USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 41 CYS SG : rot 95:sc= 0.687 USER MOD Set 1.2: A 51 THR OG1 : rot 168:sc= -1.58! USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 35:sc= 0.0574 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.746 F(o=-2.1,f=-0.75) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 38 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= -0.163 (180deg=-0.166) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 151:sc= 0.395 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 35:sc= -0.215 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= 0.143 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.0297 (180deg=-0.59) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.016 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.601 1.047 -2.255 1.00 1.24 N ATOM 2 CA MET A 9 1.958 -0.091 -1.416 1.00 34.31 C ATOM 3 C MET A 9 1.607 -1.406 -2.106 1.00 13.21 C ATOM 4 O MET A 9 2.358 -2.378 -2.031 1.00 20.32 O ATOM 5 CB MET A 9 1.241 -0.003 -0.067 1.00 51.32 C ATOM 6 CG MET A 9 2.073 0.655 1.021 1.00 4.23 C ATOM 7 SD MET A 9 3.174 -0.507 1.852 1.00 14.12 S ATOM 8 CE MET A 9 4.629 0.511 2.083 1.00 22.01 C ATOM 0 HA MET A 9 3.035 -0.064 -1.249 1.00 34.31 H new ATOM 0 HB2 MET A 9 0.314 0.557 -0.193 1.00 51.32 H new ATOM 0 HB3 MET A 9 0.965 -1.007 0.255 1.00 51.32 H new ATOM 0 HG2 MET A 9 2.664 1.460 0.584 1.00 4.23 H new ATOM 0 HG3 MET A 9 1.409 1.109 1.756 1.00 4.23 H new ATOM 0 HE1 MET A 9 5.403 -0.069 2.587 1.00 22.01 H new ATOM 0 HE2 MET A 9 4.998 0.843 1.113 1.00 22.01 H new ATOM 0 HE3 MET A 9 4.373 1.379 2.691 1.00 22.01 H new ATOM 18 N LYS A 10 0.461 -1.429 -2.778 1.00 13.41 N ATOM 19 CA LYS A 10 0.010 -2.623 -3.482 1.00 51.14 C ATOM 20 C LYS A 10 -0.381 -2.292 -4.919 1.00 64.13 C ATOM 21 O LYS A 10 -1.059 -1.296 -5.174 1.00 62.43 O ATOM 22 CB LYS A 10 -1.178 -3.253 -2.752 1.00 30.10 C ATOM 23 CG LYS A 10 -0.812 -4.490 -1.949 1.00 51.44 C ATOM 24 CD LYS A 10 -1.892 -5.554 -2.042 1.00 34.23 C ATOM 25 CE LYS A 10 -2.832 -5.500 -0.847 1.00 52.31 C ATOM 26 NZ LYS A 10 -4.221 -5.144 -1.250 1.00 31.32 N ATOM 0 H LYS A 10 -0.173 -0.633 -2.850 1.00 13.41 H new ATOM 0 HA LYS A 10 0.835 -3.335 -3.503 1.00 51.14 H new ATOM 0 HB2 LYS A 10 -1.617 -2.513 -2.083 1.00 30.10 H new ATOM 0 HB3 LYS A 10 -1.944 -3.517 -3.482 1.00 30.10 H new ATOM 0 HG2 LYS A 10 0.132 -4.895 -2.313 1.00 51.44 H new ATOM 0 HG3 LYS A 10 -0.659 -4.215 -0.905 1.00 51.44 H new ATOM 0 HD2 LYS A 10 -2.462 -5.416 -2.961 1.00 34.23 H new ATOM 0 HD3 LYS A 10 -1.430 -6.539 -2.098 1.00 34.23 H new ATOM 0 HE2 LYS A 10 -2.836 -6.467 -0.344 1.00 52.31 H new ATOM 0 HE3 LYS A 10 -2.464 -4.768 -0.128 1.00 52.31 H new ATOM 0 HZ1 LYS A 10 -4.831 -5.117 -0.408 1.00 31.32 H new ATOM 0 HZ2 LYS A 10 -4.221 -4.210 -1.707 1.00 31.32 H new ATOM 0 HZ3 LYS A 10 -4.582 -5.856 -1.917 1.00 31.32 H new ATOM 40 N ILE A 11 0.050 -3.133 -5.853 1.00 62.23 N ATOM 41 CA ILE A 11 -0.257 -2.931 -7.264 1.00 13.44 C ATOM 42 C ILE A 11 -0.902 -4.172 -7.870 1.00 30.54 C ATOM 43 O ILE A 11 -0.553 -5.300 -7.520 1.00 71.43 O ATOM 44 CB ILE A 11 1.006 -2.576 -8.070 1.00 22.50 C ATOM 45 CG1 ILE A 11 1.805 -1.485 -7.355 1.00 22.25 C ATOM 46 CG2 ILE A 11 0.630 -2.130 -9.475 1.00 20.20 C ATOM 47 CD1 ILE A 11 1.013 -0.221 -7.105 1.00 35.30 C ATOM 0 H ILE A 11 0.613 -3.961 -5.658 1.00 62.23 H new ATOM 0 HA ILE A 11 -0.958 -2.098 -7.318 1.00 13.44 H new ATOM 0 HB ILE A 11 1.631 -3.466 -8.147 1.00 22.50 H new ATOM 0 HG12 ILE A 11 2.163 -1.874 -6.402 1.00 22.25 H new ATOM 0 HG13 ILE A 11 2.685 -1.241 -7.951 1.00 22.25 H new ATOM 0 HG21 ILE A 11 1.534 -1.883 -10.032 1.00 20.20 H new ATOM 0 HG22 ILE A 11 0.100 -2.936 -9.983 1.00 20.20 H new ATOM 0 HG23 ILE A 11 -0.013 -1.252 -9.418 1.00 20.20 H new ATOM 0 HD11 ILE A 11 1.643 0.508 -6.595 1.00 35.30 H new ATOM 0 HD12 ILE A 11 0.677 0.192 -8.056 1.00 35.30 H new ATOM 0 HD13 ILE A 11 0.148 -0.451 -6.483 1.00 35.30 H new ATOM 59 N LYS A 12 -1.844 -3.958 -8.782 1.00 12.03 N ATOM 60 CA LYS A 12 -2.537 -5.059 -9.440 1.00 40.13 C ATOM 61 C LYS A 12 -2.279 -5.042 -10.944 1.00 34.13 C ATOM 62 O LYS A 12 -2.560 -4.052 -11.620 1.00 