USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 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 60 GLN : amide:sc= -0.938 K(o=-0.73,f=0.48) USER MOD Set 1.2: A 64 SER OG : rot -139:sc= 0.207 USER MOD Set 2.1: A 36 GLN : amide:sc= 0.161 K(o=0.51,f=-0.65) USER MOD Set 2.2: A 39 LYS NZ :NH3+ 168:sc= 0.345 (180deg=0) USER MOD Single : A 1 MET CE :methyl 144:sc= -0.308 (180deg=-1.19) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 4 HIS : no HD1:sc= -0.0343 X(o=-0.034,f=-0.041) USER MOD Single : A 5 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00503 X(o=-0.005,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 94:sc= 1.23 USER MOD Single : A 10 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.063) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00304 (180deg=-0.0877) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -116:sc= -1.76 (180deg=-4.94!) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= -0.0028 (180deg=-0.0642) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -71:sc= -0.104 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= 0.0178 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 85:sc= 0.198 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.101 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.601 -40.641 -22.577 1.00 0.00 N ATOM 2 CA MET A 1 6.480 -40.175 -23.978 1.00 52.33 C ATOM 3 C MET A 1 7.531 -39.124 -24.291 1.00 70.32 C ATOM 4 O MET A 1 7.647 -38.120 -23.584 1.00 35.00 O ATOM 5 CB MET A 1 5.096 -39.575 -24.244 1.00 63.14 C ATOM 6 CG MET A 1 3.970 -40.589 -24.315 1.00 4.40 C ATOM 7 SD MET A 1 2.395 -39.831 -24.770 1.00 52.40 S ATOM 8 CE MET A 1 2.799 -39.153 -26.382 1.00 32.33 C ATOM 0 H1 MET A 1 5.873 -41.359 -22.386 1.00 0.00 H new ATOM 0 H2 MET A 1 7.543 -41.056 -22.429 1.00 0.00 H new ATOM 0 H3 MET A 1 6.472 -39.836 -21.931 1.00 0.00 H new ATOM 0 HA MET A 1 6.627 -41.045 -24.618 1.00 52.33 H new ATOM 0 HB2 MET A 1 4.870 -38.855 -23.458 1.00 63.14 H new ATOM 0 HB3 MET A 1 5.129 -39.022 -25.183 1.00 63.14 H new ATOM 0 HG2 MET A 1 4.223 -41.360 -25.042 1.00 4.40 H new ATOM 0 HG3 MET A 1 3.867 -41.083 -23.349 1.00 4.40 H new ATOM 0 HE1 MET A 1 1.934 -39.237 -27.039 1.00 32.33 H new ATOM 0 HE2 MET A 1 3.074 -38.104 -26.277 1.00 32.33 H new ATOM 0 HE3 MET A 1 3.635 -39.706 -26.810 1.00 32.33 H new ATOM 20 N GLY A 2 8.291 -39.360 -25.349 1.00 14.23 N ATOM 21 CA GLY A 2 9.233 -38.370 -25.824 1.00 2.05 C ATOM 22 C GLY A 2 10.573 -38.424 -25.118 1.00 11.32 C ATOM 23 O GLY A 2 10.694 -38.034 -23.956 1.00 34.43 O ATOM 0 H GLY A 2 8.271 -40.225 -25.890 1.00 14.23 H new ATOM 0 HA2 GLY A 2 9.389 -38.512 -26.894 1.00 2.05 H new ATOM 0 HA3 GLY A 2 8.802 -37.377 -25.693 1.00 2.05 H new ATOM 27 N HIS A 3 11.581 -38.916 -25.818 1.00 43.30 N ATOM 28 CA HIS A 3 12.948 -38.849 -25.326 1.00 12.25 C ATOM 29 C HIS A 3 13.536 -37.493 -25.683 1.00 12.04 C ATOM 30 O HIS A 3 14.285 -37.360 -26.651 1.00 13.42 O ATOM 31 CB HIS A 3 13.805 -39.975 -25.916 1.00 33.54 C ATOM 32 CG HIS A 3 13.537 -41.322 -25.314 1.00 52.23 C ATOM 33 ND1 HIS A 3 14.528 -42.098 -24.758 1.00 24.12 N ATOM 34 CD2 HIS A 3 12.392 -42.033 -25.191 1.00 54.24 C ATOM 35 CE1 HIS A 3 14.006 -43.226 -24.316 1.00 43.43 C ATOM 36 NE2 HIS A 3 12.710 -43.214 -24.566 1.00 53.22 N ATOM 0 H HIS A 3 11.480 -39.366 -26.728 1.00 43.30 H new ATOM 0 HA HIS A 3 12.941 -38.975 -24.243 1.00 12.25 H new ATOM 0 HB2 HIS A 3 13.630 -40.027 -26.991 1.00 33.54 H new ATOM 0 HB3 HIS A 3 14.858 -39.728 -25.776 1.00 33.54 H new ATOM 0 HD2 HIS A 3 11.410 -41.728 -25.523 1.00 54.24 H new ATOM 0 HE1 HIS A 3 14.548 -44.025 -23.831 1.00 43.43 H new ATOM 0 HE2 HIS A 3 12.053 -43.959 -24.333 1.00 53.22 H new ATOM 45 N HIS A 4 13.161 -36.481 -24.915 1.00 73.04 N ATOM 46 CA HIS A 4 13.526 -35.109 -25.238 1.00 0.54 C ATOM 47 C HIS A 4 14.924 -34.760 -24.740 1.00 54.30 C ATOM 48 O HIS A 4 15.324 -35.147 -23.638 1.00 63.33 O ATOM 49 CB HIS A 4 12.486 -34.118 -24.680 1.00 41.03 C ATOM 50 CG HIS A 4 12.336 -34.125 -23.184 1.00 12.35 C ATOM 51 ND1 HIS A 4 11.331 -34.803 -22.532 1.00 74.05 N ATOM 52 CD2 HIS A 4 13.056 -33.510 -22.215 1.00 54.44 C ATOM 53 CE1 HIS A 4 11.441 -34.608 -21.231 1.00 73.11 C ATOM 54 NE2 HIS A 4 12.480 -33.826 -21.011 1.00 71.30 N ATOM 0 H HIS A 4 12.605 -36.583 -24.066 1.00 73.04 H new ATOM 0 HA HIS A 4 13.536 -35.025 -26.325 1.00 0.54 H new ATOM 0 HB2 HIS A 4 12.759 -33.112 -24.997 1.00 41.03 H new ATOM 0 HB3 HIS A 4 11.518 -34.341 -25.128 1.00 41.03 H new ATOM 0 HD2 HIS A 4 13.924 -32.885 -22.363 1.00 54.44 H new ATOM 0 HE1 HIS A 4 10.790 -35.020 -20.474 1.00 73.11 H new ATOM 0 HE2 HIS A 4 12.802 -33.509 -20.097 1.00 71.30 H new ATOM 63 N HIS A 5 15.663 -34.051 -25.581 1.00 1.43 N ATOM 64 CA HIS A 5 16.968 -33.513 -25.213 1.00 34.12 C ATOM 65 C HIS A 5 17.268 -32.289 -26.060 1.00 31.12 C ATOM 66 O HIS A 5 17.523 -32.396 -27.260 1.00 51.55 O ATOM 67 CB HIS A 5 18.084 -34.552 -25.394 1.00 23.50 C ATOM 68 CG HIS A 5 19.427 -34.094 -24.893 1.00 12.45 C ATOM 69 ND1 HIS A 5 19.989 -34.551 -23.722 1.00 52.02 N ATOM 70 CD2 HIS A 5 20.321 -33.215 -25.413 1.00 42.03 C ATOM 71 CE1 HIS A 5 21.162 -33.977 -23.542 1.00 74.03 C ATOM 72 NE2 HIS A 5 21.389 -33.162 -24.551 1.00 41.13 N ATOM 0 H HIS A 5 15.377 -33.832 -26.535 1.00 1.43 H new ATOM 0 HA HIS A 5 16.934 -33.241 -24.158 1.00 34.12 H new ATOM 0 HB2 HIS A 5 17.804 -35.467 -24.871 1.00 23.50 H new ATOM 0 HB3 HIS A 5 18.167 -34.802 -26.452 1.00 23.50 H new ATOM 0 HD2 HIS A 5 20.213 -32.660 -26.333 1.00 42.03 H new ATOM 0 HE1 HIS A 5 21.826 -34.147 -22.707 1.00 74.03 H new ATOM 0 HE2 HIS A 5 22.222 -32.586 -24.673 1.00 41.13 H new ATOM 81 N HIS A 6 17.229 -31.129 -25.436 1.00 40.35 N ATOM 82 CA HIS A 6 17.520 -29.885 -26.125 1.00 14.42 C ATOM 83 C HIS A 6 18.405 -29.006 -25.264 1.00 25.35 C ATOM 84 O HIS A 6 18.435 -29.147 -24.040 1.00 44.34 O ATOM 85 CB HIS A 6 16.235 -29.146 -26.497 1.00 11.44 C ATOM 86 CG HIS A 6 15.558 -29.700 -27.717 1.00 22.23 C ATOM 87 ND1 HIS A 6 14.266 -30.185 -27.718 1.00 14.11 N ATOM 88 CD2 HIS A 6 16.004 -29.831 -28.990 1.00 20.11 C ATOM 89 CE1 HIS A 6 13.952 -30.591 -28.935 1.00 25.54 C ATOM 90 NE2 HIS A 6 14.986 -30.384 -29.724 1.00 21.15 N ATOM 0 H HIS A 6 16.998 -31.020 -24.449 1.00 40.35 H new ATOM 0 HA HIS A 6 18.048 -30.123 -27.048 1.00 14.42 H new ATOM 0 HB2 HIS A 6 15.543 -29.190 -25.656 1.00 11.44 H new ATOM 0 HB3 HIS A 6 16.466 -28.094 -26.665 1.00 11.44 H new ATOM 0 HD2 HIS A 6 16.980 -29.552 -29.358 1.00 20.11 H new ATOM 0 HE1 HIS A 6 13.007 -31.020 -29.233 1.00 25.54 H new ATOM 0 HE2 HIS A 6 15.024 -30.600 -30.720 1.00 21.15 H new ATOM 99 N HIS A 7 19.131 -28.106 -25.905 1.00 51.24 N ATOM 100 CA HIS A 7 20.037 -27.216 -25.195 1.00 30.53 C ATOM 101 C HIS A 7 19.244 -26.117 -24.504 1.00 24.25 C ATOM 102 O HIS A 7 19.498 -25.787 -23.348 1.00 34.12 O ATOM 103 CB HIS A 7 21.072 -26.610 -26.152 1.00 13.14 C ATOM 104 CG HIS A 7 21.943 -27.626 -26.831 1.00 43.22 C ATOM 105 ND1 HIS A 7 23.206 -27.956 -26.387 1.00 54.42 N ATOM 106 CD2 HIS A 7 21.730 -28.376 -27.936 1.00 31.33 C ATOM 107 CE1 HIS A 7 23.730 -28.861 -27.191 1.00 73.50 C ATOM 108 NE2 HIS A 7 22.854 -29.135 -28.139 1.00 31.14 N ATOM 0 H HIS A 7 19.112 -27.971 -26.916 1.00 51.24 H new ATOM 0 HA HIS A 7 20.574 -27.794 -24.443 1.00 30.53 H new ATOM 0 HB2 HIS A 7 20.552 -26.027 -26.912 1.00 13.14 H new ATOM 0 HB3 HIS A 7 21.704 -25.918 -25.596 1.00 13.14 H new ATOM 0 HD2 HIS A 7 20.839 -28.377 -28.546 1.00 31.33 H new ATOM 0 HE1 HIS A 7 24.710 -29.303 -27.090 1.00 73.50 H new ATOM 0 HE2 HIS A 7 22.991 -29.802 -28.898 1.00 31.14 H new ATOM 117 N HIS A 8 18.258 -25.575 -25.206 1.00 10.33 N ATOM 118 CA HIS A 8 17.413 -24.520 -24.656 1.00 65.14 C ATOM 119 C HIS A 8 16.219 -25.093 -23.903 1.00 41.11 C ATOM 120 O HIS A 8 15.086 -24.651 -24.087 1.00 72.10 O ATOM 121 CB HIS A 8 16.924 -23.583 -25.763 1.00 43.14 C ATOM 122 CG HIS A 8 17.857 -22.449 -26.049 1.00 63.45 C ATOM 123 ND1 HIS A 8 17.976 -21.353 -25.223 1.00 42.44 N ATOM 124 CD2 HIS A 8 18.715 -22.241 -27.070 1.00 33.31 C ATOM 125 CE1 HIS A 8 18.865 -20.522 -25.725 1.00 3.55 C ATOM 126 NE2 HIS A 8 19.331 -21.036 -26.846 1.00 42.25 N ATOM 0 H HIS A 8 18.022 -25.848 -26.160 1.00 10.33 H new ATOM 0 HA HIS A 8 18.022 -23.954 -23.952 1.00 