 8.985 -4.369 -2.396 1.00 11.30 H new ATOM 0 HA3 GLY A 67 8.930 -3.492 -0.879 1.00 11.30 H new ATOM 1076 N PRO A 68 9.694 -6.115 -0.360 1.00 40.33 N ATOM 1077 CA PRO A 68 9.847 -7.403 0.362 1.00 31.53 C ATOM 1078 C PRO A 68 9.160 -7.350 1.752 1.00 21.14 C ATOM 1079 O PRO A 68 9.657 -6.676 2.667 1.00 5.21 O ATOM 1080 CB PRO A 68 11.387 -7.574 0.485 1.00 4.34 C ATOM 1081 CG PRO A 68 11.942 -6.183 0.344 1.00 51.11 C ATOM 1082 CD PRO A 68 11.014 -5.481 -0.629 1.00 0.33 C ATOM 0 HA PRO A 68 9.377 -8.240 -0.155 1.00 31.53 H new ATOM 0 HB2 PRO A 68 11.661 -8.013 1.444 1.00 4.34 H new ATOM 0 HB3 PRO A 68 11.775 -8.235 -0.290 1.00 4.34 H new ATOM 0 HG2 PRO A 68 11.966 -5.669 1.305 1.00 51.11 H new ATOM 0 HG3 PRO A 68 12.965 -6.203 -0.032 1.00 51.11 H new ATOM 0 HD2 PRO A 68 10.987 -4.405 -0.454 1.00 0.33 H new ATOM 0 HD3 PRO A 68 11.328 -5.628 -1.662 1.00 0.33 H new ATOM 1090 N ASP A 69 7.967 -7.991 1.849 1.00 2.50 N ATOM 1091 CA ASP A 69 7.150 -8.090 3.094 1.00 4.01 C ATOM 1092 C ASP A 69 6.600 -6.731 3.549 1.00 13.30 C ATOM 1093 O ASP A 69 6.079 -6.611 4.659 1.00 73.34 O ATOM 1094 CB ASP A 69 7.942 -8.773 4.252 1.00 20.01 C ATOM 1095 CG ASP A 69 8.223 -10.257 3.999 1.00 24.53 C ATOM 1096 OD1 ASP A 69 8.794 -10.598 2.947 1.00 70.32 O ATOM 1097 OD2 ASP A 69 7.875 -11.091 4.853 1.00 53.21 O ATOM 0 H ASP A 69 7.536 -8.462 1.054 1.00 2.50 H new ATOM 0 HA ASP A 69 6.296 -8.720 2.844 1.00 4.01 H new ATOM 0 HB2 ASP A 69 8.888 -8.250 4.394 1.00 20.01 H new ATOM 0 HB3 ASP A 69 7.378 -8.670 5.179 1.00 20.01 H new ATOM 1102 N SER A 70 6.667 -5.734 2.661 1.00 20.54 N ATOM 1103 CA SER A 70 6.353 -4.338 2.983 1.00 44.14 C ATOM 1104 C SER A 70 5.433 -3.746 1.912 1.00 53.23 C ATOM 1105 O SER A 70 5.568 -4.059 0.734 1.00 62.40 O ATOM 1106 CB SER A 70 7.665 -3.537 3.052 1.00 42.43 C ATOM 1107 OG SER A 70 8.598 -4.139 3.938 1.00 44.32 O ATOM 0 H SER A 70 6.943 -5.875 1.689 1.00 20.54 H new ATOM 0 HA SER A 70 5.841 -4.289 3.944 1.00 44.14 H new ATOM 0 HB2 SER A 70 8.102 -3.466 2.056 1.00 42.43 H new ATOM 0 HB3 SER A 70 7.454 -2.519 3.381 1.00 42.43 H new ATOM 0 HG SER A 70 8.934 -4.971 3.544 1.00 44.32 H new ATOM 1113 N ILE A 71 4.495 -2.899 2.334 1.00 3.44 N ATOM 1114 CA ILE A 71 3.578 -2.183 1.434 1.00 24.44 C ATOM 1115 C ILE A 71 3.758 -0.685 1.693 1.00 65.42 C ATOM 1116 O ILE A 71 3.257 -0.161 2.680 1.00 43.03 O ATOM 1117 CB ILE A 71 2.081 -2.615 1.704 1.00 41.44 C ATOM 1118 CG1 ILE A 71 1.910 -4.152 1.489 1.00 52.13 C ATOM 1119 CG2 ILE A 71 1.094 -1.809 0.822 1.00 11.41 C ATOM 1120 CD1 ILE A 71 0.556 -4.710 1.877 1.00 41.12 C ATOM 0 H ILE A 71 4.345 -2.685 3.320 1.00 3.44 H new ATOM 0 HA ILE A 71 3.803 -2.422 0.394 1.00 24.44 H new ATOM 0 HB ILE A 71 1.844 -2.389 2.744 1.00 41.44 H new ATOM 0 HG12 ILE A 71 2.091 -4.378 0.438 1.00 52.13 H new ATOM 0 HG13 ILE A 71 2.677 -4.671 2.064 1.00 52.13 H new ATOM 0 HG21 ILE A 71 0.074 -2.130 1.032 1.00 11.41 H new ATOM 0 HG22 ILE A 71 1.193 -0.746 1.043 1.00 11.41 H new ATOM 0 HG23 ILE A 71 1.320 -1.983 -0.230 1.00 11.41 H new ATOM 0 HD11 ILE A 71 0.538 -5.784 1.690 1.00 41.12 H new ATOM 0 HD12 ILE A 71 0.375 -4.523 2.935 1.00 41.12 H new ATOM 0 HD13 ILE A 71 -0.220 -4.226 1.285 1.00 41.12 H new ATOM 1132 N THR A 72 4.469 0.001 0.800 1.00 62.14 N ATOM 1133 CA THR A 72 4.822 1.414 0.964 1.00 34.21 C ATOM 1134 C THR A 72 3.822 2.269 0.171 1.00 74.12 C ATOM 1135 O THR A 72 3.718 2.131 -1.048 1.00 1.34 O ATOM 1136 CB THR A 72 6.278 1.670 0.449 1.00 2.22 C ATOM 1137 OG1 THR A 72 7.174 0.712 1.045 1.00 21.12 O ATOM 1138 CG2 THR A 72 6.767 3.099 0.762 1.00 52.22 C ATOM 0 H THR A 72 4.820 -0.409 -0.065 1.00 62.14 H new ATOM 0 HA THR A 72 4.780 1.683 2.019 1.00 34.21 H new ATOM 0 HB THR A 72 6.268 1.558 -0.635 1.00 2.22 H new ATOM 0 HG1 THR A 72 8.085 0.871 0.721 1.00 21.12 H new ATOM 0 HG21 THR A 72 7.782 3.227 0.385 1.00 52.22 H new ATOM 0 HG22 THR A 72 6.108 3.822 0.282 1.00 52.22 H new ATOM 0 HG23 THR A 72 6.758 3.259 1.840 1.00 52.22 H new ATOM 1146 N VAL A 73 3.088 3.138 0.865 1.00 4.14 N ATOM 1147 CA VAL A 73 2.070 4.005 0.261 1.00 53.42 C ATOM 1148 C VAL A 73 2.598 5.449 0.260 1.00 41.32 C ATOM 1149 O VAL A 73 3.283 5.856 1.197 1.00 2.21 O ATOM 1150 CB VAL A 73 0.714 3.914 1.060 1.00 54.52 C ATOM 1151 CG1 VAL A 73 -0.364 4.835 0.456 1.00 24.23 C ATOM 1152 CG2 VAL A 73 0.204 2.451 1.139 1.00 13.04 C ATOM 0 H VAL A 73 3.182 3.263 1.873 1.00 4.14 H new ATOM 0 HA VAL A 73 1.873 3.681 -0.761 1.00 53.42 H new ATOM 0 HB