1.23 O ATOM 63 CB LYS A 12 -4.041 -4.978 -9.169 1.00 1.41 C ATOM 64 CG LYS A 12 -4.695 -6.332 -8.958 1.00 30.00 C ATOM 65 CD LYS A 12 -6.167 -6.305 -9.334 1.00 30.01 C ATOM 66 CE LYS A 12 -7.029 -6.946 -8.257 1.00 72.02 C ATOM 67 NZ LYS A 12 -8.440 -7.114 -8.703 1.00 50.42 N ATOM 0 H LYS A 12 -2.145 -3.031 -9.083 1.00 12.03 H new ATOM 0 HA LYS A 12 -2.151 -5.993 -9.033 1.00 40.13 H new ATOM 0 HB2 LYS A 12 -4.210 -4.361 -8.286 1.00 1.41 H new ATOM 0 HB3 LYS A 12 -4.526 -4.476 -10.006 1.00 1.41 H new ATOM 0 HG2 LYS A 12 -4.179 -7.083 -9.556 1.00 30.00 H new ATOM 0 HG3 LYS A 12 -4.590 -6.629 -7.914 1.00 30.00 H new ATOM 0 HD2 LYS A 12 -6.485 -5.274 -9.490 1.00 30.01 H new ATOM 0 HD3 LYS A 12 -6.312 -6.830 -10.278 1.00 30.01 H new ATOM 0 HE2 LYS A 12 -6.614 -7.918 -7.991 1.00 72.02 H new ATOM 0 HE3 LYS A 12 -7.003 -6.331 -7.357 1.00 72.02 H new ATOM 0 HZ1 LYS A 12 -8.995 -7.554 -7.941 1.00 50.42 H new ATOM 0 HZ2 LYS A 12 -8.844 -6.184 -8.933 1.00 50.42 H new ATOM 0 HZ3 LYS A 12 -8.467 -7.722 -9.547 1.00 50.42 H new ATOM 81 N ILE A 13 -1.746 -6.144 -11.460 1.00 41.13 N ATOM 82 CA ILE A 13 -1.454 -6.256 -12.884 1.00 3.51 C ATOM 83 C ILE A 13 -2.334 -7.311 -13.545 1.00 22.14 C ATOM 84 O ILE A 13 -2.235 -8.499 -13.237 1.00 1.14 O ATOM 85 CB ILE A 13 0.025 -6.610 -13.129 1.00 40.40 C ATOM 86 CG1 ILE A 13 0.280 -6.823 -14.623 1.00 2.25 C ATOM 87 CG2 ILE A 13 0.411 -7.851 -12.338 1.00 13.52 C ATOM 88 CD1 ILE A 13 1.728 -7.112 -14.953 1.00 33.31 C ATOM 0 H ILE A 13 -1.508 -6.972 -10.914 1.00 41.13 H new ATOM 0 HA ILE A 13 -1.664 -5.282 -13.327 1.00 3.51 H new ATOM 0 HB ILE A 13 0.643 -5.779 -12.789 1.00 40.40 H new ATOM 0 HG12 ILE A 13 -0.337 -7.650 -14.974 1.00 2.25 H new ATOM 0 HG13 ILE A 13 -0.038 -5.934 -15.168 1.00 2.25 H new ATOM 0 HG21 ILE A 13 1.459 -8.088 -12.522 1.00 13.52 H new ATOM 0 HG22 ILE A 13 0.262 -7.665 -11.274 1.00 13.52 H new ATOM 0 HG23 ILE A 13 -0.211 -8.690 -12.651 1.00 13.52 H new ATOM 0 HD11 ILE A 13 1.835 -7.252 -16.029 1.00 33.31 H new ATOM 0 HD12 ILE A 13 2.348 -6.275 -14.633 1.00 33.31 H new ATOM 0 HD13 ILE A 13 2.045 -8.018 -14.436 1.00 33.31 H new ATOM 100 N VAL A 14 -3.194 -6.870 -14.457 1.00 13.23 N ATOM 101 CA VAL A 14 -4.091 -7.776 -15.164 1.00 65.51 C ATOM 102 C VAL A 14 -3.572 -8.079 -16.565 1.00 70.34 C ATOM 103 O VAL A 14 -3.584 -7.229 -17.456 1.00 23.12 O ATOM 104 CB VAL A 14 -5.512 -7.192 -15.270 1.00 4.04 C ATOM 105 CG1 VAL A 14 -5.469 -5.785 -15.847 1.00 32.41 C ATOM 106 CG2 VAL A 14 -6.398 -8.097 -16.112 1.00 51.54 C ATOM 0 H VAL A 14 -3.289 -5.890 -14.724 1.00 13.23 H new ATOM 0 HA VAL A 14 -4.129 -8.699 -14.585 1.00 65.51 H new ATOM 0 HB VAL A 14 -5.939 -7.135 -14.269 1.00 4.04 H new ATOM 0 HG11 VAL A 14 -6.482 -5.388 -15.915 1.00 32.41 H new ATOM 0 HG12 VAL A 14 -4.871 -5.144 -15.199 1.00 32.41 H new ATOM 0 HG13 VAL A 14 -5.023 -5.813 -16.841 1.00 32.41 H new ATOM 0 HG21 VAL A 14 -7.398 -7.669 -16.176 1.00 51.54 H new ATOM 0 HG22 VAL A 14 -5.977 -8.189 -17.113 1.00 51.54 H new ATOM 0 HG23 VAL A 14 -6.454 -9.083 -15.651 1.00 51.54 H new ATOM 116 N PRO A 15 -3.106 -9.321 -16.768 1.00 42.53 N ATOM 117 CA PRO A 15 -2.575 -9.765 -18.060 1.00 61.33 C ATOM 118 C PRO A 15 -3.663 -9.895 -19.120 1.00 71.35 C ATOM 119 O PRO A 15 -4.729 -10.454 -18.864 1.00 14.53 O ATOM 120 CB PRO A 15 -1.971 -11.136 -17.743 1.00 12.32 C ATOM 121 CG PRO A 15 -2.725 -11.615 -16.550 1.00 42.43 C ATOM 122 CD PRO A 15 -3.062 -10.385 -15.752 1.00 64.42 C ATOM 0 HA PRO A 15 -1.860 -9.054 -18.473 1.00 61.33 H new ATOM 0 HB2 PRO A 15 -2.082 -11.821 -18.583 1.00 12.32 H new ATOM 0 HB3 PRO A 15 -0.904 -11.060 -17.533 1.00 12.32 H new ATOM 0 HG2 PRO A 15 -3.629 -12.147 -16.847 1.00 42.43 H new ATOM 0 HG3 PRO A 15 -2.125 -12.309 -15.962 1.00 42.43 H new ATOM 0 HD2 PRO A 15 -4.017 -10.489 -15.237 1.00 64.42 H new ATOM 0 HD3 PRO A 15 -2.310 -10.182 -14.990 1.00 64.42 H new ATOM 130 N ALA A 16 -3.387 -9.377 -20.312 1.00 45.34 N ATOM 131 CA ALA A 16 -4.341 -9.437 -21.412 1.00 73.41 C ATOM 132 C ALA A 16 -4.077 -10.646 -22.303 1.00 25.40 C ATOM 133 O ALA A 16 -3.870 -10.508 -23.509 1.00 31.42 O ATOM 134 CB ALA A 16 -4.287 -8.155 -22.229 