65.14 H new ATOM 0 HB2 HIS A 8 16.777 -24.160 -26.676 1.00 43.14 H new ATOM 0 HB3 HIS A 8 15.952 -23.179 -25.481 1.00 43.14 H new ATOM 0 HD2 HIS A 8 18.885 -22.901 -27.908 1.00 33.31 H new ATOM 0 HE1 HIS A 8 19.162 -19.578 -25.292 1.00 3.55 H new ATOM 0 HE2 HIS A 8 20.034 -20.608 -27.448 1.00 42.25 H new ATOM 135 N SER A 9 16.477 -26.066 -23.044 1.00 54.42 N ATOM 136 CA SER A 9 15.433 -26.613 -22.194 1.00 2.14 C ATOM 137 C SER A 9 15.154 -25.654 -21.038 1.00 71.22 C ATOM 138 O SER A 9 15.673 -25.819 -19.932 1.00 61.23 O ATOM 139 CB SER A 9 15.830 -27.994 -21.670 1.00 1.11 C ATOM 140 OG SER A 9 16.104 -28.883 -22.741 1.00 1.15 O ATOM 0 H SER A 9 17.395 -26.491 -22.917 1.00 54.42 H new ATOM 0 HA SER A 9 14.523 -26.729 -22.783 1.00 2.14 H new ATOM 0 HB2 SER A 9 16.709 -27.906 -21.031 1.00 1.11 H new ATOM 0 HB3 SER A 9 15.027 -28.398 -21.053 1.00 1.11 H new ATOM 0 HG SER A 9 17.065 -28.876 -22.934 1.00 1.15 H new ATOM 146 N HIS A 10 14.366 -24.625 -21.328 1.00 21.13 N ATOM 147 CA HIS A 10 14.049 -23.588 -20.350 1.00 23.52 C ATOM 148 C HIS A 10 13.118 -24.116 -19.265 1.00 63.24 C ATOM 149 O HIS A 10 12.519 -25.181 -19.403 1.00 34.12 O ATOM 150 CB HIS A 10 13.418 -22.368 -21.040 1.00 1.02 C ATOM 151 CG HIS A 10 12.158 -22.669 -21.801 1.00 42.01 C ATOM 152 ND1 HIS A 10 12.104 -22.706 -23.177 1.00 23.13 N ATOM 153 CD2 HIS A 10 10.902 -22.943 -21.372 1.00 35.23 C ATOM 154 CE1 HIS A 10 10.874 -22.990 -23.560 1.00 11.42 C ATOM 155 NE2 HIS A 10 10.126 -23.140 -22.484 1.00 53.23 N ATOM 0 H HIS A 10 13.931 -24.485 -22.240 1.00 21.13 H new ATOM 0 HA HIS A 10 14.983 -23.283 -19.878 1.00 23.52 H new ATOM 0 HB2 HIS A 10 13.201 -21.611 -20.286 1.00 1.02 H new ATOM 0 HB3 HIS A 10 14.147 -21.935 -21.725 1.00 1.02 H new ATOM 0 HD2 HIS A 10 10.574 -22.996 -20.344 1.00 35.23 H new ATOM 0 HE1 HIS A 10 10.537 -23.084 -24.582 1.00 11.42 H new ATOM 0 HE2 HIS A 10 9.131 -23.366 -22.480 1.00 53.23 H new ATOM 164 N MET A 11 12.985 -23.347 -18.198 1.00 10.12 N ATOM 165 CA MET A 11 12.174 -23.746 -17.064 1.00 64.31 C ATOM 166 C MET A 11 10.708 -23.419 -17.321 1.00 62.04 C ATOM 167 O MET A 11 10.320 -22.249 -17.359 1.00 32.44 O ATOM 168 CB MET A 11 12.652 -23.030 -15.798 1.00 14.43 C ATOM 169 CG MET A 11 14.141 -23.180 -15.533 1.00 30.11 C ATOM 170 SD MET A 11 14.708 -22.183 -14.143 1.00 61.14 S ATOM 171 CE MET A 11 16.472 -22.489 -14.217 1.00 5.24 C ATOM 0 H MET A 11 13.433 -22.436 -18.095 1.00 10.12 H new ATOM 0 HA MET A 11 12.276 -24.822 -16.925 1.00 64.31 H new ATOM 0 HB2 MET A 11 12.412 -21.970 -15.879 1.00 14.43 H new ATOM 0 HB3 MET A 11 12.099 -23.418 -14.942 1.00 14.43 H new ATOM 0 HG2 MET A 11 14.367 -24.228 -15.338 1.00 30.11 H new ATOM 0 HG3 MET A 11 14.695 -22.896 -16.428 1.00 30.11 H new ATOM 0 HE1 MET A 11 16.970 -21.940 -13.418 1.00 5.24 H new ATOM 0 HE2 MET A 11 16.662 -23.556 -14.098 1.00 5.24 H new ATOM 0 HE3 MET A 11 16.859 -22.158 -15.181 1.00 5.24 H new ATOM 181 N SER A 12 9.905 -24.447 -17.534 1.00 21.30 N ATOM 182 CA SER A 12 8.476 -24.262 -17.714 1.00 63.41 C ATOM 183 C SER A 12 7.802 -24.024 -16.365 1.00 70.25 C ATOM 184 O SER A 12 7.448 -24.964 -15.651 1.00 1.22 O ATOM 185 CB SER A 12 7.872 -25.476 -18.422 1.00 51.24 C ATOM 186 OG SER A 12 8.504 -25.690 -19.675 1.00 35.25 O ATOM 0 H SER A 12 10.218 -25.417 -17.586 1.00 21.30 H new ATOM 0 HA SER A 12 8.307 -23.385 -18.338 1.00 63.41 H new ATOM 0 HB2 SER A 12 7.984 -26.361 -17.796 1.00 51.24 H new ATOM 0 HB3 SER A 12 6.803 -25.323 -18.569 1.00 51.24 H new ATOM 0 HG SER A 12 8.106 -26.471 -20.113 1.00 35.25 H new ATOM 192 N THR A 13 7.679 -22.758 -16.006 1.00 34.14 N ATOM 193 CA THR A 13 7.085 -22.361 -14.742 1.00 44.23 C ATOM 194 C THR A 13 6.137 -21.185 -14.974 1.00 50.04 C ATOM 195 O THR A 13 6.442 -20.300 -15.775 1.00 50.53 O ATOM 196 CB THR A 13 8.189 -21.967 -13.732 1.00 3.13 C ATOM 197 OG1 THR A 13 9.152 -23.025 -13.632 1.00 32.44 O ATOM 198 CG2 THR A 13 7.613 -21.677 -12.352 1.00 44.10 C ATOM 0 H THR A 13 7.988 -21.976 -16.583 1.00 34.14 H new ATOM 0 HA THR A 13 6.524 -23.199 -14.329 1.00 44.23 H new ATOM 0 HB THR A 13 8.665 -21.058 -14.098 1.00 3.13 H new ATOM 0 HG1 THR A 13 9.851 -22.772 -12.993 1.00 32.44 H new ATOM 0 HG21 THR A 13 8.419 -21.404 -11.671 1.00 44.10 H new ATOM 0 HG22 THR A 13 6.902 -20.854 -12.420 1.00 44.10 H new ATOM 0 HG23 THR A 13 7.105 -22.565 -11.976 1.00 44.10 H new ATOM 206 N PRO A 14 4.955 -21.186 -14.324 1.00 60.43 N ATOM 207 CA PRO A 14 3.989 -20.085 -14.427 1.00 52.12 C ATOM 208 C PRO A 14 4.636 -18.725 -14.181 1.00 31.25 C ATOM 209 O PRO A 14 5.397 -18.550 -13.226 1.00 53.20 O ATOM 210 CB PRO A 14 2.975 -20.403 -13.325 1.00 3.22 C ATOM 211 CG PRO A 14 3.031 -21.883 -13.181 1.00 13.11 C ATOM 212 CD PRO A 14 4.461 -22.269 -13.448 1.00 23.12 C ATOM 0 HA PRO A 14 3.550 -20.016 -15.422 1.00 52.12 H new ATOM 0 HB2 PRO A 14 3.234 -19.904 -12.391 1.00 3.22 H new ATOM 0 HB3 PRO A 14 1.974 -20.069 -13.598 1.00 3.22 H new ATOM 0 HG2 PRO A 14 2.724 -22.190 -12.181 1.00 13.11 H new ATOM 0 HG3 PRO A 14 2.357 -22.370 -13.886 1.00 13.11 H new ATOM 0 HD2 PRO A 14 5.038 -22.333 -12.525 1.00 23.12 H new ATOM 0 HD3 PRO A 14 4.530 -23.242 -13.935 1.00 23.12 H new ATOM 220 N LEU A 15 4.339 -17.767 -15.046 1.00 74.55 N ATOM 221 CA LEU A 15 4.939 -16.446 -14.961 1.00 12.34 C ATOM 222 C LEU A 15 3.892 -15.408 -14.577 1.00 41.31 C ATOM 223 O LEU A 15 2.869 -15.264 -15.252 1.00 11.55 O ATOM 224 CB LEU A 15 5.592 -16.079 -16.298 1.00 40.45 C ATOM 225 CG LEU A 15 6.297 -14.723 -16.331 1.00 70.31 C ATOM 226 CD1 LEU A 15 7.430 -14.675 -15.318 1.00 31.11 C ATOM 227 CD2 LEU A 15 6.817 -14.439 -17.726 1.00 73.45 C ATOM 0 H LEU A 15 3.683 -17.882 -15.818 1.00 74.55 H new ATOM 0 HA LEU A 15 5.707 -16.460 -14.188 1.00 12.34 H new ATOM 0 HB2 LEU A 15 6.316 -16.853 -16.554 1.00 40.45 H new ATOM 0 HB3 LEU A 15 4.826 -16.090 -17.073 1.00 40.45 H new ATOM 0 HG LEU A 15 5.574 -13.953 -16.063 1.00 70.31 H new ATOM 0 HD11 LEU A 15 7.916 -13.700 -15.361 1.00 31.11 H new ATOM 0 HD12 LEU A 15 7.030 -14.837 -14.317 1.00 31.11 H new ATOM 0 HD13 LEU A 15 8.157 -15.453 -15.549 1.00 31.11 H new ATOM 0 HD21 LEU A 15 7.317 -13.471 -17.738 1.00 73.45 H new ATOM 0 HD22 LEU A 15 7.524 -15.216 -18.016 1.00 73.45 H new ATOM 0 HD23 LEU A 15 5.984 -14.426 -18.429 1.00 73.45 H new ATOM 239 N THR A 16 4.145 -14.702 -13.489 1.00 72.01 N ATOM 240 CA THR A 16 3.240 -13.668 -13.022 1.00 60.35 C ATOM 241 C THR A 16 3.907 -12.296 -13.095 1.00 71.40 C ATOM 242 O THR A 16 5.129 -12.176 -12.975 1.00 45.32 O ATOM 243 CB THR A 16 2.761 -13.943 -11.573 1.00 64.23 C ATOM 244 OG1 THR A 16 1.846 -12.924 -11.148 1.00 22.44 O ATOM 245 CG2 THR A 16 3.934 -14.005 -10.603 1.00 41.23 C ATOM 0 H THR A 16 4.975 -14.828 -12.910 1.00 72.01 H new ATOM 0 HA THR A 16 2.369 -13.678 -13.677 1.00 60.35 H new ATOM 0 HB THR A 16 2.258 -14.910 -11.572 1.00 64.23 H new ATOM 0 HG1 THR A 16 1.550 -13.111 -10.233 1.00 22.44 H new ATOM 0 HG21 THR A 16 3.564 -14.199 -9.596 1.00 41.23 H new ATOM 0 HG22 THR A 16 4.611 -14.806 -10.901 1.00 41.23 H new ATOM 0 HG23 THR A 16 4.468 -13.055 -10.616 1.00 41.23 H new ATOM 253 N GLY A 17 3.103 -11.267 -13.311 1.00 31.31 N ATOM 254 CA GLY A 17 3.613 -9.914 -13.320 1.00 2.22 C ATOM 255 C GLY A 17 3.199 -9.163 -12.076 1.00 62.41 C ATOM 256 O GLY A 17 3.398 -7.955 -11.968 1.00 14.32 O ATOM 0 H GLY A 17 2.100 -11.347 -13.481 1.00 31.31 H new ATOM 0 HA2 GLY A 17 4.701 -9.933 -13.391 1.00 2.22 H new ATOM 0 HA3 GLY A 17 3.246 -9.390 -14.203 1.00 2.22 H new ATOM 260 N LYS A 18 2.614 -9.891 -11.135 1.00 34.23 N ATOM 261 CA LYS A 18 2.149 -9.307 -9.885 1.00 74.04 C ATOM 262 C LYS A 18 3.133 -9.622 -8.766 1.00 30.40 C ATOM 263 O LYS A 18 3.317 -10.788 -8.411 1.00 72.11 O ATOM 264 CB LYS A 18 0.763 -9.853 -9.522 1.00 43.10 C ATOM 265 CG LYS A 18 -0.225 -9.848 -10.676 1.00 41.10 C ATOM 266 CD LYS A 18 -0.568 -8.439 -11.135 1.00 45.42 C ATOM 267 CE LYS A 18 -1.384 -8.464 -12.419 1.00 54.12 C ATOM 268 NZ LYS A 18 -2.633 -9.263 -12.282 1.00 35.32 N ATOM 0 H LYS A 18 2.449 -10.894 -11.215 1.00 34.23 H new ATOM 0 HA LYS A 18 2.080 -8.227 -10.012 1.00 74.04 H new ATOM 0 HB2 LYS A 18 0.871 -10.873 -9.154 1.00 43.10 H new ATOM 0 HB3 LYS A 18 0.353 -9.261 -8.704 1.00 43.10 H new ATOM 0 HG2 LYS A 18 0.193 -10.409 -11.512 1.00 