VAL A 73 0.915 4.258 2.074 1.00 54.52 H new ATOM 0 HG11 VAL A 73 -1.284 4.745 1.033 1.00 24.23 H new ATOM 0 HG12 VAL A 73 -0.017 5.868 0.484 1.00 24.23 H new ATOM 0 HG13 VAL A 73 -0.554 4.544 -0.577 1.00 24.23 H new ATOM 0 HG21 VAL A 73 -0.732 2.422 1.696 1.00 13.04 H new ATOM 0 HG22 VAL A 73 0.039 2.068 0.132 1.00 13.04 H new ATOM 0 HG23 VAL A 73 0.946 1.834 1.645 1.00 13.04 H new ATOM 1162 N THR A 74 2.301 6.203 -0.800 1.00 30.14 N ATOM 1163 CA THR A 74 2.665 7.622 -0.917 1.00 14.10 C ATOM 1164 C THR A 74 1.383 8.470 -1.042 1.00 74.02 C ATOM 1165 O THR A 74 0.437 8.055 -1.711 1.00 13.20 O ATOM 1166 CB THR A 74 3.605 7.835 -2.144 1.00 64.51 C ATOM 1167 OG1 THR A 74 4.741 6.952 -2.038 1.00 53.04 O ATOM 1168 CG2 THR A 74 4.105 9.286 -2.265 1.00 25.43 C ATOM 0 H THR A 74 1.796 5.845 -1.611 1.00 30.14 H new ATOM 0 HA THR A 74 3.205 7.938 -0.024 1.00 14.10 H new ATOM 0 HB THR A 74 3.022 7.613 -3.038 1.00 64.51 H new ATOM 0 HG1 THR A 74 5.331 7.084 -2.809 1.00 53.04 H new ATOM 0 HG21 THR A 74 4.755 9.376 -3.136 1.00 25.43 H new ATOM 0 HG22 THR A 74 3.253 9.956 -2.377 1.00 25.43 H new ATOM 0 HG23 THR A 74 4.662 9.555 -1.368 1.00 25.43 H new ATOM 1176 N LYS A 75 1.363 9.636 -0.368 1.00 61.02 N ATOM 1177 CA LYS A 75 0.226 10.577 -0.368 1.00 22.22 C ATOM 1178 C LYS A 75 0.314 11.531 -1.580 1.00 75.12 C ATOM 1179 O LYS A 75 1.382 11.670 -2.189 1.00 44.10 O ATOM 1180 CB LYS A 75 0.206 11.390 0.960 1.00 41.24 C ATOM 1181 CG LYS A 75 1.365 12.408 1.097 1.00 4.31 C ATOM 1182 CD LYS A 75 1.452 13.072 2.491 1.00 12.24 C ATOM 1183 CE LYS A 75 1.788 12.076 3.615 1.00 44.20 C ATOM 1184 NZ LYS A 75 1.988 12.751 4.921 1.00 55.22 N ATOM 0 H LYS A 75 2.148 9.955 0.200 1.00 61.02 H new ATOM 0 HA LYS A 75 -0.700 10.007 -0.446 1.00 22.22 H new ATOM 0 HB2 LYS A 75 -0.742 11.923 1.032 1.00 41.24 H new ATOM 0 HB3 LYS A 75 0.246 10.695 1.799 1.00 41.24 H new ATOM 0 HG2 LYS A 75 2.307 11.902 0.887 1.00 4.31 H new ATOM 0 HG3 LYS A 75 1.245 13.185 0.342 1.00 4.31 H new ATOM 0 HD2 LYS A 75 2.211 13.854 2.468 1.00 12.24 H new ATOM 0 HD3 LYS A 75 0.502 13.557 2.716 1.00 12.24 H new ATOM 0 HE2 LYS A 75 0.983 11.347 3.704 1.00 44.20 H new ATOM 0 HE3 LYS A 75 2.690 11.524 3.351 1.00 44.20 H new ATOM 0 HZ1 LYS A 75 2.195 12.040 5.651 1.00 55.22 H new ATOM 0 HZ2 LYS A 75 2.784 13.416 4.850 1.00 55.22 H new ATOM 0 HZ3 LYS A 75 1.125 13.271 5.179 1.00 55.22 H new ATOM 1198 N GLU A 76 -0.815 12.184 -1.915 1.00 52.54 N ATOM 1199 CA GLU A 76 -0.906 13.123 -3.053 1.00 42.03 C ATOM 1200 C GLU A 76 -0.146 14.423 -2.767 1.00 64.11 C ATOM 1201 O GLU A 76 0.764 14.807 -3.513 1.00 52.55 O ATOM 1202 CB GLU A 76 -2.386 13.433 -3.375 1.00 53.01 C ATOM 1203 CG GLU A 76 -3.209 12.207 -3.809 1.00 70.42 C ATOM 1204 CD GLU A 76 -4.658 12.577 -4.142 1.00 35.21 C ATOM 1205 OE1 GLU A 76 -4.927 12.964 -5.299 1.00 5.20 O ATOM 1206 OE2 GLU A 76 -5.524 12.525 -3.245 1.00 70.52 O ATOM 0 H GLU A 76 -1.692 12.076 -1.405 1.00 52.54 H new ATOM 0 HA GLU A 76 -0.444 12.646 -3.917 1.00 42.03 H new ATOM 0 HB2 GLU A 76 -2.852 13.876 -2.495 1.00 53.01 H new ATOM 0 HB3 GLU A 76 -2.425 14.181 -4.167 1.00 53.01 H new ATOM 0 HG2 GLU A 76 -2.743 11.747 -4.681 1.00 70.42 H new ATOM 0 HG3 GLU A 76 -3.199 11.463 -3.012 1.00 70.42 H new ATOM 1213 N ASN A 77 -0.528 15.080 -1.668 1.00 24.22 N ATOM 1214 CA ASN A 77 0.050 16.363 -1.249 1.00 54.23 C ATOM 1215 C ASN A 77 0.329 16.344 0.255 1.00 3.43 C ATOM 1216 O ASN A 77 -0.237 15.524 0.994 1.00 42.22 O ATOM 1217 CB ASN A 77 -0.871 17.556 -1.647 1.00 53.44 C ATOM 1218 CG ASN A 77 -2.295 17.515 -1.069 1.00 11.24 C ATOM 1219 OD1 ASN A 77 -2.876 16.454 -0.855 1.00 25.22 O ATOM 1220 ND2 ASN A 77 -2.869 18.680 -0.812 1.00 64.22 N ATOM 0 H ASN A 77 -1.252 14.735 -1.038 1.00 24.22 H new ATOM 0 HA ASN A 77 0.996 16.506 -1.771 1.00 54.23 H new ATOM 0 HB2 ASN A 77 -0.394 18.483 -1.327 1.00 53.44 H new ATOM 0 HB3 ASN A 77 -0.940 17.592 -2.734 1.00 53.44 H new ATOM 0 HD21 ASN A 77 -3.813 18.709 -0.428 1.00 64.22 H new ATOM 0 HD22 ASN A 77 -2.367 19.548 -0.998 1.00 64.22 H new ATOM 1227 N GLU A 78 1.182 17.284 0.694 1.00 50.41 N ATOM 1228 CA GLU A 78 1.716 17.353 2.075 1.00 52.22 C ATOM 1229 C GLU A 78 0.625 17.711 3.108 1.00 33.43 C ATOM 1230 O GLU A 78 0.861 17.619 4.314 1.00 65.42 O ATOM 1231 CB GLU A 78 2.871 18.385 2.121 1.00 74.54 C ATOM 1232 CG GLU A 78 3.983 18.132 1.074 1.00 55.15 C ATOM 1233 CD GLU A 78 5.035 19.249 1.023 1.00 55.42 C ATOM 1234 OE1 GLU A 78 4.662 20.403 0.743 