1.00 72.14 C ATOM 0 H ALA A 16 -2.509 -8.910 -20.541 1.00 45.34 H new ATOM 0 HA ALA A 16 -5.340 -9.542 -20.988 1.00 73.41 H new ATOM 0 HB1 ALA A 16 -5.005 -8.214 -23.047 1.00 72.14 H new ATOM 0 HB2 ALA A 16 -4.533 -7.306 -21.591 1.00 72.14 H new ATOM 0 HB3 ALA A 16 -3.284 -8.024 -22.635 1.00 72.14 H new ATOM 140 N VAL A 17 -4.083 -11.832 -21.701 1.00 51.25 N ATOM 141 CA VAL A 17 -3.844 -13.066 -22.441 1.00 0.53 C ATOM 142 C VAL A 17 -4.025 -14.286 -21.546 1.00 24.34 C ATOM 143 O VAL A 17 -3.846 -14.210 -20.331 1.00 33.23 O ATOM 144 CB VAL A 17 -2.428 -13.091 -23.046 1.00 60.52 C ATOM 145 CG1 VAL A 17 -1.379 -13.188 -21.949 1.00 34.34 C ATOM 146 CG2 VAL A 17 -2.291 -14.244 -24.029 1.00 65.14 C ATOM 0 H VAL A 17 -4.251 -11.964 -20.704 1.00 51.25 H new ATOM 0 HA VAL A 17 -4.576 -13.100 -23.248 1.00 0.53 H new ATOM 0 HB VAL A 17 -2.266 -12.159 -23.588 1.00 60.52 H new ATOM 0 HG11 VAL A 17 -0.385 -13.204 -22.396 1.00 34.34 H new ATOM 0 HG12 VAL A 17 -1.465 -12.327 -21.287 1.00 34.34 H new ATOM 0 HG13 VAL A 17 -1.534 -14.103 -21.377 1.00 34.34 H new ATOM 0 HG21 VAL A 17 -1.285 -14.248 -24.448 1.00 65.14 H new ATOM 0 HG22 VAL A 17 -2.472 -15.186 -23.512 1.00 65.14 H new ATOM 0 HG23 VAL A 17 -3.018 -14.125 -24.833 1.00 65.14 H new ATOM 156 N GLY A 18 -4.379 -15.413 -22.155 1.00 75.43 N ATOM 157 CA GLY A 18 -4.578 -16.636 -21.398 1.00 51.54 C ATOM 158 C GLY A 18 -5.523 -16.446 -20.229 1.00 14.13 C ATOM 159 O GLY A 18 -5.090 -16.347 -19.081 1.00 75.34 O ATOM 0 H GLY A 18 -4.532 -15.502 -23.160 1.00 75.43 H new ATOM 0 HA2 GLY A 18 -4.972 -17.408 -22.058 1.00 51.54 H new ATOM 0 HA3 GLY A 18 -3.616 -16.992 -21.030 1.00 51.54 H new ATOM 163 N GLY A 19 -6.820 -16.393 -20.520 1.00 3.13 N ATOM 164 CA GLY A 19 -7.808 -16.212 -19.473 1.00 12.12 C ATOM 165 C GLY A 19 -7.889 -14.776 -18.993 1.00 63.23 C ATOM 166 O GLY A 19 -8.945 -14.150 -19.063 1.00 12.55 O ATOM 0 H GLY A 19 -7.203 -16.472 -21.462 1.00 3.13 H new ATOM 0 HA2 GLY A 19 -8.785 -16.524 -19.842 1.00 12.12 H new ATOM 0 HA3 GLY A 19 -7.563 -16.860 -18.631 1.00 12.12 H new ATOM 170 N GLY A 20 -6.768 -14.254 -18.503 1.00 55.55 N ATOM 171 CA GLY A 20 -6.739 -12.887 -18.016 1.00 23.01 C ATOM 172 C GLY A 20 -7.053 -12.793 -16.536 1.00 40.50 C ATOM 173 O GLY A 20 -8.138 -12.357 -16.152 1.00 11.35 O ATOM 0 H GLY A 20 -5.881 -14.753 -18.435 1.00 55.55 H new ATOM 0 HA2 GLY A 20 -5.754 -12.458 -18.203 1.00 23.01 H new ATOM 0 HA3 GLY A 20 -7.459 -12.290 -18.576 1.00 23.01 H new ATOM 177 N SER A 21 -6.102 -13.203 -15.703 1.00 60.42 N ATOM 178 CA SER A 21 -6.285 -13.168 -14.257 1.00 21.30 C ATOM 179 C SER A 21 -5.310 -12.189 -13.610 1.00 20.32 C ATOM 180 O SER A 21 -4.098 -12.253 -13.816 1.00 41.31 O ATOM 181 CB SER A 21 -6.092 -14.565 -13.663 1.00 73.02 C ATOM 182 OG SER A 21 -4.882 -15.148 -14.113 1.00 44.02 O ATOM 0 H SER A 21 -5.197 -13.563 -16.005 1.00 60.42 H new ATOM 0 HA SER A 21 -7.301 -12.831 -14.052 1.00 21.30 H new ATOM 0 HB2 SER A 21 -6.087 -14.503 -12.575 1.00 73.02 H new ATOM 0 HB3 SER A 21 -6.932 -15.201 -13.942 1.00 73.02 H new ATOM 0 HG SER A 21 -4.202 -14.450 -14.217 1.00 44.02 H new ATOM 188 N PRO A 22 -5.851 -11.261 -12.807 1.00 43.30 N ATOM 189 CA PRO A 22 -5.048 -10.250 -12.112 1.00 64.32 C ATOM 190 C PRO A 22 -4.192 -10.852 -11.003 1.00 31.23 C ATOM 191 O PRO A 22 -4.589 -11.823 -10.356 1.00 44.13 O ATOM 192 CB PRO A 22 -6.098 -9.305 -11.524 1.00 52.02 C ATOM 193 CG PRO A 22 -7.322 -10.142 -11.379 1.00 20.00 C ATOM 194 CD PRO A 22 -7.288 -11.126 -12.515 1.00 62.15 C ATOM 0 HA PRO A 22 -4.342 -9.760 -12.782 1.00 64.32 H new ATOM 0 HB2 PRO A 22 -5.776 -8.904 -10.563 1.00 52.02 H new ATOM 0 HB3 PRO A 22 -6.276 -8.453 -12.181 1.00 52.02 H new ATOM 0 HG2 PRO A 22 -7.332 -10.656 -10.418 1.00 20.00 H new ATOM 0 HG3 PRO A 22 -8.222 -9.528 -11.421 1.00 20.00 H new ATOM 0 HD2 PRO A 22 -7.732 -12.081 -12.233 1.00 62.15 H new ATOM 0 HD3 PRO A 22 -7.841 -10.760 -13.380 1.00 62.15 H new ATOM 202 N LEU A 23 -3.018 -10.271 -10.786 1.00 44.42 N ATOM 203 CA LEU A 23 -2.105 -10.750 -9.753 1.00 54.44 C ATOM 204 C LEU A 23 -1.670 -9.609 -8.839 1.00 51.45 C ATOM 205 O LEU A 23 -1.463 -8.483 -9.292 1.00 