41.10 H new ATOM 0 HG3 LYS A 18 -1.137 -10.361 -10.373 1.00 41.10 H new ATOM 0 HD2 LYS A 18 -1.129 -7.925 -10.354 1.00 45.42 H new ATOM 0 HD3 LYS A 18 0.349 -7.872 -11.294 1.00 45.42 H new ATOM 0 HE2 LYS A 18 -1.638 -7.443 -12.705 1.00 54.12 H new ATOM 0 HE3 LYS A 18 -0.777 -8.878 -13.224 1.00 54.12 H new ATOM 0 HZ1 LYS A 18 -3.226 -9.127 -13.125 1.00 35.32 H new ATOM 0 HZ2 LYS A 18 -2.392 -10.270 -12.187 1.00 35.32 H new ATOM 0 HZ3 LYS A 18 -3.154 -8.951 -11.438 1.00 35.32 H new ATOM 282 N PRO A 19 3.796 -8.592 -8.215 1.00 65.41 N ATOM 283 CA PRO A 19 4.719 -8.760 -7.089 1.00 34.21 C ATOM 284 C PRO A 19 4.016 -9.338 -5.868 1.00 32.12 C ATOM 285 O PRO A 19 2.876 -8.975 -5.564 1.00 5.42 O ATOM 286 CB PRO A 19 5.218 -7.336 -6.805 1.00 21.24 C ATOM 287 CG PRO A 19 4.235 -6.433 -7.464 1.00 13.45 C ATOM 288 CD PRO A 19 3.702 -7.190 -8.645 1.00 20.10 C ATOM 0 HA PRO A 19 5.525 -9.457 -7.319 1.00 34.21 H new ATOM 0 HB2 PRO A 19 5.270 -7.145 -5.733 1.00 21.24 H new ATOM 0 HB3 PRO A 19 6.221 -7.184 -7.205 1.00 21.24 H new ATOM 0 HG2 PRO A 19 3.431 -6.165 -6.778 1.00 13.45 H new ATOM 0 HG3 PRO A 19 4.709 -5.503 -7.779 1.00 13.45 H new ATOM 0 HD2 PRO A 19 2.675 -6.907 -8.874 1.00 20.10 H new ATOM 0 HD3 PRO A 19 4.292 -7.004 -9.542 1.00 20.10 H new ATOM 296 N GLY A 20 4.696 -10.235 -5.171 1.00 43.34 N ATOM 297 CA GLY A 20 4.096 -10.895 -4.032 1.00 11.13 C ATOM 298 C GLY A 20 4.402 -10.192 -2.728 1.00 62.20 C ATOM 299 O GLY A 20 3.494 -9.851 -1.977 1.00 10.32 O ATOM 0 H GLY A 20 5.655 -10.518 -5.375 1.00 43.34 H new ATOM 0 HA2 GLY A 20 3.016 -10.942 -4.171 1.00 11.13 H new ATOM 0 HA3 GLY A 20 4.456 -11.923 -3.980 1.00 11.13 H new ATOM 303 N ALA A 21 5.679 -9.939 -2.480 1.00 13.01 N ATOM 304 CA ALA A 21 6.113 -9.365 -1.212 1.00 72.40 C ATOM 305 C ALA A 21 6.037 -7.838 -1.220 1.00 41.21 C ATOM 306 O ALA A 21 5.862 -7.216 -2.269 1.00 31.33 O ATOM 307 CB ALA A 21 7.528 -9.821 -0.888 1.00 73.43 C ATOM 0 H ALA A 21 6.435 -10.122 -3.140 1.00 13.01 H new ATOM 0 HA ALA A 21 5.433 -9.722 -0.439 1.00 72.40 H new ATOM 0 HB1 ALA A 21 7.842 -9.386 0.061 1.00 73.43 H new ATOM 0 HB2 ALA A 21 7.552 -10.908 -0.815 1.00 73.43 H new ATOM 0 HB3 ALA A 21 8.205 -9.495 -1.678 1.00 73.43 H new ATOM 313 N LEU A 22 6.156 -7.247 -0.038 1.00 1.20 N ATOM 314 CA LEU A 22 6.138 -5.797 0.120 1.00 64.52 C ATOM 315 C LEU A 22 7.494 -5.295 0.590 1.00 4.13 C ATOM 316 O LEU A 22 8.256 -6.043 1.202 1.00 64.55 O ATOM 317 CB LEU A 22 5.094 -5.380 1.158 1.00 62.12 C ATOM 318 CG LEU A 22 3.640 -5.642 0.793 1.00 32.13 C ATOM 319 CD1 LEU A 22 2.751 -5.330 1.981 1.00 25.05 C ATOM 320 CD2 LEU A 22 3.226 -4.807 -0.406 1.00 3.10 C ATOM 0 H LEU A 22 6.268 -7.758 0.838 1.00 1.20 H new ATOM 0 HA LEU A 22 5.893 -5.365 -0.850 1.00 64.52 H new ATOM 0 HB2 LEU A 22 5.312 -5.900 2.091 1.00 62.12 H new ATOM 0 HB3 LEU A 22 5.211 -4.314 1.353 1.00 62.12 H new ATOM 0 HG LEU A 22 3.531 -6.694 0.528 1.00 32.13 H new ATOM 0 HD11 LEU A 22 1.711 -5.519 1.716 1.00 25.05 H new ATOM 0 HD12 LEU A 22 3.032 -5.964 2.822 1.00 25.05 H new ATOM 0 HD13 LEU A 22 2.870 -4.283 2.260 1.00 25.05 H new ATOM 0 HD21 LEU A 22 2.183 -5.011 -0.649 1.00 3.10 H new ATOM 0 HD22 LEU A 22 3.344 -3.749 -0.171 1.00 3.10 H new ATOM 0 HD23 LEU A 22 3.854 -5.061 -1.260 1.00 3.10 H new ATOM 332 N PRO A 23 7.825 -4.027 0.301 1.00 60.51 N ATOM 333 CA PRO A 23 8.989 -3.377 0.895 1.00 15.03 C ATOM 334 C PRO A 23 8.845 -3.286 2.412 1.00 34.12 C ATOM 335 O PRO A 23 7.749 -3.046 2.925 1.00 23.30 O ATOM 336 CB PRO A 23 9.007 -1.979 0.263 1.00 52.54 C ATOM 337 CG PRO A 23 7.642 -1.780 -0.302 1.00 33.21 C ATOM 338 CD PRO A 23 7.114 -3.147 -0.637 1.00 23.40 C ATOM 0 HA PRO A 23 9.912 -3.928 0.712 1.00 15.03 H new ATOM 0 HB2 PRO A 23 9.240 -1.216 1.005 1.00 52.54 H new ATOM 0 HB3 PRO A 23 9.768 -1.910 -0.515 1.00 52.54 H new ATOM 0 HG2 PRO A 23 6.994 -1.280 0.417 1.00 33.21 H new ATOM 0 HG3 PRO A 23 7.678 -1.150 -1.191 1.00 33.21 H new ATOM 0 HD2 PRO A 23 6.034 -3.205 -0.502 1.00 23.40 H new ATOM 0 HD3 PRO A 23 7.320 -3.414 -1.673 1.00 23.40 H new ATOM 346 N ALA A 24 9.948 -3.494 3.120 1.00 72.33 N ATOM 347 CA ALA A 24 9.934 -3.503 4.580 1.00 54.02 C ATOM 348 C ALA A 24 9.510 -2.150 5.145 1.00 13.33 C ATOM 349 O ALA A 24 8.832 -2.075 6.173 1.00 50.40 O ATOM 350 CB ALA A 24 11.301 -3.898 5.117 1.00 54.24 C ATOM 0 H ALA A 24 10.866 -3.659 2.707 1.00 72.33 H new ATOM 0 HA ALA A 24 9.199 -4.241 4.902 1.00 54.02 H new ATOM 0 HB1 ALA A 24 11.277 -3.901 6.207 1.00 54.24 H new ATOM 0 HB2 ALA A 24 11.559 -4.894 4.757 1.00 54.24 H new ATOM 0 HB3 ALA A 24 12.048 -3.183 4.772 1.00 54.24 H new ATOM 356 N ASN A 25 9.917 -1.087 4.469 1.00 45.14 N ATOM 357 CA ASN A 25 9.562 0.261 4.887 1.00 73.11 C ATOM 358 C ASN A 25 8.432 0.809 4.032 1.00 41.33 C ATOM 359 O ASN A 25 8.659 1.294 2.923 1.00 13.23 O ATOM 360 CB ASN A 25 10.773 1.194 4.808 1.00 52.45 C ATOM 361 CG ASN A 25 11.855 0.833 5.804 1.00 60.43 C ATOM 362 OD1 ASN A 25 12.744 0.030 5.513 1.00 53.21 O ATOM 363 ND2 ASN A 25 11.784 1.414 6.992 1.00 41.25 N ATOM 0 H ASN A 25 10.493 -1.131 3.629 1.00 45.14 H new ATOM 0 HA ASN A 25 9.227 0.211 5.923 1.00 73.11 H new ATOM 0 HB2 ASN A 25 11.187 1.161 3.800 1.00 52.45 H new ATOM 0 HB3 ASN A 25 10.449 2.219 4.986 1.00 52.45 H new ATOM 0 HD21 ASN A 25 12.481 1.202 7.706 1.00 41.25 H new ATOM 0 HD22 ASN A 25 11.032 2.073 7.193 1.00 41.25 H new ATOM 370 N LEU A 26 7.217 0.713 4.542 1.00 12.15 N ATOM 371 CA LEU A 26 6.057 1.263 3.865 1.00 45.21 C ATOM 372 C LEU A 26 5.722 2.634 4.429 1.00 71.23 C ATOM 373 O LEU A 26 5.184 3.490 3.730 1.00 72.21 O ATOM 374 CB LEU A 26 4.859 0.326 4.011 1.00 70.53 C ATOM 375 CG LEU A 26 4.965 -0.988 3.235 1.00 22.44 C ATOM 376 CD1 LEU A 26 3.784 -1.892 3.546 1.00 24.03 C ATOM 377 CD2 LEU A 26 5.034 -0.713 1.744 1.00 12.50 C ATOM 0 H LEU A 26 7.008 0.256 5.429 1.00 12.15 H new ATOM 0 HA LEU A 26 6.290 1.365 2.805 1.00 45.21 H new ATOM 0 HB2 LEU A 26 4.724 0.096 5.068 1.00 70.53 H new ATOM 0 HB3 LEU A 26 3.963 0.853 3.682 1.00 70.53 H new ATOM 0 HG LEU A 26 5.879 -1.496 3.543 1.00 22.44 H new ATOM 0 HD11 LEU A 26 3.879 -2.821 2.984 1.00 24.03 H new ATOM 0 HD12 LEU A 26 3.767 -2.114 4.613 1.00 24.03 H new ATOM 0 HD13 LEU A 26 2.858 -1.391 3.264 1.00 24.03 H new ATOM 0 HD21 LEU A 26 5.109 -1.656 1.203 1.00 12.50 H new ATOM 0 HD22 LEU A 26 4.134 -0.185 1.429 1.00 12.50 H new ATOM 0 HD23 LEU A 26 5.909 -0.100 1.527 1.00 12.50 H new ATOM 389 N ASP A 27 6.066 2.839 5.697 1.00 50.11 N ATOM 390 CA ASP A 27 5.829 4.116 6.363 1.00 42.20 C ATOM 391 C ASP A 27 6.768 5.183 5.823 1.00 61.00 C ATOM 392 O ASP A 27 6.521 6.379 5.982 1.00 13.33 O ATOM 393 CB ASP A 27 6.017 3.990 7.877 1.00 31.12 C ATOM 394 CG ASP A 27 4.947 3.150 8.543 1.00 53.13 C ATOM 395 OD1 ASP A 27 3.881 3.706 8.894 1.00 61.52 O ATOM 396 OD2 ASP A 27 5.171 1.937 8.739 1.00 62.21 O ATOM 0 H ASP A 27 6.511 2.135 6.286 1.00 50.11 H new ATOM 0 HA ASP A 27 4.798 4.408 6.160 1.00 42.20 H new ATOM 0 HB2 ASP A 27 6.994 3.551 8.080 1.00 31.12 H new ATOM 0 HB3 ASP A 27 6.017 4.986 8.321 1.00 31.12 H new ATOM 401 N ASP A 28 7.853 4.743 5.199 1.00 1.20 N ATOM 402 CA ASP A 28 8.822 5.662 4.613 1.00 70.20 C ATOM 403 C ASP A 28 8.412 6.033 3.190 1.00 11.11 C ATOM 404 O ASP A 28 8.868 7.039 2.637 1.00 64.31 O ATOM 405 CB ASP A 28 10.221 5.040 4.611 1.00 13.43 C ATOM 406 CG ASP A 28 11.293 6.029 4.195 1.00 52.54 C ATOM 407 OD1 ASP A 28 11.605 6.942 4.990 1.00 42.13 O ATOM 408 OD2 ASP A 28 11.820 5.909 3.069 1.00 15.23 O ATOM 0 H ASP A 28 8.085 3.756 5.085 1.00 1.20 H new ATOM 0 HA ASP A 28 8.844 6.567 5.220 1.00 70.20 H new ATOM 0 HB2 ASP A 28 10.448 4.660 5.607 1.00 13.43 H new ATOM 0 HB3 ASP A 28 10.235 4.186 3.933 1.00 13.43 H new ATOM 413 N MET A 29 7.535 5.221 2.610 1.00 13.44 N ATOM 414 CA MET A 29 7.036 5.470 1.264 1.00 33.42 C ATOM 415 C MET A 29 6.075 6.649 1.286 1.00 73.22 C ATOM 416 O MET A 29 5.460 6.937 2.312 1.00 62.04 O ATOM 417 CB MET A 29 6.321 4.232 0.707 1.00 12.01 C ATOM 418 CG MET A 29 7.192 2.987 0.653 1.00 42.55 C ATOM 419 SD MET A 29 8.560 3.120 -0.515 1.00 13.52 S ATOM 420 CE MET A 29 7.683 3.077 -2.077 1.00 23.21 C ATOM 0 H MET A 29 7.155 4.384 3.052 1.00 13.44 H new ATOM 0 HA MET A 29 7.884 5.698 0.618 1.00 33.42 H new ATOM 0 HB2 MET A 29 5.445 4.024 1.321 1.00 12.01 