1.00 21.44 O ATOM 1235 OE2 GLU A 78 6.234 18.986 1.236 1.00 30.04 O ATOM 0 H GLU A 78 1.529 18.032 0.094 1.00 50.41 H new ATOM 0 HA GLU A 78 2.089 16.365 2.346 1.00 52.22 H new ATOM 0 HB2 GLU A 78 2.460 19.382 1.965 1.00 74.54 H new ATOM 0 HB3 GLU A 78 3.314 18.375 3.117 1.00 74.54 H new ATOM 0 HG2 GLU A 78 4.477 17.187 1.300 1.00 55.15 H new ATOM 0 HG3 GLU A 78 3.528 18.026 0.089 1.00 55.15 H new ATOM 1242 N GLU A 79 -0.558 18.119 2.608 1.00 44.14 N ATOM 1243 CA GLU A 79 -1.756 18.422 3.413 1.00 23.32 C ATOM 1244 C GLU A 79 -2.250 17.170 4.160 1.00 41.34 C ATOM 1245 O GLU A 79 -2.734 17.253 5.295 1.00 60.32 O ATOM 1246 CB GLU A 79 -2.879 18.923 2.467 1.00 70.33 C ATOM 1247 CG GLU A 79 -4.215 19.280 3.156 1.00 30.23 C ATOM 1248 CD GLU A 79 -5.373 19.470 2.164 1.00 51.43 C ATOM 1249 OE1 GLU A 79 -5.411 20.506 1.473 1.00 42.42 O ATOM 1250 OE2 GLU A 79 -6.236 18.572 2.054 1.00 51.30 O ATOM 0 H GLU A 79 -0.710 18.250 1.608 1.00 44.14 H new ATOM 0 HA GLU A 79 -1.501 19.185 4.148 1.00 23.32 H new ATOM 0 HB2 GLU A 79 -2.517 19.803 1.935 1.00 70.33 H new ATOM 0 HB3 GLU A 79 -3.070 18.154 1.718 1.00 70.33 H new ATOM 0 HG2 GLU A 79 -4.475 18.491 3.862 1.00 30.23 H new ATOM 0 HG3 GLU A 79 -4.086 20.195 3.734 1.00 30.23 H new ATOM 1257 N LEU A 80 -2.104 16.017 3.501 1.00 64.03 N ATOM 1258 CA LEU A 80 -2.674 14.744 3.947 1.00 60.30 C ATOM 1259 C LEU A 80 -1.829 14.135 5.057 1.00 42.14 C ATOM 1260 O LEU A 80 -0.629 13.897 4.878 1.00 11.11 O ATOM 1261 CB LEU A 80 -2.729 13.776 2.758 1.00 42.42 C ATOM 1262 CG LEU A 80 -3.557 14.269 1.540 1.00 12.02 C ATOM 1263 CD1 LEU A 80 -3.276 13.389 0.329 1.00 11.34 C ATOM 1264 CD2 LEU A 80 -5.069 14.324 1.865 1.00 1.24 C ATOM 0 H LEU A 80 -1.579 15.941 2.630 1.00 64.03 H new ATOM 0 HA LEU A 80 -3.677 14.923 4.334 1.00 60.30 H new ATOM 0 HB2 LEU A 80 -1.710 13.575 2.427 1.00 42.42 H new ATOM 0 HB3 LEU A 80 -3.146 12.829 3.100 1.00 42.42 H new ATOM 0 HG LEU A 80 -3.250 15.288 1.304 1.00 12.02 H new ATOM 0 HD11 LEU A 80 -3.861 13.742 -0.521 1.00 11.34 H new ATOM 0 HD12 LEU A 80 -2.215 13.436 0.084 1.00 11.34 H new ATOM 0 HD13 LEU A 80 -3.551 12.359 0.556 1.00 11.34 H new ATOM 0 HD21 LEU A 80 -5.617 14.673 0.990 1.00 1.24 H new ATOM 0 HD22 LEU A 80 -5.419 13.329 2.139 1.00 1.24 H new ATOM 0 HD23 LEU A 80 -5.238 15.009 2.696 1.00 1.24 H new ATOM 1276 N ASP A 81 -2.456 13.925 6.198 1.00 52.23 N ATOM 1277 CA ASP A 81 -1.841 13.217 7.330 1.00 61.21 C ATOM 1278 C ASP A 81 -2.124 11.713 7.212 1.00 63.51 C ATOM 1279 O ASP A 81 -3.199 11.319 6.757 1.00 2.14 O ATOM 1280 CB ASP A 81 -2.368 13.778 8.669 1.00 54.23 C ATOM 1281 CG ASP A 81 -1.654 13.165 9.886 1.00 1.41 C ATOM 1282 OD1 ASP A 81 -0.506 13.559 10.178 1.00 42.15 O ATOM 1283 OD2 ASP A 81 -2.219 12.274 10.533 1.00 64.11 O ATOM 0 H ASP A 81 -3.410 14.237 6.378 1.00 52.23 H new ATOM 0 HA ASP A 81 -0.762 13.371 7.307 1.00 61.21 H new ATOM 0 HB2 ASP A 81 -2.238 14.860 8.682 1.00 54.23 H new ATOM 0 HB3 ASP A 81 -3.438 13.585 8.744 1.00 54.23 H new ATOM 1288 N TRP A 82 -1.161 10.879 7.645 1.00 34.13 N ATOM 1289 CA TRP A 82 -1.241 9.417 7.493 1.00 54.40 C ATOM 1290 C TRP A 82 -2.338 8.792 8.369 1.00 1.01 C ATOM 1291 O TRP A 82 -2.896 7.776 7.976 1.00 74.45 O ATOM 1292 CB TRP A 82 0.141 8.731 7.735 1.00 40.14 C ATOM 1293 CG TRP A 82 1.079 8.827 6.543 1.00 75.12 C ATOM 1294 CD1 TRP A 82 2.320 9.410 6.484 1.00 51.41 C ATOM 1295 CD2 TRP A 82 0.825 8.311 5.225 1.00 5.33 C ATOM 1296 NE1 TRP A 82 2.840 9.294 5.218 1.00 50.32 N ATOM 1297 CE2 TRP A 82 1.942 8.622 4.429 1.00 23.43 C ATOM 1298 CE3 TRP A 82 -0.247 7.619 4.643 1.00 25.52 C ATOM 1299 CZ2 TRP A 82 2.016 8.268 3.090 1.00 52.14 C ATOM 1300 CZ3 TRP A 82 -0.163 7.265 3.318 1.00 44.14 C ATOM 1301 CH2 TRP A 82 0.956 7.595 2.555 1.00 12.04 C ATOM 0 H TRP A 82 -0.310 11.199 8.108 1.00 34.13 H new ATOM 0 HA TRP A 82 -1.523 9.233 6.456 1.00 54.40 H new ATOM 0 HB2 TRP A 82 0.619 9.188 8.602 1.00 40.14 H new ATOM 0 HB3 TRP A 82 -0.020 7.681 7.977 1.00 40.14 H new ATOM 0 HD1 TRP A 82 2.816 9.891 7.314 1.00 51.41 H new ATOM 0 HE1 TRP A 82 3.746 9.650 4.914 1.00 50.32 H new ATOM 0 HE3 TRP A 82 -1.122 7.369 5.225 1.00 25.52 H new ATOM 0 HZ2 TRP A 82 2.881 8.516 2.493 1.00 52.14 H new ATOM 0 HZ3 TRP A 82 -0.977 6.722 2.860 1.00 44.14 H new ATOM 0 HH2 TRP A 82 0.985 7.311 1.513 1.00 12.04 H new ATOM 1312 N ASN A 83 -2.691 9.425 9.517 1.00 42.41 N ATOM 1313 CA ASN A 83 -3.774 8.923 10.412 1.00 14.21 C ATOM 1314 C ASN A 83 -5.140 8.897 