61.42 O ATOM 206 CB LEU A 23 -0.879 -11.403 -10.392 1.00 24.21 C ATOM 207 CG LEU A 23 -0.533 -12.809 -9.898 1.00 53.50 C ATOM 208 CD1 LEU A 23 0.007 -13.657 -11.038 1.00 61.34 C ATOM 209 CD2 LEU A 23 0.472 -12.741 -8.758 1.00 24.10 C ATOM 0 H LEU A 23 -2.675 -9.467 -11.312 1.00 44.42 H new ATOM 0 HA LEU A 23 -2.632 -11.491 -9.152 1.00 54.44 H new ATOM 0 HB2 LEU A 23 -1.036 -11.447 -11.470 1.00 24.21 H new ATOM 0 HB3 LEU A 23 -0.018 -10.757 -10.221 1.00 24.21 H new ATOM 0 HG LEU A 23 -1.444 -13.277 -9.525 1.00 53.50 H new ATOM 0 HD11 LEU A 23 0.248 -14.654 -10.668 1.00 61.34 H new ATOM 0 HD12 LEU A 23 -0.746 -13.733 -11.823 1.00 61.34 H new ATOM 0 HD13 LEU A 23 0.907 -13.193 -11.442 1.00 61.34 H new ATOM 0 HD21 LEU A 23 0.707 -13.750 -8.419 1.00 24.10 H new ATOM 0 HD22 LEU A 23 1.383 -12.254 -9.105 1.00 24.10 H new ATOM 0 HD23 LEU A 23 0.047 -12.170 -7.932 1.00 24.10 H new ATOM 221 N GLU A 24 -1.532 -9.908 -7.552 1.00 22.43 N ATOM 222 CA GLU A 24 -1.120 -8.907 -6.575 1.00 65.21 C ATOM 223 C GLU A 24 0.384 -8.979 -6.323 1.00 71.45 C ATOM 224 O GLU A 24 0.928 -10.049 -6.048 1.00 21.44 O ATOM 225 CB GLU A 24 -1.878 -9.103 -5.260 1.00 43.54 C ATOM 226 CG GLU A 24 -3.372 -8.853 -5.377 1.00 30.33 C ATOM 227 CD GLU A 24 -4.199 -9.987 -4.802 1.00 70.14 C ATOM 228 OE1 GLU A 24 -3.824 -10.512 -3.733 1.00 3.42 O ATOM 229 OE2 GLU A 24 -5.221 -10.350 -5.422 1.00 24.11 O ATOM 0 H GLU A 24 -1.699 -10.835 -7.161 1.00 22.43 H new ATOM 0 HA GLU A 24 -1.357 -7.923 -6.980 1.00 65.21 H new ATOM 0 HB2 GLU A 24 -1.715 -10.120 -4.904 1.00 43.54 H new ATOM 0 HB3 GLU A 24 -1.463 -8.432 -4.508 1.00 43.54 H new ATOM 0 HG2 GLU A 24 -3.623 -7.927 -4.861 1.00 30.33 H new ATOM 0 HG3 GLU A 24 -3.632 -8.714 -6.426 1.00 30.33 H new ATOM 236 N LEU A 25 1.050 -7.834 -6.421 1.00 55.01 N ATOM 237 CA LEU A 25 2.491 -7.766 -6.205 1.00 14.31 C ATOM 238 C LEU A 25 2.873 -6.475 -5.487 1.00 30.54 C ATOM 239 O LEU A 25 2.194 -5.458 -5.616 1.00 50.45 O ATOM 240 CB LEU A 25 3.231 -7.858 -7.540 1.00 25.41 C ATOM 241 CG LEU A 25 4.158 -9.063 -7.711 1.00 75.04 C ATOM 242 CD1 LEU A 25 5.142 -9.148 -6.555 1.00 60.45 C ATOM 243 CD2 LEU A 25 3.348 -10.347 -7.821 1.00 12.23 C ATOM 0 H LEU A 25 0.615 -6.940 -6.649 1.00 55.01 H new ATOM 0 HA LEU A 25 2.780 -8.609 -5.577 1.00 14.31 H new ATOM 0 HB2 LEU A 25 2.493 -7.876 -8.342 1.00 25.41 H new ATOM 0 HB3 LEU A 25 3.820 -6.950 -7.670 1.00 25.41 H new ATOM 0 HG LEU A 25 4.724 -8.934 -8.633 1.00 75.04 H new ATOM 0 HD11 LEU A 25 5.793 -10.011 -6.694 1.00 60.45 H new ATOM 0 HD12 LEU A 25 5.745 -8.240 -6.523 1.00 60.45 H new ATOM 0 HD13 LEU A 25 4.595 -9.254 -5.618 1.00 60.45 H new ATOM 0 HD21 LEU A 25 4.023 -11.194 -7.942 1.00 12.23 H new ATOM 0 HD22 LEU A 25 2.755 -10.482 -6.916 1.00 12.23 H new ATOM 0 HD23 LEU A 25 2.684 -10.286 -8.684 1.00 12.23 H new ATOM 255 N GLU A 26 3.965 -6.526 -4.731 1.00 25.31 N ATOM 256 CA GLU A 26 4.438 -5.360 -3.994 1.00 23.54 C ATOM 257 C GLU A 26 5.597 -4.688 -4.724 1.00 23.11 C ATOM 258 O GLU A 26 6.712 -5.210 -4.756 1.00 51.31 O ATOM 259 CB GLU A 26 4.875 -5.764 -2.584 1.00 11.34 C ATOM 260 CG GLU A 26 3.966 -5.231 -1.489 1.00 53.31 C ATOM 261 CD GLU A 26 4.492 -5.526 -0.098 1.00 43.31 C ATOM 262 OE1 GLU A 26 5.705 -5.330 0.130 1.00 35.44 O ATOM 263 OE2 GLU A 26 3.693 -5.952 0.761 1.00 1.15 O ATOM 0 H GLU A 26 4.538 -7.361 -4.613 1.00 25.31 H new ATOM 0 HA GLU A 26 3.615 -4.649 -3.923 1.00 23.54 H new ATOM 0 HB2 GLU A 26 4.907 -6.852 -2.520 1.00 11.34 H new ATOM 0 HB3 GLU A 26 5.889 -5.404 -2.410 1.00 11.34 H new ATOM 0 HG2 GLU A 26 3.852 -4.154 -1.609 1.00 53.31 H new ATOM 0 HG3 GLU A 26 2.975 -5.671 -1.599 1.00 53.31 H new ATOM 270 N VAL A 27 5.325 -3.526 -5.310 1.00 64.52 N ATOM 271 CA VAL A 27 6.344 -2.781 -6.040 1.00 62.51 C ATOM 272 C VAL A 27 6.199 -1.282 -5.809 1.00 4.50 C ATOM 273 O VAL A 27 5.140 -0.805 -5.404 1.00 34.12 O ATOM 274 CB VAL A 27 6.272 -3.066 -7.552 1.00 65.11 C ATOM 275 CG1 VAL A 27 7.569 -2.658 -8.235 1.00 0.34 C ATOM 276 CG2 VAL A 27 5.968 -4.535 -7.803 1.00 71.24 C ATOM 0 H VAL A 27 4.408 -3.080 -5.293 1.00 64.52 H new ATOM 0 HA VAL A 27 7.311 -3.112 -5.661 1.00 62.51 H new ATOM 0 