H new ATOM 0 HB3 MET A 29 5.960 4.454 -0.297 1.00 12.01 H new ATOM 0 HG2 MET A 29 7.591 2.788 1.648 1.00 42.55 H new ATOM 0 HG3 MET A 29 6.574 2.132 0.381 1.00 42.55 H new ATOM 0 HE1 MET A 29 7.971 2.184 -2.632 1.00 23.21 H new ATOM 0 HE2 MET A 29 6.609 3.058 -1.891 1.00 23.21 H new ATOM 0 HE3 MET A 29 7.935 3.963 -2.660 1.00 23.21 H new ATOM 430 N LYS A 30 5.956 7.336 0.167 1.00 31.24 N ATOM 431 CA LYS A 30 5.054 8.470 0.069 1.00 70.50 C ATOM 432 C LYS A 30 3.655 7.997 -0.278 1.00 10.04 C ATOM 433 O LYS A 30 3.464 6.838 -0.646 1.00 74.02 O ATOM 434 CB LYS A 30 5.543 9.443 -0.998 1.00 72.52 C ATOM 435 CG LYS A 30 6.957 9.933 -0.769 1.00 12.51 C ATOM 436 CD LYS A 30 7.384 10.891 -1.860 1.00 10.35 C ATOM 437 CE LYS A 30 8.763 11.462 -1.590 1.00 42.33 C ATOM 438 NZ LYS A 30 9.823 10.418 -1.610 1.00 72.01 N ATOM 0 H LYS A 30 6.472 7.130 -0.688 1.00 31.24 H new ATOM 0 HA LYS A 30 5.032 8.979 1.033 1.00 70.50 H new ATOM 0 HB2 LYS A 30 5.489 8.958 -1.973 1.00 72.52 H new ATOM 0 HB3 LYS A 30 4.871 10.301 -1.031 1.00 72.52 H new ATOM 0 HG2 LYS A 30 7.021 10.428 0.200 1.00 12.51 H new ATOM 0 HG3 LYS A 30 7.639 9.084 -0.739 1.00 12.51 H new ATOM 0 HD2 LYS A 30 7.385 10.374 -2.820 1.00 10.35 H new ATOM 0 HD3 LYS A 30 6.661 11.703 -1.936 1.00 10.35 H new ATOM 0 HE2 LYS A 30 8.991 12.222 -2.337 1.00 42.33 H new ATOM 0 HE3 LYS A 30 8.764 11.959 -0.620 1.00 42.33 H new ATOM 0 HZ1 LYS A 30 10.758 10.871 -1.556 1.00 72.01 H new ATOM 0 HZ2 LYS A 30 9.699 9.782 -0.797 1.00 72.01 H new ATOM 0 HZ3 LYS A 30 9.754 9.870 -2.491 1.00 72.01 H new ATOM 452 N VAL A 31 2.688 8.896 -0.184 1.00 72.31 N ATOM 453 CA VAL A 31 1.306 8.563 -0.507 1.00 72.03 C ATOM 454 C VAL A 31 1.198 8.158 -1.974 1.00 32.55 C ATOM 455 O VAL A 31 0.532 7.180 -2.318 1.00 75.41 O ATOM 456 CB VAL A 31 0.357 9.746 -0.222 1.00 60.43 C ATOM 457 CG1 VAL A 31 -1.087 9.373 -0.526 1.00 32.14 C ATOM 458 CG2 VAL A 31 0.497 10.203 1.222 1.00 25.21 C ATOM 0 H VAL A 31 2.832 9.861 0.113 1.00 72.31 H new ATOM 0 HA VAL A 31 1.006 7.729 0.128 1.00 72.03 H new ATOM 0 HB VAL A 31 0.637 10.571 -0.877 1.00 60.43 H new ATOM 0 HG11 VAL A 31 -1.735 10.224 -0.317 1.00 32.14 H new ATOM 0 HG12 VAL A 31 -1.178 9.098 -1.577 1.00 32.14 H new ATOM 0 HG13 VAL A 31 -1.384 8.529 0.097 1.00 32.14 H new ATOM 0 HG21 VAL A 31 -0.179 11.038 1.407 1.00 25.21 H new ATOM 0 HG22 VAL A 31 0.247 9.379 1.890 1.00 25.21 H new ATOM 0 HG23 VAL A 31 1.524 10.520 1.405 1.00 25.21 H new ATOM 468 N ALA A 32 1.891 8.900 -2.828 1.00 40.11 N ATOM 469 CA ALA A 32 1.936 8.602 -4.253 1.00 43.55 C ATOM 470 C ALA A 32 2.622 7.266 -4.500 1.00 52.20 C ATOM 471 O ALA A 32 2.206 6.494 -5.366 1.00 71.21 O ATOM 472 CB ALA A 32 2.655 9.713 -5.001 1.00 53.31 C ATOM 0 H ALA A 32 2.434 9.719 -2.555 1.00 40.11 H new ATOM 0 HA ALA A 32 0.913 8.536 -4.624 1.00 43.55 H new ATOM 0 HB1 ALA A 32 2.681 9.477 -6.065 1.00 53.31 H new ATOM 0 HB2 ALA A 32 2.126 10.654 -4.851 1.00 53.31 H new ATOM 0 HB3 ALA A 32 3.674 9.805 -4.624 1.00 53.31 H new ATOM 478 N GLU A 33 3.661 6.990 -3.718 1.00 12.23 N ATOM 479 CA GLU A 33 4.416 5.750 -3.854 1.00 53.00 C ATOM 480 C GLU A 33 3.561 4.551 -3.467 1.00 22.43 C ATOM 481 O GLU A 33 3.636 3.494 -4.091 1.00 51.32 O ATOM 482 CB GLU A 33 5.673 5.788 -2.990 1.00 31.14 C ATOM 483 CG GLU A 33 6.649 6.885 -3.377 1.00 32.25 C ATOM 484 CD GLU A 33 7.055 6.816 -4.834 1.00 31.43 C ATOM 485 OE1 GLU A 33 7.811 5.897 -5.205 1.00 70.01 O ATOM 486 OE2 GLU A 33 6.622 7.688 -5.616 1.00 34.21 O ATOM 0 H GLU A 33 4.000 7.610 -2.982 1.00 12.23 H new ATOM 0 HA GLU A 33 4.708 5.649 -4.899 1.00 53.00 H new ATOM 0 HB2 GLU A 33 5.383 5.924 -1.948 1.00 31.14 H new ATOM 0 HB3 GLU A 33 6.178 4.825 -3.057 1.00 31.14 H new ATOM 0 HG2 GLU A 33 6.197 7.856 -3.175 1.00 32.25 H new ATOM 0 HG3 GLU A 33 7.539 6.812 -2.752 1.00 32.25 H new ATOM 493 N LEU A 34 2.751 4.725 -2.435 1.00 52.24 N ATOM 494 CA LEU A 34 1.829 3.683 -2.003 1.00 72.33 C ATOM 495 C LEU A 34 0.813 3.404 -3.102 1.00 24.13 C ATOM 496 O LEU A 34 0.513 2.251 -3.412 1.00 23.31 O ATOM 497 CB LEU A 34 1.110 4.107 -0.721 1.00 22.14 C ATOM 498 CG LEU A 34 2.021 4.377 0.477 1.00 31.43 C ATOM 499 CD1 LEU A 34 1.219 4.983 1.617 1.00 33.34 C ATOM 500 CD2 LEU A 34 2.705 3.094 0.926 1.00 12.41 C ATOM 0 H LEU A 34 2.712 5.579 -1.879 1.00 52.24 H new ATOM 0 HA LEU A 34 2.396 2.774 -1.800 1.00 72.33 H new ATOM 0 HB2 LEU A 34 0.532 5.008 -0.928 1.00 22.14 H new ATOM 0 HB3 LEU A 34 0.398 3.328 -0.448 1.00 22.14 H new ATOM 0 HG LEU A 34 2.792 5.087 0.178 1.00 31.43 H new ATOM 0 HD11 LEU A 34 1.877 5.171 2.465 1.00 33.34 H new ATOM 0 HD12 LEU A 34 0.772 5.922 1.289 1.00 33.34 H new ATOM 0 HD13 LEU A 34 0.431 4.291 1.916 1.00 33.34 H new ATOM 0 HD21 LEU A 34 3.349 3.305 1.779 1.00 12.41 H new ATOM 0 HD22 LEU A 34 1.951 2.361 1.213 1.00 12.41 H new ATOM 0 HD23 LEU A 34 3.305 2.696 0.108 1.00 12.41 H new ATOM 512 N LYS A 35 0.311 4.473 -3.710 1.00 41.34 N ATOM 513 CA LYS A 35 -0.663 4.355 -4.785 1.00 41.31 C ATOM 514 C LYS A 35 -0.041 3.718 -6.024 1.00 34.50 C ATOM 515 O LYS A 35 -0.741 3.101 -6.828 1.00 32.04 O ATOM 516 CB LYS A 35 -1.254 5.721 -5.124 1.00 63.42 C ATOM 517 CG LYS A 35 -2.117 6.294 -4.013 1.00 74.31 C ATOM 518 CD LYS A 35 -2.731 7.626 -4.405 1.00 24.40 C ATOM 519 CE LYS A 35 -3.724 8.110 -3.362 1.00 44.14 C ATOM 520 NZ LYS A 35 -4.369 9.389 -3.762 1.00 73.14 N ATOM 0 H LYS A 35 0.564 5.433 -3.475 1.00 41.34 H new ATOM 0 HA LYS A 35 -1.467 3.704 -4.441 1.00 41.31 H new ATOM 0 HB2 LYS A 35 -0.443 6.417 -5.340 1.00 63.42 H new ATOM 0 HB3 LYS A 35 -1.852 5.636 -6.032 1.00 63.42 H new ATOM 0 HG2 LYS A 35 -2.909 5.587 -3.767 1.00 74.31 H new ATOM 0 HG3 LYS A 35 -1.514 6.422 -3.114 1.00 74.31 H new ATOM 0 HD2 LYS A 35 -1.943 8.368 -4.530 1.00 24.40 H new ATOM 0 HD3 LYS A 35 -3.232 7.527 -5.368 1.00 24.40 H new ATOM 0 HE2 LYS A 35 -4.490 7.349 -3.209 1.00 44.14 H new ATOM 0 HE3 LYS A 35 -3.213 8.244 -2.409 1.00 44.14 H new ATOM 0 HZ1 LYS A 35 -5.039 9.685 -3.024 1.00 73.14 H new ATOM 0 HZ2 LYS A 35 -3.641 10.122 -3.883 1.00 73.14 H new ATOM 0 HZ3 LYS A 35 -4.878 9.255 -4.659 1.00 73.14 H new ATOM 534 N GLN A 36 1.273 3.865 -6.175 1.00 14.14 N ATOM 535 CA GLN A 36 1.997 3.196 -7.249 1.00 64.35 C ATOM 536 C GLN A 36 1.851 1.687 -7.113 1.00 35.51 C ATOM 537 O GLN A 36 1.479 1.004 -8.064 1.00 1.42 O ATOM 538 CB GLN A 36 3.480 3.584 -7.244 1.00 32.42 C ATOM 539 CG GLN A 36 3.752 5.001 -7.728 1.00 24.21 C ATOM 540 CD GLN A 36 3.350 5.209 -9.176 1.00 51.41 C ATOM 541 OE1 GLN A 36 2.225 5.614 -9.473 1.00 73.31 O ATOM 542 NE2 GLN A 36 4.267 4.925 -10.087 1.00 14.42 N ATOM 0 H GLN A 36 1.856 4.441 -5.568 1.00 14.14 H new ATOM 0 HA GLN A 36 1.568 3.516 -8.199 1.00 64.35 H new ATOM 0 HB2 GLN A 36 3.870 3.476 -6.232 1.00 32.42 H new ATOM 0 HB3 GLN A 36 4.030 2.884 -7.874 1.00 32.42 H new ATOM 0 HG2 GLN A 36 3.209 5.707 -7.099 1.00 24.21 H new ATOM 0 HG3 GLN A 36 4.813 5.223 -7.614 1.00 24.21 H new ATOM 0 HE21 GLN A 36 5.187 4.592 -9.798 1.00 14.42 H new ATOM 0 HE22 GLN A 36 4.054 5.039 -11.078 1.00 14.42 H new ATOM 551 N GLU A 37 2.122 1.177 -5.919 1.00 70.40 N ATOM 552 CA GLU A 37 1.947 -0.243 -5.640 1.00 51.34 C ATOM 553 C GLU A 37 0.490 -0.649 -5.835 1.00 63.53 C ATOM 554 O GLU A 37 0.199 -1.673 -6.449 1.00 22.53 O ATOM 555 CB GLU A 37 2.392 -0.570 -4.211 1.00 65.35 C ATOM 556 CG GLU A 37 3.895 -0.496 -3.994 1.00 31.23 C ATOM 557 CD GLU A 37 4.649 -1.552 -4.775 1.00 61.43 C ATOM 558 OE1 GLU A 37 4.577 -2.744 -4.399 1.00 63.31 O ATOM 559 OE2 GLU A 37 5.334 -1.197 -5.755 1.00 24.01 O ATOM 0 H GLU A 37 2.463 1.724 -5.129 1.00 70.40 H new ATOM 0 HA GLU A 37 2.567 -0.806 -6.338 1.00 51.34 H new ATOM 0 HB2 GLU A 37 1.903 0.120 -3.523 1.00 65.35 H new ATOM 0 HB3 GLU A 37 2.048 -1.572 -3.956 1.00 65.35 H new ATOM 0 HG2 GLU A 37 4.252 0.491 -4.287 1.00 31.23 H new ATOM 0 HG3 GLU A 37 4.111 -0.611 -2.932 1.00 31.23 H new ATOM 566 N LEU A 38 -0.417 0.173 -5.332 1.00 51.22 N ATOM 567 CA LEU A 38 -1.845 -0.113 -5.406 1.00 24.41 C ATOM 568 C LEU A 38 -2.318 -0.267 -6.854 1.00 31.50 C ATOM 569 O LEU A 38 -2.982 -1.245 -7.192 1.00 43.23 O ATOM 570 CB LEU A 38 -2.639 0.995 -4.709 1.00 2.14 C ATOM 571 CG LEU A 38 -2.359 1.156 -3.210 1.00 14.00 C ATOM 572 CD1 LEU A 38 -3.049 2.393 -2.666 1.00 20.45 C ATOM 573 CD2 LEU A 38 -2.811 -0.077 -2.438 1.00 34.14 C ATOM 0 H LEU A 38 -0.189 1.050 -4.864 1.00 51.22 H new ATOM 0 HA LEU A 38 -2.021 -1.061 -4.897 1.00 24.41 H new ATOM 0 HB2 LEU A 38 -2.424 1.941 -5.206 1.00 2.14 H new ATOM 0 HB3 LEU A 38 -3.702 0.798 -4.844 1.00 2.14 H new ATOM 0 HG LEU A 38 -1.283 1.270 -3.081 1.00 14.00 H new ATOM 0 HD11 LEU A 38 -2.838 2.489 -1.601 1.00 20.45 H new ATOM 0 HD12 LEU A 38 -2.681 3.275 -3.190 1.00 20.45 H new ATOM 0 HD13 LEU A 38 -4.125 2.305 -2.816 1.00 20.45 H new ATOM 0 HD21 LEU A 38 -2.602 0.061 -1.377 1.00 34.14 H new ATOM 0 HD22 LEU A 38 -3.882 -0.223 -2.581 1.00 34.14 H new ATOM 0 HD23 LEU A 38 -2.273 -0.952 -2.803 1.00 34.14 H new ATOM 585 N LYS A 39 -1.956 0.679 -7.710 1.00 50.42 N ATOM 586 CA LYS A 39 -2.416 0.658 -9.100 1.00 21.44 C ATOM 587 C LYS A 39 -1.772 -0.485 -9.888 1.00 32.03 C ATOM 588 O LYS A 39 -2.331 -0.964 -10.875 1.00 43.14 O ATOM 589 CB LYS A 39 -2.124 1.997 -9.788 1.00 45.40 C ATOM 590 CG LYS A 39 -0.640 2.309 -9.920 1.00 13.50 C ATOM 591 CD LYS A 39 -0.393 3.657 -10.579 1.00 11.40 C ATOM 592 CE LYS A 39 -0.928 4.806 -9.737 1.00 41.23 C ATOM 593 NZ LYS A 39 -0.600 6.127 -10.335 1.00 75.24 N ATOM 0 H LYS A 39 -1.351 1.465 -7.474 1.00 50.42 H new ATOM 0 HA LYS A 39 -3.493 0.494 -9.083 1.00 21.44 H new ATOM 0 HB2 LYS A 39 -2.574 1.991 -10.781 1.00 45.40 H new ATOM 0 HB3 LYS A 39 -2.605 2.797 -9.225 1.00 45.40 H new ATOM 0 HG2 LYS A 39 -0.179 2.299 -8.932 1.00 13.50 H new ATOM 0 HG3 LYS A 39 -0.157 1.526 -10.505 1.00 13.50 H new ATOM 0 HD2 LYS A 39 0.677 3.792 -10.740 1.00 11.40 H new ATOM 0 HD3 LYS A 39 -0.868 3.674 -11.560 1.00 11.40 H new ATOM 0 HE2 LYS A 39 -2.009 4.711 -9.637 1.00 41.23 H new ATOM 0 HE3 LYS A 39 -0.508 4.747 -8.733 1.00 41.23 H new ATOM 0 HZ1 LYS A 39 -1.145 6.871 -9.854 1.00 75.24 H new ATOM 0 HZ2 LYS A 39 0.417 6.316 -10.223 1.00 75.24 H new ATOM 0 HZ3 LYS A 39 -0.841 6.120 -11.347 1.00 75.24 H new ATOM 607 N LEU A 40 -0.597 -0.918 -9.454 1.00 54.04 N ATOM 608 CA LEU A 40 0.130 -1.976 -10.145 1.00 2.34 C ATOM 609 C LEU A 40 -0.299 -3.361 -9.668 1.00 32.03 C ATOM 610 O LEU A 40 -0.375 -4.305 -10.453 1.00 74.34 O ATOM 611 CB LEU A 40 1.637 -1.800 -9.945 1.00 30.33 C ATOM 612 CG LEU A 40 2.232 -0.535 -10.566 1.00 75.01 C ATOM 613 CD1 LEU A 40 3.729 -0.469 -10.307 1.00 25.03 C ATOM 614 CD2 LEU A 40 1.944 -0.490 -12.058 1.00 75.24 C ATOM 0 H LEU A 40 -0.126 -0.553 -8.626 1.00 54.04 H new ATOM 0 HA LEU A 40 -0.107 -1.899 -11.206 1.00 2.34 H new ATOM 0 HB2 LEU A 40 1.847 -1.794 -8.876 1.00 30.33 H new ATOM 0 HB3 LEU A 40 2.147 -2.667 -10.366 1.00 30.33 H new ATOM 0 HG LEU A 40 1.765 0.333 -10.100 1.00 75.01 H new ATOM 0 HD11 LEU A 40 4.136 0.437 -10.756 1.00 25.03 H new ATOM 0 HD12 LEU A 40 3.912 -0.456 -9.233 1.00 25.03 H new ATOM 0 HD13 LEU A 40 4.213 -1.341 -10.747 1.00 25.03 H new ATOM 0 HD21 LEU A 40 2.374 0.416 -12.484 1.00 75.24 H new ATOM 0 HD22 LEU A 40 2.385 -1.363 -12.540 1.00 75.24 H new ATOM 0 HD23 LEU A 40 0.866 -0.491 -12.221 1.00 75.24 H new ATOM 626 N ARG A 41 -0.588 -3.477 -8.380 1.00 4.10 N ATOM 627 CA ARG A 41 -0.887 -4.769 -7.772 1.00 32.35 C ATOM 628 C ARG A 41 -2.392 -4.980 -7.639 1.00 54.11 C ATOM 629 O ARG A 41 -2.839 -5.899 -6.948 1.00 31.31 O ATOM 630 CB ARG A 41 -0.209 -4.859 -6.403 1.00 21.43 C ATOM 631 CG ARG A 41 1.276 -4.530 -6.460 1.00 12.21 C ATOM 632 CD ARG A 41 1.897 -4.432 -5.079 1.00 13.44 C ATOM 633 NE ARG A 41 2.037 -5.737 -4.448 1.00 51.01 N ATOM 634 CZ ARG A 41 3.096 -6.091 -3.725 1.00 43.30 C ATOM 635 NH1 ARG A 41 4.111 -5.247 -3.556 1.00 65.11 N ATOM 636 NH2 ARG A 41 3.154 -7.294 -3.184 1.00 24.25 N ATOM 0 H ARG A 41 -0.622 -2.690 -7.732 1.00 4.10 H new ATOM 0 HA ARG A 41 -0.500 -5.557 -8.418 1.00 32.35 H new ATOM 0 HB2 ARG A 41 -0.702 -4.175 -5.712 1.00 21.43 H new ATOM 0 HB3 ARG A 41 -0.339 -5.865 -6.003 1.00 21.43 H new ATOM 0 HG2 ARG A 41 1.794 -5.297 -7.035 1.00 12.21 H new ATOM 0 HG3 ARG A 41 1.417 -3.586 -6.987 1.00 12.21 H new ATOM 0 HD2 ARG A 41 2.876 -3.960 -5.155 1.00 13.44 H new ATOM 0 HD3 ARG A 41 1.281 -3.790 -4.450 1.00 13.44 H new ATOM 0 HE ARG A 41 1.284 -6.415 -4.567 1.00 51.01 H new ATOM 0 HH11 ARG A 41 4.081 -4.321 -3.982 1.00 65.11 H new ATOM 0 HH12 ARG A 41 4.919 -5.526 -3.000 1.00 65.11 H new ATOM 0 HH21 ARG A 41 2.387 -7.952 -3.320 1.00 24.25 H new ATOM 0 HH22 ARG A 41 3.966 -7.565 -2.630 1.00 24.25 H new ATOM 650 N SER A 42 -3.158 -4.121 -8.310 1.00 34.24 N ATOM 651 CA SER A 42 -4.616 -4.212 -8.332 1.00 21.22 C ATOM 652 C SER A 42 -5.206 -3.989 -6.941 1.00 14.32 C ATOM 653 O SER A 42 -5.669 -4.920 -6.281 1.00 22.33 O ATOM 654 CB SER A 42 -5.055 -5.559 -8.909 1.00 22.14 C ATOM 655 OG SER A 42 -4.492 -5.757 -10.198 1.00 54.02 O ATOM 0 H SER A 42 -2.785 -3.343 -8.853 1.00 34.24 H new ATOM 0 HA SER A 42 -4.998 -3.421 -8.977 1.00 21.22 H new ATOM 0 HB2 SER A 42 -4.745 -6.364 -8.243 1.00 22.14 H new ATOM 0 HB3 SER A 42 -6.143 -5.597 -8.971 1.00 22.14 H new ATOM 0 HG SER A 42 -4.781 -6.624 -10.552 1.00 54.02 H new ATOM 661 N LEU A 43 -5.162 -2.742 -6.502 1.00 74.11 N ATOM 662 CA LEU A 43 -5.662 -2.353 -5.194 1.00 73.33 C ATOM 663 C LEU A 43 -6.253 -0.950 -5.253 1.00 62.42 C ATOM 664 O LEU A 43 -5.745 -0.096 -5.980 1.00 3.54 O ATOM 665 CB LEU A 43 -4.526 -2.390 -4.172 1.00 44.43 C ATOM 666 CG LEU A 43 -4.222 -3.762 -3.579 1.00 51.03 C ATOM 667 CD1 LEU A 43 -2.840 -3.773 -2.947 1.00 24.50 C ATOM 668 CD2 LEU A 43 -5.276 -4.122 -2.545 1.00 34.12 C ATOM 0 H LEU A 43 -4.777 -1.969 -7.045 1.00 74.11 H new ATOM 0 HA LEU A 43 -6.441 -3.054 -4.893 1.00 73.33 H new ATOM 0 HB2 LEU A 43 -3.621 -2.010 -4.646 1.00 44.43 H new ATOM 0 HB3 LEU A 43 -4.770 -1.707 -3.358 1.00 44.43 H new ATOM 0 HG LEU A 43 -4.241 -4.503 -4.378 1.00 51.03 H new ATOM 0 HD11 LEU A 43 -2.639 -4.759 -2.529 1.00 24.50 H new ATOM 0 HD12 LEU A 43 -2.092 -3.541 -3.705 1.00 24.50 H new ATOM 0 HD13 LEU A 43 -2.797 -3.027 -2.154 1.00 24.50 H new ATOM 0 HD21 LEU A 43 -5.054 -5.103 -2.125 1.00 34.12 H new ATOM 0 HD22 LEU A 43 -5.274 -3.377 -1.749 1.00 34.12 H new ATOM 0 HD23 LEU A 43 -6.258 -4.144 -3.018 1.00 34.12 H new ATOM 680 N PRO A 44 -7.340 -0.701 -4.510 1.00 25.31 N ATOM 681 CA PRO A 44 -7.963 0.627 -4.437 1.00 21.03 C ATOM 682 C PRO A 44 -7.027 1.670 -3.824 1.00 35.13 C ATOM 683 O PRO A 44 -6.359 1.408 -2.821 1.00 10.13 O ATOM 684 CB PRO A 44 -9.189 0.411 -3.537 1.00 44.31 C ATOM 685 CG PRO A 44 -9.420 -1.063 -3.542 1.00 54.53 C ATOM 686 CD PRO A 44 -8.065 -1.689 -3.699 1.00 71.42 C ATOM 0 HA PRO A 44 -8.214 1.010 -5.426 1.00 21.03 H new ATOM 0 HB2 PRO A 44 -9.006 0.778 -2.527 1.00 44.31 H new ATOM 0 HB3 PRO A 44 -10.058 0.947 -3.919 1.00 44.31 H new ATOM 0 HG2 PRO A 44 -9.896 -1.387 -2.616 1.00 54.53 H new ATOM 0 HG3 PRO A 44 -10.081 -1.352 -4.359 1.00 54.53 H new ATOM 0 HD2 PRO A 44 -7.582 -1.854 -2.736 1.00 71.42 H new ATOM 0 HD3 PRO A 44 -8.122 -2.657 -4.197 1.00 71.42 H new ATOM 694 N VAL A 45 -6.996 2.854 -4.423 1.00 44.42 N ATOM 695 CA VAL A 45 -6.113 3.923 -3.968 1.00 75.32 C ATOM 696 C VAL A 45 -6.836 4.858 -3.004 1.00 55.14 C ATOM 697 O VAL A 45 -6.291 5.881 -2.586 1.00 24.32 O ATOM 698 CB VAL A 45 -5.548 4.745 -5.149 1.00 63.11 C ATOM 699 CG1 VAL A 45 -4.745 3.857 -6.086 1.00 11.23 C ATOM 700 CG2 VAL A 45 -6.662 5.457 -5.906 1.00 22.51 C ATOM 0 H VAL A 45 -7.573 3.099 -5.227 1.00 44.42 H new ATOM 0 HA VAL A 45 -5.282 3.443 -3.451 1.00 75.32 H new ATOM 0 HB VAL A 45 -4.882 5.505 -4.740 1.00 63.11 H new ATOM 0 HG11 VAL A 45 -4.356 4.455 -6.910 1.00 11.23 H new ATOM 0 HG12 VAL A 45 -3.915 3.409 -5.540 1.00 11.23 H new ATOM 0 HG13 VAL A 45 -5.387 3.070 -6.480 1.00 11.23 H new ATOM 0 HG21 VAL A 45 -6.235 6.027 -6.731 1.00 22.51 H new ATOM 0 HG22 VAL A 45 -7.363 4.721 -6.299 1.00 22.51 H new ATOM 0 HG23 VAL A 45 -7.186 6.133 -5.231 1.00 22.51 H new ATOM 710 N SER A 46 -8.062 4.498 -2.654 1.00 51.43 N ATOM 711 CA SER A 46 -8.847 5.292 -1.727 1.00 63.11 C ATOM 712 C SER A 46 -8.435 4.977 -0.294 1.00 23.21 C ATOM 713 O SER A 46 -8.311 3.808 0.086 1.00 65.33 O ATOM 714 CB SER A 46 -10.342 5.025 -1.929 1.00 72.51 C ATOM 715 OG SER A 46 -11.132 5.932 -1.177 1.00 35.41 O ATOM 0 H SER A 46 -8.533 3.661 -2.999 1.00 51.43 H new ATOM 0 HA SER A 46 -8.660 6.348 -1.920 1.00 63.11 H new ATOM 0 HB2 SER A 46 -10.590 5.113 -2.987 1.00 72.51 H new ATOM 