9.692 1.00 73.03 C ATOM 1315 O ASN A 83 -6.060 8.218 10.147 1.00 22.32 O ATOM 1316 CB ASN A 83 -3.900 9.740 11.736 1.00 31.45 C ATOM 1317 CG ASN A 83 -2.760 9.492 12.733 1.00 22.30 C ATOM 1318 OD1 ASN A 83 -2.758 8.499 13.456 1.00 65.44 O ATOM 1319 ND2 ASN A 83 -1.830 10.421 12.830 1.00 4.24 N ATOM 0 H ASN A 83 -2.245 10.281 9.847 1.00 42.41 H new ATOM 0 HA ASN A 83 -3.485 7.905 10.675 1.00 14.21 H new ATOM 0 HB2 ASN A 83 -3.932 10.802 11.494 1.00 31.45 H new ATOM 0 HB3 ASN A 83 -4.848 9.493 12.215 1.00 31.45 H new ATOM 0 HD21 ASN A 83 -1.084 10.326 13.519 1.00 4.24 H new ATOM 0 HD22 ASN A 83 -1.857 11.235 12.216 1.00 4.24 H new ATOM 1326 N LEU A 84 -5.278 9.685 8.606 1.00 51.44 N ATOM 1327 CA LEU A 84 -6.507 9.731 7.795 1.00 22.44 C ATOM 1328 C LEU A 84 -6.634 8.454 6.933 1.00 62.54 C ATOM 1329 O LEU A 84 -7.695 7.834 6.882 1.00 73.15 O ATOM 1330 CB LEU A 84 -6.512 11.003 6.903 1.00 55.21 C ATOM 1331 CG LEU A 84 -6.354 12.360 7.661 1.00 44.14 C ATOM 1332 CD1 LEU A 84 -6.384 13.558 6.688 1.00 2.50 C ATOM 1333 CD2 LEU A 84 -7.413 12.498 8.775 1.00 41.21 C ATOM 0 H LEU A 84 -4.541 10.305 8.269 1.00 51.44 H new ATOM 0 HA LEU A 84 -7.367 9.775 8.463 1.00 22.44 H new ATOM 0 HB2 LEU A 84 -5.705 10.918 6.175 1.00 55.21 H new ATOM 0 HB3 LEU A 84 -7.446 11.028 6.342 1.00 55.21 H new ATOM 0 HG LEU A 84 -5.374 12.364 8.139 1.00 44.14 H new ATOM 0 HD11 LEU A 84 -6.272 14.486 7.249 1.00 2.50 H new ATOM 0 HD12 LEU A 84 -5.567 13.466 5.972 1.00 2.50 H new ATOM 0 HD13 LEU A 84 -7.334 13.570 6.155 1.00 2.50 H new ATOM 0 HD21 LEU A 84 -7.281 13.451 9.287 1.00 41.21 H new ATOM 0 HD22 LEU A 84 -8.410 12.457 8.336 1.00 41.21 H new ATOM 0 HD23 LEU A 84 -7.297 11.683 9.490 1.00 41.21 H new ATOM 1345 N LEU A 85 -5.523 8.064 6.284 1.00 52.12 N ATOM 1346 CA LEU A 85 -5.483 6.924 5.345 1.00 2.34 C ATOM 1347 C LEU A 85 -5.366 5.575 6.088 1.00 44.54 C ATOM 1348 O LEU A 85 -5.985 4.592 5.670 1.00 71.23 O ATOM 1349 CB LEU A 85 -4.310 7.083 4.331 1.00 51.11 C ATOM 1350 CG LEU A 85 -4.354 8.340 3.375 1.00 60.12 C ATOM 1351 CD1 LEU A 85 -3.933 9.641 4.087 1.00 71.43 C ATOM 1352 CD2 LEU A 85 -3.506 8.108 2.108 1.00 21.33 C ATOM 0 H LEU A 85 -4.623 8.531 6.395 1.00 52.12 H new ATOM 0 HA LEU A 85 -6.425 6.924 4.797 1.00 2.34 H new ATOM 0 HB2 LEU A 85 -3.378 7.118 4.894 1.00 51.11 H new ATOM 0 HB3 LEU A 85 -4.274 6.187 3.711 1.00 51.11 H new ATOM 0 HG LEU A 85 -5.394 8.465 3.075 1.00 60.12 H new ATOM 0 HD11 LEU A 85 -3.981 10.473 3.384 1.00 71.43 H new ATOM 0 HD12 LEU A 85 -4.606 9.833 4.923 1.00 71.43 H new ATOM 0 HD13 LEU A 85 -2.913 9.539 4.458 1.00 71.43 H new ATOM 0 HD21 LEU A 85 -3.556 8.990 1.470 1.00 21.33 H new ATOM 0 HD22 LEU A 85 -2.470 7.924 2.392 1.00 21.33 H new ATOM 0 HD23 LEU A 85 -3.892 7.245 1.565 1.00 21.33 H new ATOM 1364 N LYS A 86 -4.574 5.556 7.192 1.00 5.24 N ATOM 1365 CA LYS A 86 -4.245 4.331 7.975 1.00 71.11 C ATOM 1366 C LYS A 86 -5.462 3.415 8.303 1.00 3.40 C ATOM 1367 O LYS A 86 -5.322 2.211 8.116 1.00 62.55 O ATOM 1368 CB LYS A 86 -3.486 4.677 9.288 1.00 12.14 C ATOM 1369 CG LYS A 86 -1.997 5.023 9.119 1.00 63.34 C ATOM 1370 CD LYS A 86 -1.332 5.369 10.473 1.00 25.20 C ATOM 1371 CE LYS A 86 0.163 5.679 10.354 1.00 20.11 C ATOM 1372 NZ LYS A 86 0.761 6.038 11.669 1.00 41.52 N ATOM 0 H LYS A 86 -4.140 6.399 7.569 1.00 5.24 H new ATOM 0 HA LYS A 86 -3.599 3.758 7.310 1.00 71.11 H new ATOM 0 HB2 LYS A 86 -3.985 5.520 9.765 1.00 12.14 H new ATOM 0 HB3 LYS A 86 -3.570 3.830 9.970 1.00 12.14 H new ATOM 0 HG2 LYS A 86 -1.477 4.180 8.663 1.00 63.34 H new ATOM 0 HG3 LYS A 86 -1.895 5.867 8.437 1.00 63.34 H new ATOM 0 HD2 LYS A 86 -1.840 6.229 10.910 1.00 25.20 H new ATOM 0 HD3 LYS A 86 -1.469 4.534 11.161 1.00 25.20 H new ATOM 0 HE2 LYS A 86 0.682 4.813 9.943 1.00 20.11 H new ATOM 0 HE3 LYS A 86 0.309 6.500 9.652 1.00 20.11 H new ATOM 0 HZ1 LYS A 86 1.774 6.241 11.546 1.00 41.52 H new ATOM 0 HZ2 LYS A 86 0.283 6.880 12.050 1.00 41.52 H new ATOM 0 HZ3 LYS A 86 0.645 5.245 12.331 1.00 41.52 H new ATOM 1386 N PRO A 87 -6.639 3.928 8.841 1.00 53.34 N ATOM 1387 CA PRO A 87 -7.812 3.061 9.139 1.00 15.34 C ATOM 1388 C PRO A 87 -8.255 2.226 7.917 1.00 44.32 C ATOM 1389 O PRO A 87 -8.560 1.039 8.058 1.00 44.24 O ATOM 1390 CB PRO A 87 -8.911 4.068 9.578 1.00 50.24 C ATOM 1391 CG PRO A 87 -8.151 5.250 10.098 1.00 32.53 C ATOM 1392 CD PRO A 87 -6.919 5.340 9.231 1.00 21.21 C ATOM 0 HA PRO A 87 -7.590 2.317 9.904 1.00 15.34 H new ATOM 0 HB2 PRO A 87 -9.552 4.345 