HB VAL A 27 5.463 -2.473 -7.978 1.00 65.11 H new ATOM 0 HG11 VAL A 27 7.499 -2.867 -9.303 1.00 0.34 H new ATOM 0 HG12 VAL A 27 7.740 -1.592 -8.084 1.00 0.34 H new ATOM 0 HG13 VAL A 27 8.398 -3.222 -7.808 1.00 0.34 H new ATOM 0 HG21 VAL A 27 5.921 -4.719 -8.876 1.00 71.24 H new ATOM 0 HG22 VAL A 27 6.754 -5.149 -7.364 1.00 71.24 H new ATOM 0 HG23 VAL A 27 5.011 -4.791 -7.349 1.00 71.24 H new ATOM 286 N ALA A 28 7.272 -0.542 -6.070 1.00 43.10 N ATOM 287 CA ALA A 28 7.264 0.905 -5.893 1.00 62.10 C ATOM 288 C ALA A 28 7.389 1.623 -7.233 1.00 32.43 C ATOM 289 O ALA A 28 8.418 1.559 -7.905 1.00 63.10 O ATOM 290 CB ALA A 28 8.388 1.329 -4.959 1.00 32.44 C ATOM 0 H ALA A 28 8.158 -0.921 -6.405 1.00 43.10 H new ATOM 0 HA ALA A 28 6.310 1.186 -5.447 1.00 62.10 H new ATOM 0 HB1 ALA A 28 8.370 2.412 -4.836 1.00 32.44 H new ATOM 0 HB2 ALA A 28 8.254 0.851 -3.988 1.00 32.44 H new ATOM 0 HB3 ALA A 28 9.346 1.028 -5.383 1.00 32.44 H new ATOM 296 N PRO A 29 6.316 2.322 -7.632 1.00 44.12 N ATOM 297 CA PRO A 29 6.282 3.065 -8.895 1.00 55.14 C ATOM 298 C PRO A 29 7.193 4.287 -8.874 1.00 51.52 C ATOM 299 O PRO A 29 7.461 4.891 -9.912 1.00 12.41 O ATOM 300 CB PRO A 29 4.817 3.492 -9.015 1.00 55.52 C ATOM 301 CG PRO A 29 4.316 3.529 -7.612 1.00 65.54 C ATOM 302 CD PRO A 29 5.055 2.442 -6.881 1.00 63.13 C ATOM 0 HA PRO A 29 6.635 2.463 -9.732 1.00 55.14 H new ATOM 0 HB2 PRO A 29 4.727 4.467 -9.493 1.00 55.52 H new ATOM 0 HB3 PRO A 29 4.247 2.787 -9.620 1.00 55.52 H new ATOM 0 HG2 PRO A 29 4.502 4.502 -7.157 1.00 65.54 H new ATOM 0 HG3 PRO A 29 3.240 3.361 -7.577 1.00 65.54 H new ATOM 0 HD2 PRO A 29 5.232 2.707 -5.839 1.00 63.13 H new ATOM 0 HD3 PRO A 29 4.496 1.506 -6.881 1.00 63.13 H new ATOM 310 N ASN A 30 7.667 4.646 -7.685 1.00 53.13 N ATOM 311 CA ASN A 30 8.549 5.797 -7.530 1.00 14.24 C ATOM 312 C ASN A 30 10.005 5.401 -7.755 1.00 53.30 C ATOM 313 O ASN A 30 10.921 6.154 -7.427 1.00 1.21 O ATOM 314 CB ASN A 30 8.384 6.407 -6.136 1.00 41.11 C ATOM 315 CG ASN A 30 9.111 7.731 -5.995 1.00 31.43 C ATOM 316 OD1 ASN A 30 8.572 8.771 -6.620 1.00 43.21 O flip ATOM 317 ND2 ASN A 30 10.144 7.816 -5.331 1.00 21.01 N flip ATOM 0 H ASN A 30 7.455 4.157 -6.815 1.00 53.13 H new ATOM 0 HA ASN A 30 8.273 6.539 -8.279 1.00 14.24 H new ATOM 0 HB2 ASN A 30 7.324 6.554 -5.930 1.00 41.11 H new ATOM 0 HB3 ASN A 30 8.760 5.708 -5.389 1.00 41.11 H new ATOM 0 HD21 ASN A 30 10.522 6.990 -4.868 1.00 21.01 H new ATOM 0 HD22 ASN A 30 10.622 8.713 -5.244 1.00 21.01 H new ATOM 324 N ALA A 31 10.209 4.215 -8.318 1.00 23.12 N ATOM 325 CA ALA A 31 11.553 3.720 -8.590 1.00 20.13 C ATOM 326 C ALA A 31 11.869 3.780 -10.080 1.00 50.03 C ATOM 327 O ALA A 31 12.577 4.677 -10.540 1.00 72.45 O ATOM 328 CB ALA A 31 11.706 2.297 -8.073 1.00 1.13 C ATOM 0 H ALA A 31 9.461 3.579 -8.595 1.00 23.12 H new ATOM 0 HA ALA A 31 12.262 4.363 -8.069 1.00 20.13 H new ATOM 0 HB1 ALA A 31 12.714 1.940 -8.283 1.00 1.13 H new ATOM 0 HB2 ALA A 31 11.532 2.280 -6.997 1.00 1.13 H new ATOM 0 HB3 ALA A 31 10.982 1.650 -8.568 1.00 1.13 H new ATOM 334 N THR A 32 11.340 2.819 -10.832 1.00 3.21 N ATOM 335 CA THR A 32 11.568 2.762 -12.270 1.00 75.24 C ATOM 336 C THR A 32 10.469 1.969 -12.969 1.00 52.44 C ATOM 337 O THR A 32 9.972 0.976 -12.438 1.00 64.24 O ATOM 338 CB THR A 32 12.932 2.126 -12.599 1.00 14.13 C ATOM 339 OG1 THR A 32 13.657 1.871 -11.391 1.00 12.04 O ATOM 340 CG2 THR A 32 13.749 3.035 -13.504 1.00 55.42 C ATOM 0 H THR A 32 10.751 2.070 -10.468 1.00 3.21 H new ATOM 0 HA THR A 32 11.559 3.790 -12.632 1.00 75.24 H new ATOM 0 HB THR A 32 12.753 1.186 -13.121 1.00 14.13 H new ATOM 0 HG1 THR A 32 14.522 1.465 -11.608 1.00 12.04 H new ATOM 0 HG21 THR A 32 14.708 2.565 -13.722 1.00 55.42 H new ATOM 0 HG22 THR A 32 13.207 3.204 -14.435 1.00 55.42 H new ATOM 0 HG23 THR A 32 13.918 3.989 -13.004 1.00 55.42 H new ATOM 348 N VAL A 33 10.093 2.415 -14.164 1.00 62.53 N ATOM 349 CA VAL A 33 9.054 1.745 -14.937 1.00 52.33 C ATOM 350 C VAL A 33 9.522 0.376 -15.417 1.00 54.14 C ATOM 351 O VAL A 33 8.810 -0.618 -15.280 1.00 61.01 O ATOM 352 CB VAL A 33 8.631 2.587 -16.156 1.00 15.34 C ATOM 353 CG1 VAL A 33 7.577 1.854 -16.972 1.00 23.21 C ATOM 354 CG2 VAL A 33 8.119 3.949 -15.710 1.00 33.21 C ATOM 0 H VAL A 33 10.492 3.237 -14.617 1.00 62.53 H new ATOM 0 HA VAL A 33 8.197 1.621 -14.275 1.00 52.33 H new ATOM 0 HB VAL A 33 9.504 2.741 -16.790 1.00 15.34 H new ATOM 0 HG11 VAL A 33 7.291 2.464 -17.829 1.00 23.21 H new ATOM 0 HG12 VAL A 33 7.983 0.905 -17.322 1.00 23.21 H new ATOM 0 HG13 VAL A 33 6.701 1.667 -16.351 1.00 23.21 H new ATOM 0 HG21 VAL A 33 7.825 4.531 -16.583 1.00 33.21 H new ATOM 0 HG22 VAL A 33 7.258 3.817 -15.055 1.00 33.21 H new ATOM 0 HG23 VAL A 33 8.907 4.476 -15.172 1.00 33.21 H new ATOM 364 N GLY A 34 10.725 0.332 -15.982 1.00 31.03 N ATOM 365 CA GLY A 34 11.268 -0.921 -16.474 1.00 0.44 C ATOM 366 C GLY A 34 11.533 -1.914 -15.360 1.00 64.53 C ATOM 367 O GLY A 34 11.407 -3.123 -15.555 1.00 64.00 O ATOM 0 H GLY A 34 11.333 1.141 -16.108 1.00 31.03 H new ATOM 0 HA2 GLY A 34 10.572 -1.359 -17.189 1.00 0.44 H new ATOM 0 HA3 GLY A 34 12.196 -0.725 -17.011 1.00 0.44 H new ATOM 371 N ALA A 35 11.904 -1.405 -14.190 1.00 53.11 N ATOM 372 CA ALA A 35 12.187 -2.256 -13.042 1.00 24.35 C ATOM 373 C ALA A 35 10.928 -2.970 -12.562 1.00 53.45 C ATOM 374 O ALA A 35 10.948 -4.170 -12.288 1.00 52.42 O ATOM 375 CB ALA A 35 12.793 -1.435 -11.913 1.00 20.33 C ATOM 0 H ALA A 35 12.016 -0.407 -14.013 1.00 53.11 H new ATOM 0 HA ALA A 35 12.906 -3.014 -13.353 1.00 24.35 H new ATOM 0 HB1 ALA A 35 12.999 -2.084 -11.062 1.00 20.33 H new ATOM 0 HB2 ALA A 35 13.722 -0.977 -12.254 1.00 20.33 H new ATOM 0 HB3 ALA A 35 12.093 -0.655 -11.614 1.00 20.33 H new ATOM 381 N VAL A 36 9.832 -2.223 -12.463 1.00 61.41 N ATOM 382 CA VAL A 36 8.563 -2.785 -12.017 1.00 55.22 C ATOM 383 C VAL A 36 8.005 -3.765 -13.043 1.00 31.53 C ATOM 384 O VAL A 36 7.570 -4.863 -12.694 1.00 74.13 O ATOM 385 CB VAL A 36 7.520 -1.681 -11.759 1.00 42.45 C ATOM 386 CG1 VAL A 36 6.194 -2.288 -11.327 1.00 24.01 C ATOM 387 CG2 VAL A 36 8.032 -0.699 -10.716 1.00 53.43 C ATOM 0 H VAL A 36 9.798 -1.228 -12.686 1.00 61.41 H new ATOM 0 HA VAL A 36 8.761 -3.313 -11.084 1.00 55.22 H new ATOM 0 HB VAL A 36 7.356 -1.136 -12.689 1.00 42.45 H new ATOM 0 HG11 VAL A 36 5.470 -1.492 -11.149 1.00 24.01 H new ATOM 0 HG12 VAL A 36 5.823 -2.948 -12.111 1.00 24.01 H new ATOM 0 HG13 VAL A 36 6.337 -2.860 -10.410 1.00 24.01 H new ATOM 0 HG21 VAL A 36 7.283 0.074 -10.546 1.00 53.43 H new ATOM 0 HG22 VAL A 36 8.226 -1.228 -9.783 1.00 53.43 H new ATOM 0 HG23 VAL A 36 8.954 -0.239 -11.071 1.00 53.43 H new ATOM 397 N ARG A 37 8.022 -3.362 -14.309 1.00 32.20 N ATOM 398 CA ARG A 37 7.517 -4.205 -15.386 1.00 61.30 C ATOM 399 C ARG A 37 8.309 -5.507 -15.474 1.00 52.33 C ATOM 400 O ARG A 37 7.742 -6.578 -15.693 1.00 20.03 O ATOM 401 CB ARG A 37 7.588 -3.461 -16.721 1.00 30.22 C ATOM 402 CG ARG A 37 7.179 -4.310 -17.914 1.00 13.44 C ATOM 403 CD ARG A 37 7.355 -3.554 -19.221 1.00 65.25 C ATOM 404 NE ARG A 37 8.735 -3.117 -19.419 1.00 12.32 N ATOM 405 CZ ARG A 37 9.735 -3.944 -19.701 1.00 71.13 C ATOM 406 NH1 ARG A 37 9.510 -5.245 -19.819 1.00 71.44 N ATOM 407 NH2 ARG A 37 10.963 -3.470 -19.867 1.00 21.12 N ATOM 0 H ARG A 37 8.380 -2.457 -14.614 1.00 32.20 H new ATOM 0 HA ARG A 37 6.477 -4.446 -15.167 1.00 61.30 H new ATOM 0 HB2 ARG A 37 6.944 -2.583 -16.673 1.00 30.22 H new ATOM 0 HB3 ARG A 37 8.606 -3.102 -16.873 1.00 30.22 H new ATOM 0 HG2 ARG A 37 7.777 -5.221 -17.936 1.00 13.44 H new ATOM 0 HG3 ARG A 37 6.138 -4.614 -17.806 1.00 13.44 H new ATOM 0 HD2 ARG A 37 7.054 -4.192 -20.052 1.00 65.25 H new ATOM 0 HD3 ARG A 37 6.695 -2.686 -19.230 1.00 65.25 H new ATOM 0 HE ARG A 37 8.942 -2.122 -19.336 1.00 12.32 H new ATOM 0 HH11 ARG A 37 8.567 -5.613 -19.693 1.00 71.44 H new ATOM 0 HH12 ARG A 37 10.280 -5.878 -20.036 1.00 71.44 H new ATOM 0 HH21 ARG A 37 11.140 -2.469 -19.778 1.00 21.12 H new ATOM 0 HH22 ARG A 37 11.730 -4.106 -20.084 1.00 21.12 H new ATOM 421 N THR A 38 9.624 -5.406 -15.304 1.00 35.44 N ATOM 422 CA THR A 38 10.493 -6.574 -15.366 1.00 25.04 C ATOM 423 C THR A 38 10.285 -7.480 -14.157 1.00 52.14 C ATOM 424 O THR A 38 10.313 -8.705 -14.275 1.00 31.24 O ATOM 425 CB THR A 38 11.977 -6.166 -15.437 1.00 21.02 C ATOM 426 OG1 