0 HB3 SER A 46 -10.575 4.003 -1.631 1.00 72.51 H new ATOM 0 HG SER A 46 -12.081 5.740 -1.326 1.00 35.41 H new ATOM 721 N GLY A 47 -8.214 6.020 0.489 1.00 12.04 N ATOM 722 CA GLY A 47 -7.780 5.851 1.856 1.00 23.23 C ATOM 723 C GLY A 47 -6.612 6.755 2.188 1.00 75.31 C ATOM 724 O GLY A 47 -5.931 7.251 1.286 1.00 74.15 O ATOM 0 H GLY A 47 -8.329 6.990 0.197 1.00 12.04 H new ATOM 0 HA2 GLY A 47 -8.609 6.065 2.530 1.00 23.23 H new ATOM 0 HA3 GLY A 47 -7.495 4.812 2.022 1.00 23.23 H new ATOM 728 N THR A 48 -6.383 6.978 3.471 1.00 42.31 N ATOM 729 CA THR A 48 -5.261 7.796 3.909 1.00 13.44 C ATOM 730 C THR A 48 -3.958 7.000 3.844 1.00 31.14 C ATOM 731 O THR A 48 -3.986 5.787 3.629 1.00 43.14 O ATOM 732 CB THR A 48 -5.482 8.330 5.337 1.00 24.25 C ATOM 733 OG1 THR A 48 -5.820 7.253 6.222 1.00 35.11 O ATOM 734 CG2 THR A 48 -6.591 9.370 5.358 1.00 2.40 C ATOM 0 H THR A 48 -6.957 6.606 4.228 1.00 42.31 H new ATOM 0 HA THR A 48 -5.190 8.648 3.233 1.00 13.44 H new ATOM 0 HB THR A 48 -4.555 8.796 5.671 1.00 24.25 H new ATOM 0 HG1 THR A 48 -6.722 6.931 6.016 1.00 35.11 H new ATOM 0 HG21 THR A 48 -6.730 9.733 6.376 1.00 2.40 H new ATOM 0 HG22 THR A 48 -6.321 10.203 4.709 1.00 2.40 H new ATOM 0 HG23 THR A 48 -7.518 8.920 5.004 1.00 2.40 H new ATOM 742 N LYS A 49 -2.830 7.686 4.027 1.00 52.53 N ATOM 743 CA LYS A 49 -1.507 7.064 3.926 1.00 2.32 C ATOM 744 C LYS A 49 -1.423 5.767 4.724 1.00 21.42 C ATOM 745 O LYS A 49 -1.115 4.714 4.169 1.00 4.42 O ATOM 746 CB LYS A 49 -0.417 8.030 4.402 1.00 44.23 C ATOM 747 CG LYS A 49 0.990 7.463 4.266 1.00 21.34 C ATOM 748 CD LYS A 49 2.046 8.426 4.780 1.00 62.24 C ATOM 749 CE LYS A 49 3.446 7.876 4.552 1.00 12.23 C ATOM 750 NZ LYS A 49 4.500 8.813 5.021 1.00 63.11 N ATOM 0 H LYS A 49 -2.805 8.681 4.248 1.00 52.53 H new ATOM 0 HA LYS A 49 -1.348 6.826 2.874 1.00 2.32 H new ATOM 0 HB2 LYS A 49 -0.486 8.955 3.830 1.00 44.23 H new ATOM 0 HB3 LYS A 49 -0.599 8.287 5.446 1.00 44.23 H new ATOM 0 HG2 LYS A 49 1.057 6.525 4.816 1.00 21.34 H new ATOM 0 HG3 LYS A 49 1.188 7.233 3.219 1.00 21.34 H new ATOM 0 HD2 LYS A 49 1.943 9.387 4.276 1.00 62.24 H new ATOM 0 HD3 LYS A 49 1.891 8.606 5.844 1.00 62.24 H new ATOM 0 HE2 LYS A 49 3.550 6.924 5.073 1.00 12.23 H new ATOM 0 HE3 LYS A 49 3.587 7.675 3.490 1.00 12.23 H new ATOM 0 HZ1 LYS A 49 5.321 8.271 5.358 1.00 63.11 H new ATOM 0 HZ2 LYS A 49 4.791 9.429 4.236 1.00 63.11 H new ATOM 0 HZ3 LYS A 49 4.126 9.395 5.798 1.00 63.11 H new ATOM 764 N THR A 50 -1.715 5.839 6.015 1.00 4.34 N ATOM 765 CA THR A 50 -1.615 4.673 6.880 1.00 34.42 C ATOM 766 C THR A 50 -2.598 3.577 6.454 1.00 2.31 C ATOM 767 O THR A 50 -2.293 2.390 6.553 1.00 72.05 O ATOM 768 CB THR A 50 -1.852 5.061 8.354 1.00 42.11 C ATOM 769 OG1 THR A 50 -0.940 6.104 8.729 1.00 71.12 O ATOM 770 CG2 THR A 50 -1.660 3.866 9.281 1.00 10.32 C ATOM 0 H THR A 50 -2.022 6.690 6.485 1.00 4.34 H new ATOM 0 HA THR A 50 -0.604 4.278 6.783 1.00 34.42 H new ATOM 0 HB THR A 50 -2.881 5.408 8.451 1.00 42.11 H new ATOM 0 HG1 THR A 50 -1.093 6.351 9.665 1.00 71.12 H new ATOM 0 HG21 THR A 50 -1.834 4.174 10.312 1.00 10.32 H new ATOM 0 HG22 THR A 50 -2.366 3.080 9.012 1.00 10.32 H new ATOM 0 HG23 THR A 50 -0.642 3.489 9.182 1.00 10.32 H new ATOM 778 N GLU A 51 -3.760 3.979 5.946 1.00 55.04 N ATOM 779 CA GLU A 51 -4.759 3.017 5.487 1.00 12.25 C ATOM 780 C GLU A 51 -4.279 2.307 4.228 1.00 62.33 C ATOM 781 O GLU A 51 -4.486 1.103 4.069 1.00 52.32 O ATOM 782 CB GLU A 51 -6.093 3.704 5.221 1.00 51.45 C ATOM 783 CG GLU A 51 -6.716 4.312 6.460 1.00 22.33 C ATOM 784 CD GLU A 51 -8.078 4.903 6.183 1.00 55.31 C ATOM 785 OE1 GLU A 51 -8.149 5.970 5.531 1.00 23.34 O ATOM 786 OE2 GLU A 51 -9.084 4.301 6.608 1.00 63.21 O ATOM 0 H GLU A 51 -4.032 4.956 5.842 1.00 55.04 H new ATOM 0 HA GLU A 51 -4.901 2.278 6.276 1.00 12.25 H new ATOM 0 HB2 GLU A 51 -5.948 4.486 4.476 1.00 51.45 H new ATOM 0 HB3 GLU A 51 -6.787 2.980 4.793 1.00 51.45 H new ATOM 0 HG2 GLU A 51 -6.804 3.548 7.233 1.00 22.33 H new ATOM 0 HG3 GLU A 51 -6.058 5.088 6.852 1.00 22.33 H new ATOM 793 N LEU A 52 -3.636 3.057 3.341 1.00 71.44 N ATOM 794 CA LEU A 52 -3.064 2.486 2.128 1.00 13.12 C ATOM 795 C LEU A 52 -1.966 1.498 2.489 1.00 21.12 C ATOM 796 O LEU A 52 -1.882 0.410 1.919 1.00 73.23 O ATOM 797 CB LEU A 52 -2.503 3.584 1.217 1.00 41.33 C ATOM 798 CG LEU A 52 -3.514 4.643 0.777 1.00 43.43 C ATOM 799 CD1 LEU A 52 -2.846 5.676 -0.115 1.00 4.02 C ATOM 800 CD2 LEU A 52 -4.693 4.001 0.064 1.00 71.32 C ATOM 0 H LEU A 52 -3.498 4.063 3.439 1.00 71.44 H new ATOM 0 HA LEU A 52 -3.855 1.965 1.588 1.00 13.12 H new ATOM 0 HB2 LEU A 52 -1.683 4.081 1.736 1.00 41.33 H new ATOM 0 HB3 LEU A 52 -2.081 3.116 0.328 1.00 41.33 H new ATOM 0 HG LEU A 52 -3.891 5.147 1.667 1.00 43.43 H new ATOM 0 HD11 LEU A 52 -3.579 6.423 -0.419 1.00 4.02 H new ATOM 0 HD12 LEU A 52 -2.039 6.162 0.433 1.00 4.02 H new ATOM 0 HD13 LEU A 52 -2.440 5.185 -0.999 1.00 4.02 H new ATOM 0 HD21 LEU A 52 -5.399 4.774 -0.240 1.00 71.32 H new ATOM 0 HD22 LEU A 52 -4.338 3.467 -0.817 1.00 71.32 H new ATOM 0 HD23 LEU A 52 -5.188 3.301 0.737 1.00 71.32 H new ATOM 812 N ILE A 53 -1.137 1.880 3.456 1.00 41.53 N ATOM 813 CA ILE A 53 -0.100 0.997 3.971 1.00 42.31 C ATOM 814 C ILE A 53 -0.715 -0.286 4.523 1.00 13.43 C ATOM 815 O ILE A 53 -0.288 -1.386 4.180 1.00 32.33 O ATOM 816 CB ILE A 53 0.735 1.685 5.076 1.00 64.24 C ATOM 817 CG1 ILE A 53 1.422 2.941 4.524 1.00 54.33 C ATOM 818 CG2 ILE A 53 1.769 0.720 5.646 1.00 51.20 C ATOM 819 CD1 ILE A 53 2.188 3.724 5.568 1.00 61.22 C ATOM 0 H ILE A 53 -1.165 2.798 3.899 1.00 41.53 H new ATOM 0 HA ILE A 53 0.562 0.755 3.140 1.00 42.31 H new ATOM 0 HB ILE A 53 0.062 1.983 5.880 1.00 64.24 H new ATOM 0 HG12 ILE A 53 2.106 2.650 3.727 1.00 54.33 H new ATOM 0 HG13 ILE A 53 0.669 3.589 4.077 1.00 54.33 H new ATOM 0 HG21 ILE A 53 2.347 1.222 6.422 1.00 51.20 H new ATOM 0 HG22 ILE A 53 1.262 -0.145 6.074 1.00 51.20 H new ATOM 0 HG23 ILE A 53 2.438 0.392 4.850 1.00 51.20 H new ATOM 0 HD11 ILE A 53 2.646 4.597 5.104 1.00 61.22 H new ATOM 0 HD12 ILE A 53 1.505 4.047 6.354 1.00 61.22 H new ATOM 0 HD13 ILE A 53 2.965 3.093 5.999 1.00 61.22 H new ATOM 831 N GLU A 54 -1.739 -0.134 5.359 1.00 3.43 N ATOM 832 CA GLU A 54 -2.420 -1.280 5.951 1.00 41.52 C ATOM 833 C GLU A 54 -3.092 -2.137 4.887 1.00 35.43 C ATOM 834 O GLU A 54 -3.096 -3.362 4.990 1.00 45.24 O ATOM 835 CB GLU A 54 -3.452 -0.824 6.980 1.00 52.22 C ATOM 836 CG GLU A 54 -2.839 -0.317 8.272 1.00 25.12 C ATOM 837 CD GLU A 54 -1.982 -1.363 8.957 1.00 64.42 C ATOM 838 OE1 GLU A 54 -2.460 -2.502 9.145 1.00 72.24 O ATOM 839 OE2 GLU A 54 -0.830 -1.050 9.316 1.00 13.10 O ATOM 0 H GLU A 54 -2.115 0.771 5.641 1.00 3.43 H new ATOM 0 HA GLU A 54 -1.665 -1.886 6.451 1.00 41.52 H new ATOM 0 HB2 GLU A 54 -4.064 -0.034 6.543 1.00 52.22 H new ATOM 0 HB3 GLU A 54 -4.119 -1.656 7.206 1.00 52.22 H new ATOM 0 HG2 GLU A 54 -2.233 0.564 8.062 1.00 25.12 H new ATOM 0 HG3 GLU A 54 -3.634 -0.003 8.949 1.00 25.12 H new ATOM 846 N ARG A 55 -3.644 -1.497 3.862 1.00 23.51 N ATOM 847 CA ARG A 55 -4.282 -2.224 2.771 1.00 54.01 C ATOM 848 C ARG A 55 -3.253 -3.097 2.059 1.00 1.21 C ATOM 849 O ARG A 55 -3.532 -4.242 1.707 1.00 12.35 O ATOM 850 CB ARG A 55 -4.941 -1.261 1.775 1.00 61.15 C ATOM 851 CG ARG A 55 -5.807 -1.969 0.744 1.00 15.14 C ATOM 852 CD ARG A 55 -6.333 -1.013 -0.318 1.00 2.53 C ATOM 853 NE ARG A 55 -7.192 0.038 0.235 1.00 43.31 N ATOM 854 CZ ARG A 55 -8.527 0.014 0.186 1.00 22.42 C ATOM 855 NH1 ARG A 55 -9.163 -1.070 -0.243 1.00 40.21 N ATOM 856 NH2 ARG A 55 -9.229 1.061 0.596 1.00 23.03 N ATOM 0 H ARG A 55 -3.663 -0.482 3.764 1.00 23.51 H new ATOM 0 HA ARG A 55 -5.063 -2.858 3.192 1.00 54.01 H new ATOM 0 HB2 ARG A 55 -5.552 -0.543 2.323 1.00 61.15 H new ATOM 0 HB3 ARG A 55 -4.166 -0.693 1.261 1.00 61.15 H new ATOM 0 HG2 ARG A 55 -5.227 -2.758 0.265 1.00 15.14 H new ATOM 0 HG3 ARG A 55 -6.647 -2.450 1.246 1.00 15.14 H new ATOM 0 HD2 ARG A 55 -5.491 -0.552 -0.834 1.00 2.53 H new ATOM 0 HD3 ARG A 55 -6.893 -1.578 -1.063 1.00 2.53 H new ATOM 0 HE ARG A 55 -6.743 0.836 0.685 1.00 43.31 H new ATOM 0 HH11 ARG A 55 -8.632 -1.890 -0.537 1.00 40.21 H new ATOM 0 HH12 ARG A 55 -10.182 -1.083 -0.278 1.00 40.21 H new ATOM 0 HH21 ARG A 55 -8.750 1.889 0.950 1.00 23.03 H new ATOM 