8.741 1.00 50.24 H new ATOM 0 HB3 PRO A 87 -9.556 3.642 10.346 1.00 50.24 H new ATOM 0 HG2 PRO A 87 -8.746 6.161 10.032 1.00 32.53 H new ATOM 0 HG3 PRO A 87 -7.886 5.117 11.147 1.00 32.53 H new ATOM 0 HD2 PRO A 87 -7.093 5.967 8.357 1.00 21.21 H new ATOM 0 HD3 PRO A 87 -6.081 5.776 9.775 1.00 21.21 H new ATOM 1400 N ASP A 88 -8.255 2.858 6.722 1.00 73.35 N ATOM 1401 CA ASP A 88 -8.640 2.183 5.469 1.00 34.43 C ATOM 1402 C ASP A 88 -7.513 1.238 5.013 1.00 54.43 C ATOM 1403 O ASP A 88 -7.795 0.150 4.551 1.00 41.44 O ATOM 1404 CB ASP A 88 -8.989 3.206 4.345 1.00 71.03 C ATOM 1405 CG ASP A 88 -9.910 2.626 3.238 1.00 63.12 C ATOM 1406 OD1 ASP A 88 -9.533 1.644 2.570 1.00 33.10 O ATOM 1407 OD2 ASP A 88 -11.033 3.135 3.048 1.00 53.44 O ATOM 0 H ASP A 88 -7.992 3.836 6.602 1.00 73.35 H new ATOM 0 HA ASP A 88 -9.539 1.598 5.664 1.00 34.43 H new ATOM 0 HB2 ASP A 88 -9.475 4.073 4.793 1.00 71.03 H new ATOM 0 HB3 ASP A 88 -8.065 3.560 3.888 1.00 71.03 H new ATOM 1412 N ILE A 89 -6.233 1.659 5.186 1.00 3.22 N ATOM 1413 CA ILE A 89 -5.050 0.865 4.763 1.00 21.53 C ATOM 1414 C ILE A 89 -4.995 -0.467 5.539 1.00 52.51 C ATOM 1415 O ILE A 89 -4.817 -1.533 4.942 1.00 42.33 O ATOM 1416 CB ILE A 89 -3.699 1.679 4.944 1.00 73.13 C ATOM 1417 CG1 ILE A 89 -3.681 2.929 4.001 1.00 30.51 C ATOM 1418 CG2 ILE A 89 -2.447 0.791 4.702 1.00 64.14 C ATOM 1419 CD1 ILE A 89 -2.451 3.815 4.110 1.00 74.45 C ATOM 0 H ILE A 89 -5.993 2.551 5.619 1.00 3.22 H new ATOM 0 HA ILE A 89 -5.157 0.649 3.700 1.00 21.53 H new ATOM 0 HB ILE A 89 -3.659 2.018 5.979 1.00 73.13 H new ATOM 0 HG12 ILE A 89 -3.769 2.586 2.970 1.00 30.51 H new ATOM 0 HG13 ILE A 89 -4.563 3.534 4.212 1.00 30.51 H new ATOM 0 HG21 ILE A 89 -1.545 1.389 4.836 1.00 64.14 H new ATOM 0 HG22 ILE A 89 -2.444 -0.035 5.413 1.00 64.14 H new ATOM 0 HG23 ILE A 89 -2.472 0.396 3.687 1.00 64.14 H new ATOM 0 HD11 ILE A 89 -2.541 4.650 3.415 1.00 74.45 H new ATOM 0 HD12 ILE A 89 -2.367 4.197 5.127 1.00 74.45 H new ATOM 0 HD13 ILE A 89 -1.561 3.234 3.866 1.00 74.45 H new ATOM 1431 N TYR A 90 -5.202 -0.380 6.865 1.00 13.55 N ATOM 1432 CA TYR A 90 -5.219 -1.546 7.761 1.00 45.13 C ATOM 1433 C TYR A 90 -6.407 -2.453 7.418 1.00 44.52 C ATOM 1434 O TYR A 90 -6.230 -3.659 7.249 1.00 4.32 O ATOM 1435 CB TYR A 90 -5.269 -1.108 9.252 1.00 71.25 C ATOM 1436 CG TYR A 90 -4.073 -0.253 9.732 1.00 11.41 C ATOM 1437 CD1 TYR A 90 -2.804 -0.355 9.143 1.00 34.52 C ATOM 1438 CD2 TYR A 90 -4.220 0.655 10.785 1.00 45.01 C ATOM 1439 CE1 TYR A 90 -1.741 0.411 9.586 1.00 33.14 C ATOM 1440 CE2 TYR A 90 -3.159 1.422 11.228 1.00 31.30 C ATOM 1441 CZ TYR A 90 -1.921 1.296 10.629 1.00 54.35 C ATOM 1442 OH TYR A 90 -0.863 2.062 11.069 1.00 44.14 O ATOM 0 H TYR A 90 -5.363 0.505 7.345 1.00 13.55 H new ATOM 0 HA TYR A 90 -4.296 -2.107 7.615 1.00 45.13 H new ATOM 0 HB2 TYR A 90 -6.187 -0.544 9.417 1.00 71.25 H new ATOM 0 HB3 TYR A 90 -5.328 -2.001 9.874 1.00 71.25 H new ATOM 0 HD1 TYR A 90 -2.654 -1.046 8.327 1.00 34.52 H new ATOM 0 HD2 TYR A 90 -5.183 0.759 11.262 1.00 45.01 H new ATOM 0 HE1 TYR A 90 -0.773 0.317 9.117 1.00 33.14 H new ATOM 0 HE2 TYR A 90 -3.298 2.119 12.041 1.00 31.30 H new ATOM 0 HH TYR A 90 -0.883 2.117 12.047 1.00 44.14 H new ATOM 1452 N ALA A 91 -7.604 -1.838 7.273 1.00 62.32 N ATOM 1453 CA ALA A 91 -8.847 -2.549 6.914 1.00 64.13 C ATOM 1454 C ALA A 91 -8.673 -3.355 5.612 1.00 12.00 C ATOM 1455 O ALA A 91 -9.009 -4.532 5.564 1.00 65.41 O ATOM 1456 CB ALA A 91 -10.008 -1.552 6.773 1.00 64.33 C ATOM 0 H ALA A 91 -7.732 -0.834 7.402 1.00 62.32 H new ATOM 0 HA ALA A 91 -9.077 -3.251 7.715 1.00 64.13 H new ATOM 0 HB1 ALA A 91 -10.919 -2.089 6.508 1.00 64.33 H new ATOM 0 HB2 ALA A 91 -10.156 -1.030 7.718 1.00 64.33 H new ATOM 0 HB3 ALA A 91 -9.773 -0.828 5.992 1.00 64.33 H new ATOM 1462 N THR A 92 -8.096 -2.694 4.590 1.00 33.12 N ATOM 1463 CA THR A 92 -7.876 -3.253 3.247 1.00 1.12 C ATOM 1464 C THR A 92 -6.922 -4.466 3.277 1.00 44.14 C ATOM 1465 O THR A 92 -7.261 -5.527 2.755 1.00 5.45 O ATOM 1466 CB THR A 92 -7.317 -2.151 2.279 1.00 54.53 C ATOM 1467 OG1 THR A 92 -8.257 -1.074 2.181 1.00 22.24 O ATOM 1468 CG2 THR A 92 -7.051 -2.680 0.869 1.00 22.00 C ATOM 0 H THR A 92 -7.763 -1.734 4.680 1.00 33.12 H new ATOM 0 HA THR A 92 -8.841 -3.600 2.878 1.00 1.12 H new ATOM 0 HB THR A 92 -6.370 -1.816 2.701 1.00 54.53 H new ATOM 0 HG1 THR A 92 -8.210 -0.524 2.991 1.00 22.24 H new ATOM 0 HG21 THR A 92 -6.666 -1.874 0.245 1.00 22.00 H new ATOM 0 HG22 THR A 92 -6.318 -3.485 0.915 1.00 22.00 H new ATOM 0 HG23 THR A 92 -7.979 -3.058 0.441 1.00 22.00 H new ATOM 1476 N ILE A 93 -5.747 -4.287 3.915 1.00 5.22 N ATOM 1477 CA ILE A 93 -4.669 -5.301 3.940 1.00 42.53 C ATOM 1478 C ILE A 93 -5.084 -6.542 4.760 1.00 73.31 C ATOM 1479 O ILE A 93 -4.958 -7.670 4.271 1.00 64.34 O ATOM 1480 CB ILE A 93 -3.324 -4.683 4.493 1.00 72.44 C ATOM 1481 CG1 ILE A 93 -2.798 -3.559 3.536 1.00 33.03 C ATOM 1482 CG2 ILE A 93 -2.232 -5.766 4.723 1.00 24.44 C ATOM 1483 CD1 ILE A 93 -1.592 -2.791 4.058 1.00 21.43 C ATOM 0 H ILE A 93 -5.517 -3.436 4.428 1.00 5.22 H new ATOM 0 HA ILE A 93 -4.496 -5.625 2.914 1.00 42.53 H new ATOM 0 HB ILE A 93 -3.547 -4.241 5.464 1.00 72.44 H new ATOM 0 HG12 ILE A 93 -2.538 -4.009 2.578 1.00 33.03 H new ATOM 0 HG13 ILE A 93 -3.607 -2.853 3.348 1.00 33.03 H new ATOM 0 HG21 ILE A 93 -1.326 -5.294 5.103 1.00 24.44 H new ATOM 0 HG22 ILE A 93 -2.592 -6.497 5.447 1.00 24.44 H new ATOM 0 HG23 ILE A 93 -2.012 -6.267 3.780 1.00 24.44 H new ATOM 0 HD11 ILE A 93 -1.299 -2.035 3.330 1.00 21.43 H new ATOM 0 HD12 ILE A 93 -1.849 -2.307 5.000 1.00 21.43 H new ATOM 0 HD13 ILE A 93 -0.763 -3.480 4.219 1.00 21.43 H new ATOM 1495 N MET A 94 -5.594 -6.323 5.993 1.00 11.22 N ATOM 1496 CA MET A 94 -6.016 -7.423 6.892 1.00 20.23 C ATOM 1497 C MET A 94 -7.150 -8.252 6.250 1.00 14.21 C ATOM 1498 O MET A 94 -7.110 -9.480 6.292 1.00 41.30 O ATOM 1499 CB MET A 94 -6.472 -6.881 8.274 1.00 10.15 C ATOM 1500 CG MET A 94 -5.405 -6.103 9.060 1.00 24.24 C ATOM 1501 SD MET A 94 -5.984 -5.583 10.694 1.00 53.14 S ATOM 1502 CE MET A 94 -7.477 -4.655 10.310 1.00 33.35 C ATOM 0 H MET A 94 -5.724 -5.392 6.390 1.00 11.22 H new ATOM 0 HA MET A 94 -5.151 -8.068 7.046 1.00 20.23 H new ATOM 0 HB2 MET A 94 -7.335 -6.232 8.124 1.00 10.15 H new ATOM 0 HB3 MET A 94 -6.807 -7.721 8.882 1.00 10.15 H new ATOM 0 HG2 MET A 94 -4.518 -6.726 9.174 1.00 24.24 H new ATOM 0 HG3 MET A 94 -5.106 -5.224 8.488 1.00 24.24 H new ATOM 0 HE1 MET A 94 -7.560 -3.803 10.985 1.00 33.35 H new ATOM 0 HE2 MET A 94 -7.430 -4.299 9.281 1.00 33.35 H new ATOM 0 HE3 MET A 94 -8.347 -5.300 10.431 1.00 33.35 H new ATOM 1512 N ASP A 95 -8.145 -7.549 5.661 1.00 51.24 N ATOM 1513 CA ASP A 95 -9.284 -8.162 4.933 1.00 54.30 C ATOM 1514 C ASP A 95 -8.815 -8.963 3.697 1.00 63.22 C ATOM 1515 O ASP A 95 -9.350 -10.039 3.407 1.00 63.22 O ATOM 1516 CB ASP A 95 -10.274 -7.047 4.509 1.00 31.24 C ATOM 1517 CG ASP A 95 -11.432 -7.524 3.621 1.00 10.14 C ATOM 1518 OD1 ASP A 95 -12.398 -8.108 4.151 1.00 10.33 O ATOM 1519 OD2 ASP A 95 -11.389 -7.304 2.387 1.00 11.24 O ATOM 0 H ASP A 95 -8.181 -6.530 5.677 1.00 51.24 H new ATOM 0 HA ASP A 95 -9.780 -8.866 5.601 1.00 54.30 H new ATOM 0 HB2 ASP A 95 -10.687 -6.586 5.406 1.00 31.24 H new ATOM 0 HB3 ASP A 95 -9.722 -6.272 3.978 1.00 31.24 H new ATOM 1524 N PHE A 96 -7.817 -8.412 2.986 1.00 1.13 N ATOM 1525 CA PHE A 96 -7.250 -9.013 1.759 1.00 32.11 C ATOM 1526 C PHE A 96 -6.575 -10.363 2.075 1.00 15.22 C ATOM 1527 O PHE A 96 -6.714 -11.341 1.325 1.00 31.24 O ATOM 1528 CB PHE A 96 -6.230 -8.020 1.130 1.00 33.31 C ATOM 1529 CG PHE A 96 -5.752 -8.384 -0.272 1.00 65.24 C ATOM 1530 CD1 PHE A 96 -6.502 -8.019 -1.392 1.00 52.24 C ATOM 1531 CD2 PHE A 96 -4.562 -9.077 -0.476 1.00 51.52 C ATOM 1532 CE1 PHE A 96 -6.078 -8.334 -2.661 1.00 65.01 C ATOM 1533 CE2 PHE A 96 -4.142 -9.390 -1.745 1.00 1.52 C ATOM 1534 CZ PHE A 96 -4.898 -9.018 -2.841 1.00 14.13 C ATOM 0 H PHE A 96 -7.375 -7.530 3.246 1.00 1.13 H new ATOM 0 HA PHE A 96 -8.052 -9.204 1.047 1.00 32.11 H new ATOM 0 HB2 PHE A 96 -6.684 -7.030 1.096 1.00 33.31 H new ATOM 0 HB3 PHE A 96 -5.362 -7.951 1.786 1.00 33.31 H new ATOM 0 HD1 PHE A 96 -7.429 -7.481 -1.259 1.00 52.24 H new ATOM 0 HD2 PHE A 96 -3.963 -9.371 0.373 1.00 51.52 H new ATOM 0 HE1 PHE A 96 -6.671 -8.045 -3.516 1.00 65.01 H new ATOM 0 HE2 PHE A 96 -3.217 -9.929 -1.888 1.00 1.52 H new ATOM 0 HZ PHE A 96 -4.563 -9.264 -3.838 1.00 14.13 H new ATOM 1544 N PHE A 97 -5.854 -10.382 3.209 1.00 30.43 N ATOM 1545 CA PHE A 97 -5.129 -11.566 3.704 1.00 22.11 C ATOM 1546 C PHE A 97 -6.114 -12.568 4.326 1.00 25.21 C ATOM 1547 O PHE A 97 -5.934 -13.788 4.208 1.00 75.33 O ATOM 1548 CB PHE A 97 -4.049 -11.140 4.741 1.00 51.41 C ATOM 1549 CG PHE A 97 -2.879 -10.299 4.194 1.00 32.53 C ATOM 1550 CD1 PHE A 97 -2.933 -9.634 2.957 1.00 1.11 C ATOM 1551 CD2 PHE A 97 -1.714 -10.170 4.941 1.00 53.20 C ATOM 1552 CE1 PHE A 97 -1.872 -8.879 2.507 1.00 14.23 