0 HH22 ARG A 55 -10.248 1.039 0.557 1.00 23.03 H new ATOM 870 N LEU A 56 -2.059 -2.547 1.865 1.00 75.32 N ATOM 871 CA LEU A 56 -0.951 -3.296 1.287 1.00 72.22 C ATOM 872 C LEU A 56 -0.546 -4.442 2.208 1.00 62.01 C ATOM 873 O LEU A 56 -0.393 -5.581 1.767 1.00 74.51 O ATOM 874 CB LEU A 56 0.250 -2.375 1.046 1.00 62.25 C ATOM 875 CG LEU A 56 0.079 -1.356 -0.078 1.00 63.20 C ATOM 876 CD1 LEU A 56 1.231 -0.364 -0.070 1.00 40.54 C ATOM 877 CD2 LEU A 56 0.000 -2.065 -1.423 1.00 12.23 C ATOM 0 H LEU A 56 -1.834 -1.581 2.101 1.00 75.32 H new ATOM 0 HA LEU A 56 -1.278 -3.708 0.332 1.00 72.22 H new ATOM 0 HB2 LEU A 56 0.466 -1.839 1.970 1.00 62.25 H new ATOM 0 HB3 LEU A 56 1.121 -2.992 0.825 1.00 62.25 H new ATOM 0 HG LEU A 56 -0.850 -0.810 0.083 1.00 63.20 H new ATOM 0 HD11 LEU A 56 1.096 0.357 -0.877 1.00 40.54 H new ATOM 0 HD12 LEU A 56 1.253 0.160 0.885 1.00 40.54 H new ATOM 0 HD13 LEU A 56 2.171 -0.897 -0.213 1.00 40.54 H new ATOM 0 HD21 LEU A 56 -0.122 -1.328 -2.216 1.00 12.23 H new ATOM 0 HD22 LEU A 56 0.917 -2.630 -1.591 1.00 12.23 H new ATOM 0 HD23 LEU A 56 -0.852 -2.745 -1.426 1.00 12.23 H new ATOM 889 N ARG A 57 -0.389 -4.129 3.492 1.00 1.12 N ATOM 890 CA ARG A 57 0.030 -5.115 4.484 1.00 1.01 C ATOM 891 C ARG A 57 -0.966 -6.267 4.564 1.00 72.22 C ATOM 892 O ARG A 57 -0.575 -7.430 4.614 1.00 34.12 O ATOM 893 CB ARG A 57 0.197 -4.461 5.859 1.00 31.42 C ATOM 894 CG ARG A 57 1.257 -3.372 5.882 1.00 3.34 C ATOM 895 CD ARG A 57 1.355 -2.703 7.243 1.00 53.15 C ATOM 896 NE ARG A 57 1.968 -3.568 8.249 1.00 4.11 N ATOM 897 CZ ARG A 57 2.613 -3.106 9.318 1.00 32.13 C ATOM 898 NH1 ARG A 57 2.687 -1.800 9.537 1.00 44.14 N ATOM 899 NH2 ARG A 57 3.175 -3.948 10.175 1.00 2.40 N ATOM 0 H ARG A 57 -0.547 -3.195 3.871 1.00 1.12 H new ATOM 0 HA ARG A 57 0.993 -5.517 4.170 1.00 1.01 H new ATOM 0 HB2 ARG A 57 -0.757 -4.036 6.170 1.00 31.42 H new ATOM 0 HB3 ARG A 57 0.457 -5.227 6.589 1.00 31.42 H new ATOM 0 HG2 ARG A 57 2.224 -3.801 5.618 1.00 3.34 H new ATOM 0 HG3 ARG A 57 1.024 -2.623 5.125 1.00 3.34 H new ATOM 0 HD2 ARG A 57 1.938 -1.787 7.153 1.00 53.15 H new ATOM 0 HD3 ARG A 57 0.358 -2.415 7.575 1.00 53.15 H new ATOM 0 HE ARG A 57 1.898 -4.578 8.126 1.00 4.11 H new ATOM 0 HH11 ARG A 57 2.249 -1.148 8.886 1.00 44.14 H new ATOM 0 HH12 ARG A 57 3.182 -1.448 10.357 1.00 44.14 H new ATOM 0 HH21 ARG A 57 3.114 -4.954 10.016 1.00 2.40 H new ATOM 0 HH22 ARG A 57 3.668 -3.590 10.993 1.00 2.40 H new ATOM 913 N ALA A 58 -2.253 -5.937 4.553 1.00 11.24 N ATOM 914 CA ALA A 58 -3.302 -6.946 4.568 1.00 33.25 C ATOM 915 C ALA A 58 -3.281 -7.763 3.280 1.00 10.04 C ATOM 916 O ALA A 58 -3.514 -8.972 3.293 1.00 25.30 O ATOM 917 CB ALA A 58 -4.662 -6.291 4.759 1.00 74.15 C ATOM 0 H ALA A 58 -2.594 -4.976 4.534 1.00 11.24 H new ATOM 0 HA ALA A 58 -3.119 -7.621 5.404 1.00 33.25 H new ATOM 0 HB1 ALA A 58 -5.437 -7.057 4.768 1.00 74.15 H new ATOM 0 HB2 ALA A 58 -4.676 -5.750 5.705 1.00 74.15 H new ATOM 0 HB3 ALA A 58 -4.849 -5.596 3.941 1.00 74.15 H new ATOM 923 N TYR A 59 -2.979 -7.092 2.176 1.00 45.44 N ATOM 924 CA TYR A 59 -2.905 -7.739 0.871 1.00 73.43 C ATOM 925 C TYR A 59 -1.807 -8.802 0.858 1.00 23.31 C ATOM 926 O TYR A 59 -1.981 -9.877 0.291 1.00 50.10 O ATOM 927 CB TYR A 59 -2.644 -6.692 -0.217 1.00 33.53 C ATOM 928 CG TYR A 59 -2.706 -7.230 -1.629 1.00 31.32 C ATOM 929 CD1 TYR A 59 -3.918 -7.335 -2.297 1.00 55.44 C ATOM 930 CD2 TYR A 59 -1.553 -7.617 -2.298 1.00 54.10 C ATOM 931 CE1 TYR A 59 -3.981 -7.813 -3.590 1.00 21.01 C ATOM 932 CE2 TYR A 59 -1.607 -8.095 -3.594 1.00 12.13 C ATOM 933 CZ TYR A 59 -2.825 -8.191 -4.235 1.00 23.44 C ATOM 934 OH TYR A 59 -2.885 -8.660 -5.527 1.00 55.43 O ATOM 0 H TYR A 59 -2.780 -6.092 2.158 1.00 45.44 H new ATOM 0 HA TYR A 59 -3.858 -8.229 0.671 1.00 73.43 H new ATOM 0 HB2 TYR A 59 -3.374 -5.889 -0.115 1.00 33.53 H new ATOM 0 HB3 TYR A 59 -1.661 -6.251 -0.052 1.00 33.53 H new ATOM 0 HD1 TYR A 59 -4.827 -7.037 -1.796 1.00 55.44 H new ATOM 0 HD2 TYR A 59 -0.599 -7.543 -1.798 1.00 54.10 H new ATOM 0 HE1 TYR A 59 -4.933 -7.890 -4.094 1.00 21.01 H new ATOM 0 HE2 TYR A 59 -0.701 -8.392 -4.102 1.00 12.13 H new ATOM 0 HH TYR A 59 -2.881 -7.904 -6.150 1.00 55.43 H new ATOM 944 N GLN A 60 -0.683 -8.495 1.495 1.00 20.22 N ATOM 945 CA GLN A 60 0.440 -9.424 1.553 1.00 3.33 C ATOM 946 C GLN A 60 0.210 -10.459 2.652 1.00 25.32 C ATOM 947 O GLN A 60 0.711 -11.584 2.582 1.00 72.41 O ATOM 948 CB GLN A 60 1.745 -8.655 1.795 1.00 72.21 C ATOM 949 CG GLN A 60 2.925 -9.168 0.978 1.00 5.05 C ATOM 950 CD GLN A 60 3.489 -10.490 1.468 1.00 11.22 C ATOM 951 OE1 GLN A 60 3.954 -11.307 0.679 1.00 34.00 O ATOM 952 NE2 GLN A 60 3.500 -10.694 2.774 1.00 50.01 N ATOM 0 H GLN A 60 -0.525 -7.611 1.978 1.00 20.22 H new ATOM 0 HA GLN A 60 0.519 -9.948 0.600 1.00 3.33 H new ATOM 0 HB2 GLN A 60 1.584 -7.603 1.561 1.00 72.21 H new ATOM 0 HB3 GLN A 60 1.997 -8.711 2.854 1.00 72.21 H new ATOM 0 HG2 GLN A 60 2.613 -9.281 -0.060 1.00 5.05 H new ATOM 0 HG3 GLN A 60 3.717 -8.419 0.993 1.00 5.05 H new ATOM 0 HE21 GLN A 60 3.105 -9.995 3.403 1.00 50.01 H new ATOM 0 HE22 GLN A 60 3.903 -11.551 3.153 1.00 50.01 H new ATOM 961 N ASP A 61 -0.567 -10.078 3.659 1.00 23.24 N ATOM 962 CA ASP A 61 -0.890 -10.978 4.765 1.00 34.24 C ATOM 963 C ASP A 61 -1.614 -12.216 4.258 1.00 74.50 C ATOM 964 O ASP A 61 -1.270 -13.338 4.620 1.00 42.34 O ATOM 965 CB ASP A 61 -1.754 -10.267 5.811 1.00 34.54 C ATOM 966 CG ASP A 61 -2.093 -11.164 6.986 1.00 54.32 C ATOM 967 OD1 ASP A 61 -3.106 -11.892 6.913 1.00 45.01 O ATOM 968 OD2 ASP A 61 -1.346 -11.142 7.988 1.00 10.32 O ATOM 0 H ASP A 61 -0.987 -9.151 3.735 1.00 23.24 H new ATOM 0 HA ASP A 61 0.047 -11.282 5.231 1.00 34.24 H new ATOM 0 HB2 ASP A 61 -1.229 -9.383 6.172 1.00 34.54 H new ATOM 0 HB3 ASP A 61 -2.676 -9.922 5.343 1.00 34.54 H new ATOM 973 N GLN A 62 -2.604 -12.007 3.397 1.00 22.34 N ATOM 974 CA GLN A 62 -3.376 -13.114 2.835 1.00 51.31 C ATOM 975 C GLN A 62 -2.549 -13.912 1.825 1.00 71.13 C ATOM 976 O GLN A 62 -2.964 -14.977 1.374 1.00 22.43 O ATOM 977 CB GLN A 62 -4.670 -12.598 2.188 1.00 70.34 C ATOM 978 CG GLN A 62 -4.463 -11.444 1.221 1.00 32.10 C ATOM 979 CD GLN A 62 -5.750 -10.996 0.557 1.00 53.25 C ATOM 980 OE1 GLN A 62 -6.106 -11.468 -0.522 1.00 2.14 O ATOM 981 NE2 GLN A 62 -6.478 -10.104 1.208 1.00 72.45 N ATOM 0 H GLN A 62 -2.892 -11.084 3.072 1.00 22.34 H new ATOM 0 HA GLN A 62 -3.641 -13.784 3.652 1.00 51.31 H new ATOM 0 HB2 GLN A 62 -5.151 -13.420 1.658 1.00 70.34 H new ATOM 0 HB3 GLN A 62 -5.355 -12.281 2.974 1.00 70.34 H new ATOM 0 HG2 GLN A 62 -4.023 -10.602 1.756 1.00 32.10 H new ATOM 0 HG3 GLN A 62 -3.748 -11.742 0.454 1.00 32.10 H new ATOM 0 HE21 GLN A 62 -6.152 -9.734 2.101 1.00 72.45 H new ATOM 0 HE22 GLN A 62 -7.365 -9.787 0.817 1.00 72.45 H new ATOM 990 N ILE A 63 -1.377 -13.391 1.481 1.00 53.44 N ATOM 991 CA ILE A 63 -0.462 -14.088 0.585 1.00 1.30 C ATOM 992 C ILE A 63 0.401 -15.067 1.375 1.00 33.44 C ATOM 993 O ILE A 63 0.661 -16.189 0.937 1.00 60.55 O ATOM 994 CB ILE A 63 0.467 -13.098 -0.162 1.00 32.51 C ATOM 995 CG1 ILE A 63 -0.349 -12.115 -1.005 1.00 24.33 C ATOM 996 CG2 ILE A 63 1.466 -13.843 -1.036 1.00 43.31 C ATOM 997 CD1 ILE A 63 -1.178 -12.777 -2.083 1.00 21.55 C ATOM 0 H ILE A 63 -1.038 -12.487 1.810 1.00 53.44 H new ATOM 0 HA ILE A 63 -1.067 -14.623 -0.147 1.00 1.30 H new ATOM 0 HB ILE A 63 1.022 -12.532 0.586 1.00 32.51 H new ATOM 0 HG12 ILE A 63 -1.009 -11.549 -0.348 1.00 24.33 H new ATOM 0 HG13 ILE A 63 0.329 -11.399 -1.469 1.00 24.33 H new ATOM 0 HG21 ILE A 63 2.106 -13.126 -1.549 1.00 43.31 H new ATOM 0 HG22 ILE A 63 2.078 -14.495 -0.414 1.00 43.31 H new ATOM 0 HG23 ILE A 63 0.930 -14.442 -1.772 1.00 43.31 H new ATOM 0 HD11 ILE A 63 -1.728 -12.017 -2.638 1.00 21.55 H new ATOM 0 HD12 ILE A 63 -0.523 -13.320 -2.764 1.00 21.55 H new ATOM 0 HD13 ILE A 63 -1.882 -13.472 -1.625 1.00 21.55 H new ATOM 1009 N SER A 64 0.815 -14.639 2.557 1.00 71.01 N ATOM 1010 CA SER A 64 1.791 -15.378 3.335 1.00 41.34 C ATOM 1011 C SER A 64 1.144 -16.126 4.496 1.00 21.21 C ATOM 1012 O SER A 64 0.312 -15.574 5.219 1.00 10.21 O ATOM 1013 CB SER A 64 2.847 -14.412 3.865 1.00 12.13 C ATOM 1014 OG SER A 64 3.339 -13.586 2.822 1.00 23.11 O ATOM 0 H SER A 64 0.487 -13.780 2.998 1.00 71.01 H new ATOM 0 HA SER A 64 