C ATOM 1553 CE2 PHE A 97 -0.652 -9.420 4.485 1.00 44.01 C ATOM 1554 CZ PHE A 97 -0.734 -8.775 3.273 1.00 31.01 C ATOM 0 H PHE A 97 -5.757 -9.567 3.815 1.00 30.43 H new ATOM 0 HA PHE A 97 -4.628 -12.050 2.866 1.00 22.11 H new ATOM 0 HB2 PHE A 97 -4.538 -10.573 5.533 1.00 51.41 H new ATOM 0 HB3 PHE A 97 -3.640 -12.040 5.200 1.00 51.41 H new ATOM 0 HD1 PHE A 97 -3.822 -9.716 2.349 1.00 1.11 H new ATOM 0 HD2 PHE A 97 -1.640 -10.667 5.897 1.00 53.20 H new ATOM 0 HE1 PHE A 97 -1.933 -8.371 1.556 1.00 14.23 H new ATOM 0 HE2 PHE A 97 0.246 -9.338 5.080 1.00 44.01 H new ATOM 0 HZ PHE A 97 0.099 -8.184 2.921 1.00 31.01 H new ATOM 1564 N ALA A 98 -7.169 -12.029 4.963 1.00 0.23 N ATOM 1565 CA ALA A 98 -8.251 -12.827 5.567 1.00 55.03 C ATOM 1566 C ALA A 98 -9.087 -13.519 4.482 1.00 52.31 C ATOM 1567 O ALA A 98 -9.689 -14.565 4.728 1.00 11.44 O ATOM 1568 CB ALA A 98 -9.142 -11.941 6.450 1.00 35.11 C ATOM 0 H ALA A 98 -7.295 -11.023 5.074 1.00 0.23 H new ATOM 0 HA ALA A 98 -7.800 -13.597 6.192 1.00 55.03 H new ATOM 0 HB1 ALA A 98 -9.936 -12.546 6.888 1.00 35.11 H new ATOM 0 HB2 ALA A 98 -8.542 -11.499 7.245 1.00 35.11 H new ATOM 0 HB3 ALA A 98 -9.582 -11.149 5.844 1.00 35.11 H new ATOM 1574 N SER A 99 -9.112 -12.908 3.284 1.00 42.24 N ATOM 1575 CA SER A 99 -9.760 -13.468 2.096 1.00 53.24 C ATOM 1576 C SER A 99 -8.830 -14.498 1.434 1.00 64.52 C ATOM 1577 O SER A 99 -9.294 -15.530 0.931 1.00 54.14 O ATOM 1578 CB SER A 99 -10.110 -12.329 1.109 1.00 41.02 C ATOM 1579 OG SER A 99 -10.871 -12.797 0.004 1.00 75.20 O ATOM 0 H SER A 99 -8.676 -12.001 3.117 1.00 42.24 H new ATOM 0 HA SER A 99 -10.682 -13.972 2.385 1.00 53.24 H new ATOM 0 HB2 SER A 99 -10.670 -11.555 1.633 1.00 41.02 H new ATOM 0 HB3 SER A 99 -9.191 -11.868 0.747 1.00 41.02 H new ATOM 0 HG SER A 99 -11.073 -12.048 -0.595 1.00 75.20 H new ATOM 1585 N GLY A 100 -7.514 -14.213 1.473 1.00 40.51 N ATOM 1586 CA GLY A 100 -6.497 -15.080 0.871 1.00 2.14 C ATOM 1587 C GLY A 100 -6.361 -14.874 -0.634 1.00 22.31 C ATOM 1588 O GLY A 100 -6.135 -15.835 -1.382 1.00 71.43 O ATOM 0 H GLY A 100 -7.133 -13.379 1.921 1.00 40.51 H new ATOM 0 HA2 GLY A 100 -5.535 -14.890 1.348 1.00 2.14 H new ATOM 0 HA3 GLY A 100 -6.750 -16.121 1.069 1.00 2.14 H new ATOM 1592 N LEU A 101 -6.505 -13.614 -1.070 1.00 54.11 N ATOM 1593 CA LEU A 101 -6.410 -13.223 -2.491 1.00 42.24 C ATOM 1594 C LEU A 101 -4.929 -13.075 -2.917 1.00 10.35 C ATOM 1595 O LEU A 101 -4.090 -12.717 -2.077 1.00 12.51 O ATOM 1596 CB LEU A 101 -7.180 -11.892 -2.719 1.00 43.05 C ATOM 1597 CG LEU A 101 -8.706 -11.927 -2.408 1.00 23.32 C ATOM 1598 CD1 LEU A 101 -9.355 -10.542 -2.602 1.00 63.35 C ATOM 1599 CD2 LEU A 101 -9.418 -13.009 -3.249 1.00 61.12 C ATOM 0 H LEU A 101 -6.692 -12.830 -0.445 1.00 54.11 H new ATOM 0 HA LEU A 101 -6.861 -14.003 -3.104 1.00 42.24 H new ATOM 0 HB2 LEU A 101 -6.721 -11.119 -2.103 1.00 43.05 H new ATOM 0 HB3 LEU A 101 -7.047 -11.592 -3.758 1.00 43.05 H new ATOM 0 HG LEU A 101 -8.824 -12.193 -1.358 1.00 23.32 H new ATOM 0 HD11 LEU A 101 -10.420 -10.604 -2.376 1.00 63.35 H new ATOM 0 HD12 LEU A 101 -8.884 -9.822 -1.933 1.00 63.35 H new ATOM 0 HD13 LEU A 101 -9.221 -10.219 -3.634 1.00 63.35 H new ATOM 0 HD21 LEU A 101 -10.482 -13.012 -3.012 1.00 61.12 H new ATOM 0 HD22 LEU A 101 -9.283 -12.794 -4.309 1.00 61.12 H new ATOM 0 HD23 LEU A 101 -8.993 -13.986 -3.020 1.00 61.12 H new ATOM 1611 N PRO A 102 -4.577 -13.363 -4.219 1.00 53.14 N ATOM 1612 CA PRO A 102 -3.208 -13.125 -4.742 1.00 43.31 C ATOM 1613 C PRO A 102 -2.866 -11.620 -4.701 1.00 40.14 C ATOM 1614 O PRO A 102 -3.630 -10.798 -5.230 1.00 63.31 O ATOM 1615 CB PRO A 102 -3.260 -13.677 -6.197 1.00 62.24 C ATOM 1616 CG PRO A 102 -4.721 -13.662 -6.557 1.00 64.11 C ATOM 1617 CD PRO A 102 -5.468 -13.941 -5.266 1.00 4.12 C ATOM 0 HA PRO A 102 -2.431 -13.612 -4.153 1.00 43.31 H new ATOM 0 HB2 PRO A 102 -2.678 -13.056 -6.878 1.00 62.24 H new ATOM 0 HB3 PRO A 102 -2.848 -14.685 -6.254 1.00 62.24 H new ATOM 0 HG2 PRO A 102 -5.011 -12.698 -6.976 1.00 64.11 H new ATOM 0 HG3 PRO A 102 -4.946 -14.417 -7.310 1.00 64.11 H new ATOM 0 HD2 PRO A 102 -6.451 -13.471 -5.261 1.00 4.12 H new ATOM 0 HD3 PRO A 102 -5.625 -15.009 -5.115 1.00 4.12 H new ATOM 1625 N LEU A 103 -1.738 -11.292 -4.035 1.00 12.33 N ATOM 1626 CA LEU A 103 -1.279 -9.908 -3.781 1.00 45.23 C ATOM 1627 C LEU A 103 -1.259 -9.091 -5.086 1.00 74.21 C ATOM 1628 O LEU A 103 -1.796 -7.982 -5.158 1.00 43.04 O ATOM 1629 CB LEU A 103 0.134 -9.955 -3.106 1.00 22.34 C ATOM 1630 CG LEU A 103 0.535 -8.756 -2.185 1.00 63.50 C ATOM 1631 CD1 LEU A 103 0.721 -7.430 -2.953 1.00 24.42 C ATOM 1632 CD2 LEU A 103 -0.463 -8.610 -1.016 1.00 32.12 C ATOM 0 H LEU A 103 -1.108 -11.996 -3.651 1.00 12.33 H new ATOM 0 HA LEU A 103 -1.974 -9.409 -3.105 1.00 45.23 H new ATOM 0 HB2 LEU A 103 0.194 -10.868 -2.514 1.00 22.34 H new ATOM 0 HB3 LEU A 103 0.881 -10.037 -3.895 1.00 22.34 H new ATOM 0 HG LEU A 103 1.516 -8.991 -1.772 1.00 63.50 H new ATOM 0 HD11 LEU A 103 0.998 -6.641 -2.254 1.00 24.42 H new ATOM 0 HD12 LEU A 103 1.508 -7.548 -3.698 1.00 24.42 H new ATOM 0 HD13 LEU A 103 -0.212 -7.163 -3.450 1.00 24.42 H new ATOM 0 HD21 LEU A 103 -0.166 -7.771 -0.387 1.00 32.12 H new ATOM 0 HD22 LEU A 103 -1.463 -8.432 -1.411 1.00 32.12 H new ATOM 0 HD23 LEU A 103 -0.465 -9.525 -0.423 1.00 32.12 H new ATOM 1644 N VAL A 104 -0.631 -9.683 -6.099 1.00 71.42 N ATOM 1645 CA VAL A 104 -0.585 -9.171 -7.466 1.00 55.14 C ATOM 1646 C VAL A 104 -1.291 -10.224 -8.356 1.00 63.00 C ATOM 1647 O VAL A 104 -0.914 -11.404 -8.313 1.00 32.02 O ATOM 1648 CB VAL A 104 0.914 -8.939 -7.918 1.00 72.14 C ATOM 1649 CG1 VAL A 104 0.995 -8.201 -9.264 1.00 53.30 C ATOM 1650 CG2 VAL A 104 1.727 -8.174 -6.837 1.00 2.02 C ATOM 0 H VAL A 104 -0.124 -10.561 -5.987 1.00 71.42 H new ATOM 0 HA VAL A 104 -1.087 -8.207 -7.549 1.00 55.14 H new ATOM 0 HB VAL A 104 1.358 -9.926 -8.044 1.00 72.14 H new ATOM 0 HG11 VAL A 104 2.040 -8.061 -9.540 1.00 53.30 H new ATOM 0 HG12 VAL A 104 0.493 -8.789 -10.032 1.00 53.30 H new ATOM 0 HG13 VAL A 104 0.510 -7.229 -9.176 1.00 53.30 H new ATOM 0 HG21 VAL A 104 2.751 -8.034 -7.183 1.00 2.02 H new ATOM 0 HG22 VAL A 104 1.268 -7.202 -6.657 1.00 2.02 H new ATOM 0 HG23 VAL A 104 1.733 -8.749 -5.911 1.00 2.02 H new ATOM 1660 N THR A 105 -2.332 -9.798 -9.113 1.00 0.33 N ATOM 1661 CA THR A 105 -3.164 -10.688 -9.973 1.00 30.45 C ATOM 1662 C THR A 105 -2.296 -11.435 -11.005 1.00 45.32 C ATOM 1663 O THR A 105 -2.600 -12.564 -11.396 1.00 20.40 O ATOM 1664 CB THR A 105 -4.275 -9.874 -10.744 1.00 63.41 C ATOM 1665 OG1 THR A 105 -4.774 -8.826 -9.915 1.00 12.41 O ATOM 1666 CG2 THR A 105 -5.461 -10.763 -11.174 1.00 2.35 C ATOM 0 H THR A 105 -2.623 -8.821 -9.147 1.00 0.33 H new ATOM 0 HA THR A 105 -3.642 -11.407 -9.307 1.00 30.45 H new ATOM 0 HB THR A 105 -3.805 -9.469 -11.641 1.00 63.41 H new ATOM 0 HG1 THR A 105 -5.462 -8.324 -10.400 1.00 12.41 H new ATOM 0 HG21 THR A 105 -6.198 -10.157 -11.700 1.00 2.35 H new ATOM 0 HG22 THR A 105 -5.103 -11.553 -11.834 1.00 2.35 H new ATOM 0 HG23 THR A 105 -5.921 -11.208 -10.292 1.00 2.35 H new ATOM 1674 N GLU A 106 -1.238 -10.752 -11.452 1.00 40.33 N ATOM 1675 CA GLU A 106 -0.215 -11.306 -12.337 1.00 71.04 C ATOM 1676 C GLU A 106 1.078 -10.489 -12.152 1.00 63.43 C ATOM 1677 O GLU A 106 1.055 -9.254 -12.209 1.00 0.24 O ATOM 1678 CB GLU A 106 -0.684 -11.287 -13.819 1.00 3.31 C ATOM 1679 CG GLU A 106 -1.212 -9.917 -14.310 1.00 31.23 C ATOM 1680 CD GLU A 106 -1.491 -9.885 -15.815 1.00 24.35 C ATOM 1681 OE1 GLU A 106 -0.563 -9.570 -16.591 1.00 40.20 O ATOM 1682 OE2 GLU A 106 -2.635 -10.169 -16.230 1.00 44.31 O ATOM 0 H GLU A 106 -1.067 -9.778 -11.202 1.00 40.33 H new ATOM 0 HA GLU A 106 -0.031 -12.349 -12.079 1.00 71.04 H new ATOM 0 HB2 GLU A 106 0.149 -11.589 -14.454 1.00 3.31 H new ATOM 0 HB3 GLU A 106 -1.470 -12.032 -13.947 1.00 3.31 H new ATOM 0 HG2 GLU A 106 -2.128 -9.673 -13.772 1.00 31.23 H new ATOM 0 HG3 GLU A 106 -0.483 -9.144 -14.065 1.00 31.23 H new ATOM 1689 N GLU A 107 2.187 -11.180 -11.904 1.00 44.52 N ATOM 1690 CA GLU A 107 3.496 -10.560 -11.652 1.00 55.23 C ATOM 1691 C GLU A 107 4.421 -10.787 -12.881 1.00 10.01 C ATOM 1692 O GLU A 107 4.910 -9.790 -13.470 1.00 31.54 O ATOM 1693 CB GLU A 107 4.124 -11.078 -10.309 1.00 51.52 C ATOM 1694 CG GLU A 107 4.383 -12.609 -10.178 1.00 25.11 C ATOM 1695 CD GLU A 107 3.110 -13.477 -10.108 1.00 34.30 C ATOM 1696 OE1 GLU A 107 2.471 -13.529 -9.032 1.00 42.32 O ATOM 1697 OE2 GLU A 107 2.732 -14.104 -11.127 1.00 2.31 O ATOM 1698 OXT GLU A 107 4.596 -11.948 -13.312 1.00 37.91 O ATOM 0 H GLU A 107 2.208 -12.199 -11.871 1.00 44.52 H new ATOM 0 HA GLU A 107 3.371 -9.485 -11.524 1.00 55.23 H new ATOM 0 HB2 GLU A 107 5.073 -10.563 -10.161 1.00 51.52 H new ATOM 0 HB3 GLU A 107 3.467 -10.777 -9.493 1.00 51.52 H new ATOM 0 HG2 GLU A 107 4.982 -12.936 -11.028 1.00 25.11 H new ATOM 0 HG3 GLU A 107 4.977 -12.787 -9.282 1.00 25.11 H new TER 1705 GLU A 107