2.252 -16.120 2.684 1.00 41.34 H new ATOM 0 HB2 SER A 64 2.418 -13.794 4.654 1.00 12.13 H new ATOM 0 HB3 SER A 64 3.669 -14.972 4.310 1.00 12.13 H new ATOM 0 HG SER A 64 4.309 -13.483 2.916 1.00 23.11 H new ATOM 1020 N PRO A 65 1.522 -17.400 4.685 1.00 51.12 N ATOM 1021 CA PRO A 65 1.058 -18.205 5.814 1.00 14.40 C ATOM 1022 C PRO A 65 1.636 -17.704 7.133 1.00 21.35 C ATOM 1023 O PRO A 65 2.782 -17.246 7.187 1.00 41.04 O ATOM 1024 CB PRO A 65 1.573 -19.620 5.505 1.00 61.20 C ATOM 1025 CG PRO A 65 2.018 -19.581 4.080 1.00 33.42 C ATOM 1026 CD PRO A 65 2.422 -18.161 3.811 1.00 52.32 C ATOM 0 HA PRO A 65 -0.025 -18.162 5.928 1.00 14.40 H new ATOM 0 HB2 PRO A 65 2.396 -19.891 6.166 1.00 61.20 H new ATOM 0 HB3 PRO A 65 0.789 -20.363 5.651 1.00 61.20 H new ATOM 0 HG2 PRO A 65 2.852 -20.262 3.913 1.00 33.42 H new ATOM 0 HG3 PRO A 65 1.215 -19.891 3.412 1.00 33.42 H new ATOM 0 HD2 PRO A 65 3.469 -17.984 4.056 1.00 52.32 H new ATOM 0 HD3 PRO A 65 2.290 -17.894 2.762 1.00 52.32 H new ATOM 1034 N VAL A 66 0.838 -17.781 8.189 1.00 53.32 N ATOM 1035 CA VAL A 66 1.272 -17.345 9.510 1.00 24.32 C ATOM 1036 C VAL A 66 2.393 -18.245 10.034 1.00 44.01 C ATOM 1037 O VAL A 66 2.553 -19.374 9.573 1.00 1.52 O ATOM 1038 CB VAL A 66 0.097 -17.335 10.514 1.00 35.30 C ATOM 1039 CG1 VAL A 66 -0.966 -16.337 10.085 1.00 1.11 C ATOM 1040 CG2 VAL A 66 -0.505 -18.726 10.661 1.00 12.24 C ATOM 0 H VAL A 66 -0.115 -18.142 8.157 1.00 53.32 H new ATOM 0 HA VAL A 66 1.648 -16.327 9.411 1.00 24.32 H new ATOM 0 HB VAL A 66 0.486 -17.029 11.485 1.00 35.30 H new ATOM 0 HG11 VAL A 66 -1.784 -16.345 10.805 1.00 1.11 H new ATOM 0 HG12 VAL A 66 -0.531 -15.338 10.041 1.00 1.11 H new ATOM 0 HG13 VAL A 66 -1.346 -16.611 9.101 1.00 1.11 H new ATOM 0 HG21 VAL A 66 -1.330 -18.692 11.373 1.00 12.24 H new ATOM 0 HG22 VAL A 66 -0.874 -19.067 9.694 1.00 12.24 H new ATOM 0 HG23 VAL A 66 0.258 -19.416 11.022 1.00 12.24 H new ATOM 1050 N PRO A 67 3.185 -17.756 11.004 1.00 2.30 N ATOM 1051 CA PRO A 67 4.309 -18.515 11.576 1.00 55.13 C ATOM 1052 C PRO A 67 3.885 -19.866 12.157 1.00 11.11 C ATOM 1053 O PRO A 67 4.694 -20.788 12.250 1.00 61.21 O ATOM 1054 CB PRO A 67 4.847 -17.599 12.684 1.00 62.13 C ATOM 1055 CG PRO A 67 3.771 -16.594 12.924 1.00 22.53 C ATOM 1056 CD PRO A 67 3.066 -16.423 11.611 1.00 61.21 C ATOM 0 HA PRO A 67 5.048 -18.761 10.813 1.00 55.13 H new ATOM 0 HB2 PRO A 67 5.066 -18.165 13.590 1.00 62.13 H new ATOM 0 HB3 PRO A 67 5.775 -17.116 12.378 1.00 62.13 H new ATOM 0 HG2 PRO A 67 3.082 -16.937 13.695 1.00 22.53 H new ATOM 0 HG3 PRO A 67 4.190 -15.648 13.268 1.00 22.53 H new ATOM 0 HD2 PRO A 67 2.025 -16.131 11.746 1.00 61.21 H new ATOM 0 HD3 PRO A 67 3.535 -15.655 10.996 1.00 61.21 H new ATOM 1064 N GLY A 68 2.617 -19.981 12.533 1.00 64.53 N ATOM 1065 CA GLY A 68 2.109 -21.227 13.076 1.00 4.21 C ATOM 1066 C GLY A 68 1.644 -22.186 11.995 1.00 73.00 C ATOM 1067 O GLY A 68 1.178 -23.288 12.291 1.00 14.10 O ATOM 0 H GLY A 68 1.929 -19.231 12.471 1.00 64.53 H new ATOM 0 HA2 GLY A 68 2.888 -21.705 13.670 1.00 4.21 H new ATOM 0 HA3 GLY A 68 1.279 -21.014 13.750 1.00 4.21 H new ATOM 1071 N ALA A 69 1.770 -21.768 10.745 1.00 51.11 N ATOM 1072 CA ALA A 69 1.366 -22.586 9.611 1.00 23.21 C ATOM 1073 C ALA A 69 2.587 -22.972 8.786 1.00 74.21 C ATOM 1074 O ALA A 69 3.625 -22.313 8.873 1.00 65.41 O ATOM 1075 CB ALA A 69 0.360 -21.827 8.754 1.00 63.00 C ATOM 0 H ALA A 69 2.153 -20.858 10.488 1.00 51.11 H new ATOM 0 HA ALA A 69 0.893 -23.497 9.978 1.00 23.21 H new ATOM 0 HB1 ALA A 69 0.063 -22.446 7.908 1.00 63.00 H new ATOM 0 HB2 ALA A 69 -0.518 -21.585 9.352 1.00 63.00 H new ATOM 0 HB3 ALA A 69 0.815 -20.906 8.388 1.00 63.00 H new ATOM 1081 N PRO A 70 2.495 -24.060 8.000 1.00 2.51 N ATOM 1082 CA PRO A 70 3.577 -24.481 7.105 1.00 60.41 C ATOM 1083 C PRO A 70 4.034 -23.351 6.183 1.00 62.14 C ATOM 1084 O PRO A 70 3.269 -22.867 5.347 1.00 35.13 O ATOM 1085 CB PRO A 70 2.950 -25.614 6.293 1.00 13.32 C ATOM 1086 CG PRO A 70 1.865 -26.149 7.160 1.00 10.23 C ATOM 1087 CD PRO A 70 1.338 -24.972 7.933 1.00 71.14 C ATOM 0 HA PRO A 70 4.469 -24.781 7.655 1.00 60.41 H new ATOM 0 HB2 PRO A 70 2.555 -25.249 5.345 1.00 13.32 H new ATOM 0 HB3 PRO A 70 3.684 -26.385 6.057 1.00 13.32 H new ATOM 0 HG2 PRO A 70 1.078 -26.608 6.562 1.00 10.23 H new ATOM 0 HG3 PRO A 70 2.245 -26.919 7.831 1.00 10.23 H new ATOM 0 HD2 PRO A 70 0.490 -24.508 7.430 1.00 71.14 H new ATOM 0 HD3 PRO A 70 0.998 -25.264 8.927 1.00 71.14 H new ATOM 1095 N LYS A 71 5.282 -22.943 6.345 1.00 30.32 N ATOM 1096 CA LYS A 71 5.833 -21.832 5.584 1.00 55.12 C ATOM 1097 C LYS A 71 6.133 -22.261 4.155 1.00 64.32 C ATOM 1098 O LYS A 71 5.455 -21.847 3.213 1.00 42.33 O ATOM 1099 CB LYS A 71 7.107 -21.320 6.256 1.00 3.51 C ATOM 1100 CG LYS A 71 7.774 -20.178 5.513 1.00 55.52 C ATOM 1101 CD LYS A 71 9.068 -19.752 6.184 1.00 1.01 C ATOM 1102 CE LYS A 71 9.701 -18.575 5.462 1.00 61.01 C ATOM 1103 NZ LYS A 71 8.760 -17.429 5.350 1.00 13.12 N ATOM 0 H LYS A 71 5.937 -23.368 7.001 1.00 30.32 H new ATOM 0 HA LYS A 71 5.096 -21.029 5.557 1.00 55.12 H new ATOM 0 HB2 LYS A 71 6.867 -20.992 7.267 1.00 3.51 H new ATOM 0 HB3 LYS A 71 7.815 -22.144 6.348 1.00 3.51 H new ATOM 0 HG2 LYS A 71 7.979 -20.482 4.487 1.00 55.52 H new ATOM 0 HG3 LYS A 71 7.093 -19.329 5.464 1.00 55.52 H new ATOM 0 HD2 LYS A 71 8.871 -19.482 7.221 1.00 1.01 H new ATOM 0 HD3 LYS A 71 9.765 -20.590 6.200 1.00 1.01 H new ATOM 0 HE2 LYS A 71 10.597 -18.259 5.996 1.00 61.01 H new ATOM 0 HE3 LYS A 71 10.016 -18.886 4.466 1.00 61.01 H new ATOM 0 HZ1 LYS A 71 9.291 -16.564 5.123 1.00 13.12 H new ATOM 0 HZ2 LYS A 71 8.069 -17.619 4.596 1.00 13.12 H new ATOM 0 HZ3 LYS A 71 8.260 -17.301 6.253 1.00 13.12 H new ATOM 1117 N ALA A 72 7.156 -23.084 4.003 1.00 53.13 N ATOM 1118 CA ALA A 72 7.523 -23.607 2.701 1.00 0.34 C ATOM 1119 C ALA A 72 8.027 -25.037 2.831 1.00 34.51 C ATOM 1120 O ALA A 72 9.232 -25.281 2.885 1.00 34.11 O ATOM 1121 CB ALA A 72 8.575 -22.722 2.048 1.00 50.50 C ATOM 0 H ALA A 72 7.748 -23.405 4.769 1.00 53.13 H new ATOM 0 HA ALA A 72 6.639 -23.610 2.064 1.00 0.34 H new ATOM 0 HB1 ALA A 72 8.838 -23.130 1.072 1.00 50.50 H new ATOM 0 HB2 ALA A 72 8.178 -21.714 1.925 1.00 50.50 H new ATOM 0 HB3 ALA A 72 9.463 -22.687 2.678 1.00 50.50 H new ATOM 1127 N PRO A 73 7.105 -26.003 2.917 1.00 32.23 N ATOM 1128 CA PRO A 73 7.440 -27.411 3.059 1.00 21.13 C ATOM 1129 C PRO A 73 7.650 -28.086 1.710 1.00 21.55 C ATOM 1130 O PRO A 73 7.705 -29.313 1.615 1.00 12.13 O ATOM 1131 CB PRO A 73 6.213 -28.002 3.772 1.00 44.01 C ATOM 1132 CG PRO A 73 5.175 -26.916 3.806 1.00 1.23 C ATOM 1133 CD PRO A 73 5.656 -25.814 2.903 1.00 54.50 C ATOM 0 HA PRO A 73 8.373 -27.558 3.603 1.00 21.13 H new ATOM 0 HB2 PRO A 73 5.841 -28.878 3.241 1.00 44.01 H new ATOM 0 HB3 PRO A 73 6.469 -28.326 4.781 1.00 44.01 H new ATOM 0 HG2 PRO A 73 4.210 -27.295 3.470 1.00 1.23 H new ATOM 0 HG3 PRO A 73 5.036 -26.548 4.823 1.00 1.23 H new ATOM 0 HD2 PRO A 73 5.245 -25.905 1.898 1.00 54.50 H new ATOM 0 HD3 PRO A 73 5.371 -24.830 3.276 1.00 54.50 H new ATOM 1141 N ALA A 74 7.765 -27.279 0.668 1.00 34.11 N ATOM 1142 CA ALA A 74 7.949 -27.795 -0.674 1.00 11.53 C ATOM 1143 C ALA A 74 9.423 -28.059 -0.950 1.00 74.34 C ATOM 1144 O ALA A 74 10.213 -27.126 -1.110 1.00 51.34 O ATOM 1145 CB ALA A 74 7.383 -26.823 -1.698 1.00 1.51 C ATOM 0 H ALA A 74 7.734 -26.261 0.729 1.00 34.11 H new ATOM 0 HA ALA A 74 7.410 -28.739 -0.756 1.00 11.53 H new ATOM 0 HB1 ALA A 74 7.529 -27.225 -2.701 1.00 1.51 H new ATOM 0 HB2 ALA A 74 6.318 -26.681 -1.515 1.00 1.51 H new ATOM 0 HB3 ALA A 74 7.896 -25.865 -1.613 1.00 1.51 H new ATOM 1151 N ALA A 75 9.786 -29.330 -0.982 1.00 11.32 N ATOM 1152 CA ALA A 75 11.149 -29.736 -1.269 1.00 33.01 C ATOM 1153 C ALA A 75 11.132 -31.038 -2.053 1.00 21.12 C ATOM 1154 O ALA A 75 11.223 -32.117 -1.431 1.00 38.03 O ATOM 1155 CB ALA A 75 11.951 -29.887 0.017 1.00 4.01 C ATOM 1156 OXT ALA A 75 10.970 -30.982 -3.287 1.00 38.03 O ATOM 0 H ALA A 75 9.146 -30.106 -0.810 1.00 11.32 H new ATOM 0 HA ALA A 75 11.633 -28.965 -1.869 1.00 33.01 H new ATOM 0 HB1 ALA A 75 12.970 -30.192 -0.223 1.00 4.01 H new ATOM 0 HB2 ALA A 75 11.973 -28.934 0.546 1.00 4.01 H new ATOM 0 HB3 ALA A 75 11.486 -30.643 0.649 1.00 4.01 H new TER 1162 ALA A 75