THR A 38 12.209 -5.363 -16.600 1.00 21.32 O ATOM 427 CG2 THR A 38 12.875 -7.394 -15.474 1.00 52.44 C ATOM 0 H THR A 38 10.110 -4.528 -15.122 1.00 35.44 H new ATOM 0 HA THR A 38 10.228 -7.117 -16.273 1.00 25.04 H new ATOM 0 HB THR A 38 12.216 -5.588 -14.544 1.00 21.02 H new ATOM 0 HG1 THR A 38 12.238 -4.417 -16.344 1.00 21.32 H new ATOM 0 HG21 THR A 38 13.918 -7.081 -15.524 1.00 52.44 H new ATOM 0 HG22 THR A 38 12.717 -7.987 -14.573 1.00 52.44 H new ATOM 0 HG23 THR A 38 12.634 -7.995 -16.351 1.00 52.44 H new ATOM 435 N LYS A 39 10.075 -6.870 -12.996 1.00 32.12 N ATOM 436 CA LYS A 39 9.859 -7.621 -11.765 1.00 30.12 C ATOM 437 C LYS A 39 8.585 -8.456 -11.853 1.00 3.21 C ATOM 438 O LYS A 39 8.575 -9.632 -11.488 1.00 42.42 O ATOM 439 CB LYS A 39 9.775 -6.669 -10.570 1.00 5.41 C ATOM 440 CG LYS A 39 10.113 -7.326 -9.243 1.00 73.30 C ATOM 441 CD LYS A 39 11.269 -6.625 -8.551 1.00 2.31 C ATOM 442 CE LYS A 39 12.611 -7.100 -9.087 1.00 52.34 C ATOM 443 NZ LYS A 39 13.747 -6.593 -8.268 1.00 74.40 N ATOM 0 H LYS A 39 10.050 -5.857 -12.881 1.00 32.12 H new ATOM 0 HA LYS A 39 10.705 -8.294 -11.627 1.00 30.12 H new ATOM 0 HB2 LYS A 39 10.454 -5.832 -10.735 1.00 5.41 H new ATOM 0 HB3 LYS A 39 8.768 -6.256 -10.515 1.00 5.41 H new ATOM 0 HG2 LYS A 39 9.237 -7.310 -8.595 1.00 73.30 H new ATOM 0 HG3 LYS A 39 10.368 -8.373 -9.409 1.00 73.30 H new ATOM 0 HD2 LYS A 39 11.180 -5.548 -8.693 1.00 2.31 H new ATOM 0 HD3 LYS A 39 11.218 -6.810 -7.478 1.00 2.31 H new ATOM 0 HE2 LYS A 39 12.631 -8.190 -9.101 1.00 52.34 H new ATOM 0 HE3 LYS A 39 12.729 -6.766 -10.118 1.00 52.34 H new ATOM 0 HZ1 LYS A 39 14.643 -6.939 -8.666 1.00 74.40 H new ATOM 0 HZ2 LYS A 39 13.743 -5.553 -8.275 1.00 74.40 H new ATOM 0 HZ3 LYS A 39 13.649 -6.933 -7.290 1.00 74.40 H new ATOM 457 N VAL A 40 7.513 -7.841 -12.341 1.00 15.23 N ATOM 458 CA VAL A 40 6.234 -8.528 -12.479 1.00 62.12 C ATOM 459 C VAL A 40 6.298 -9.592 -13.569 1.00 33.30 C ATOM 460 O VAL A 40 5.851 -10.723 -13.373 1.00 60.31 O ATOM 461 CB VAL A 40 5.099 -7.540 -12.807 1.00 74.50 C ATOM 462 CG1 VAL A 40 3.750 -8.242 -12.759 1.00 31.14 C ATOM 463 CG2 VAL A 40 5.128 -6.358 -11.850 1.00 65.32 C ATOM 0 H VAL A 40 7.504 -6.868 -12.648 1.00 15.23 H new ATOM 0 HA VAL A 40 6.025 -9.005 -11.521 1.00 62.12 H new ATOM 0 HB VAL A 40 5.250 -7.163 -13.818 1.00 74.50 H new ATOM 0 HG11 VAL A 40 2.960 -7.528 -12.993 1.00 31.14 H new ATOM 0 HG12 VAL A 40 3.735 -9.052 -13.488 1.00 31.14 H new ATOM 0 HG13 VAL A 40 3.587 -8.649 -11.761 1.00 31.14 H new ATOM 0 HG21 VAL A 40 4.319 -5.670 -12.097 1.00 65.32 H new ATOM 0 HG22 VAL A 40 5.002 -6.714 -10.828 1.00 65.32 H new ATOM 0 HG23 VAL A 40 6.084 -5.841 -11.939 1.00 65.32 H new ATOM 473 N CYS A 41 6.856 -9.223 -14.717 1.00 34.35 N ATOM 474 CA CYS A 41 6.978 -10.147 -15.839 1.00 53.41 C ATOM 475 C CYS A 41 7.728 -11.408 -15.426 1.00 23.50 C ATOM 476 O CYS A 41 7.311 -12.522 -15.741 1.00 72.35 O ATOM 477 CB CYS A 41 7.697 -9.470 -17.007 1.00 20.11 C ATOM 478 SG CYS A 41 6.588 -8.803 -18.270 1.00 4.11 S ATOM 0 H CYS A 41 7.231 -8.291 -14.895 1.00 34.35 H new ATOM 0 HA CYS A 41 5.974 -10.431 -16.155 1.00 53.41 H new ATOM 0 HB2 CYS A 41 8.316 -8.661 -16.619 1.00 20.11 H new ATOM 0 HB3 CYS A 41 8.369 -10.191 -17.473 1.00 20.11 H new ATOM 0 HG CYS A 41 6.366 -7.544 -18.032 1.00 4.11 H new ATOM 484 N ALA A 42 8.839 -11.225 -14.720 1.00 21.43 N ATOM 485 CA ALA A 42 9.648 -12.349 -14.263 1.00 51.22 C ATOM 486 C ALA A 42 8.876 -13.215 -13.274 1.00 12.14 C ATOM 487 O ALA A 42 8.957 -14.442 -13.314 1.00 32.11 O ATOM 488 CB ALA A 42 10.939 -11.848 -13.634 1.00 3.04 C ATOM 0 H ALA A 42 9.200 -10.309 -14.452 1.00 21.43 H new ATOM 0 HA ALA A 42 9.893 -12.964 -15.129 1.00 51.22 H new ATOM 0 HB1 ALA A 42 11.533 -12.697 -13.297 1.00 3.04 H new ATOM 0 HB2 ALA A 42 11.505 -11.278 -14.371 1.00 3.04 H new ATOM 0 HB3 ALA A 42 10.705 -11.209 -12.783 1.00 3.04 H new ATOM 494 N MET A 43 8.128 -12.568 -12.386 1.00 2.43 N ATOM 495 CA MET A 43 7.341 -13.280 -11.386 1.00 2.12 C ATOM 496 C MET A 43 6.338 -14.217 -12.050 1.00 54.14 C ATOM 497 O MET A 43 5.982 -15.257 -11.496 1.00 21.12 O ATOM 498 CB MET A 43 6.608 -12.288 -10.481 1.00 3.31 C ATOM 499 CG MET A 43 6.989 -12.407 -9.014 1.00 45.22 C ATOM 500 SD MET A 43 8.708 -11.957 -8.704 1.00 71.04 S ATOM 501 CE MET A 43 8.886 -12.457 -6.994 1.00 34.12 C ATOM 0 H MET A 43 8.050 -11.552 -12.339 1.00 2.43 H new ATOM 0 HA MET A 43 8.023 -13.877 -10.781 1.00 2.12 H new ATOM 0 HB2 MET A 43 6.819 -11.274 -10.821 1.00 3.31 H new ATOM 0 HB3 MET A 43 5.534 -12.442 -10.582 1.00 3.31 H new ATOM 0 HG2 MET A 43 6.337 -11.766 -8.420 1.00 45.22 H new ATOM 0 HG3 MET A 43 6.820 -13.431 -8.681 1.00 45.22 H new ATOM 0 HE1 MET A 43 9.900 -12.242 -6.656 1.00 34.12 H new ATOM 0 HE2 MET A 43 8.174 -11.908 -6.378 1.00 34.12 H new ATOM 0 HE3 MET A 43 8.693 -13.526 -6.906 1.00 34.12 H new ATOM 511 N LYS A 44 5.884 -13.842 -13.242 1.00 13.15 N ATOM 512 CA LYS A 44 4.922 -14.649 -13.983 1.00 13.40 C ATOM 513 C LYS A 44 5.617 -15.464 -15.068 1.00 63.30 C ATOM 514 O LYS A 44 5.005 -16.324 -15.702 1.00 53.31 O ATOM 515 CB LYS A 44 3.851 -13.753 -14.611 1.00 32.44 C ATOM 516 CG LYS A 44 3.311 -12.695 -13.664 1.00 65.01 C ATOM 517 CD LYS A 44 1.835 -12.431 -13.906 1.00 32.11 C ATOM 518 CE LYS A 44 1.582 -11.935 -15.321 1.00 74.23 C ATOM 519 NZ LYS A 44 0.698 -12.861 -16.084 1.00 3.55 N ATOM 0 H LYS A 44 6.167 -12.984 -13.715 1.00 13.15 H new ATOM 0 HA LYS A 44 4.448 -15.338 -13.284 1.00 13.40 H new ATOM 0 HB2 LYS A 44 4.269 -13.262 -15.490 1.00 32.44 H new ATOM 0 HB3 LYS A 44 3.025 -14.375 -14.956 1.00 32.44 H new ATOM 0 HG2 LYS A 44 3.460 -13.018 -12.634 1.00 65.01 H new ATOM 0 HG3 LYS A 44 3.873 -11.770 -13.792 1.00 65.01 H new ATOM 0 HD2 LYS A 44 1.268 -13.346 -13.733 1.00 32.11 H new ATOM 0 HD3 LYS A 44 1.474 -11.692 -13.190 1.00 32.11 H new ATOM 0 HE2 LYS A 44 1.125 -10.946 -15.283 1.00 74.23 H new ATOM 0 HE3 LYS A 44 2.533 -11.827 -15.844 1.00 74.23 H new ATOM 0 HZ1 LYS A 44 0.536 -12.479 -17.038 1.00 3.55 H new ATOM 0 HZ2 LYS A 44 1.153 -13.794 -16.157 1.00 3.55 H new ATOM 0 HZ3 LYS A 44 -0.212 -12.957 -15.590 1.00 3.55 H new ATOM 533 N LYS A 45 6.901 -15.191 -15.276 1.00 52.10 N ATOM 534 CA LYS A 45 7.682 -15.901 -16.282 1.00 55.22 C ATOM 535 C LYS A 45 7.134 -15.637 -17.681 1.00 61.24 C ATOM 536 O LYS A 45 6.801 -16.569 -18.414 1.00 73.35 O ATOM 537 CB LYS A 45 7.675 -17.404 -15.995 1.00 60.14 C ATOM 538 CG LYS A 45 8.003 -17.749 -14.553 1.00 73.50 C ATOM 539 CD LYS A 45 9.423 -17.347 -14.192 1.00 14.30 C ATOM 540 CE LYS A 45 10.444 -18.277 -14.827 1.00 25.52 C ATOM 541 NZ LYS A 45 11.804 -18.084 -14.251 1.00 20.23 N ATOM 0 H LYS A 45 7.423 -14.482 -14.761 1.00 52.10 H new ATOM 0 HA LYS A 45 8.707 -15.534 -16.237 1.00 55.22 H new ATOM 0 HB2 LYS A 45 6.693 -17.808 -16.242 1.00 60.14 H new ATOM 0 HB3 LYS A 45 8.396 -17.894 -16.650 1.00 60.14 H new ATOM 0 HG2 LYS A 45 7.301 -17.245 -13.889 1.00 73.50 H new ATOM 0 HG3 LYS A 45 7.876 -18.820 -14.396 1.00 73.50 H new ATOM 0 HD2 LYS A 45 9.607 -16.324 -14.520 1.00 14.30 H new ATOM 0 HD3 LYS A 45 9.542 -17.360 -13.109 1.00 14.30 H new ATOM 0 HE2 LYS A 45 10.132 -19.311 -14.683 1.00 25.52 H new ATOM 0 HE3 LYS A 45 10.477 -18.101 -15.902 1.00 25.52 H new ATOM 0 HZ1 LYS A 45 12.471 -18.736 -14.710 1.00 20.23 H new ATOM 0 HZ2 LYS A 45 12.113 -17.104 -14.411 1.00 20.23 H new ATOM 0 HZ3 LYS A 45 11.779 -18.277 -13.229 1.00 20.23 H new ATOM 555 N LEU A 46 7.045 -14.363 -18.046 1.00 63.15 N ATOM 556 CA LEU A 46 6.540 -13.977 -19.359 1.00 52.22 C ATOM 557 C LEU A 46 7.666 -13.450 -20.243 1.00 71.31 C ATOM 558 O LEU A 46 8.733 -13.064 -19.767 1.00 3.25 O ATOM 559 CB LEU A 46 5.450 -12.914 -19.215 1.00 54.51 C ATOM 560 CG LEU A 46 4.013 -13.393 -19.422 1.00 35.33 C ATOM 561 CD1 LEU A 46 3.400 -13.829 -18.100 1.00 12.54 C ATOM 562 CD2 LEU A 46 3.173 -12.300 -20.067 1.00 32.34 C ATOM 0 H LEU A 46 7.316 -13.580 -17.451 1.00 63.15 H new ATOM 0 HA LEU A 46 6.116 -14.863 -19.832 1.00 52.22 H new ATOM 0 HB2 LEU A 46 5.526 -12.477 -18.219 1.00 54.51 H new ATOM 0 HB3 LEU A 46 5.652 -12.116 -19.930 1.00 54.51 H new ATOM 0 HG LEU A 46 4.030 -14.252 -20.092 1.00 35.33 H new ATOM 0 HD11 LEU A 46 2.377 -14.167 -18.267 1.00 12.54 H new ATOM 0 HD12 LEU A 46 3.987 -14.645 -17.678 1.00 12.54 H new ATOM 0 HD13 LEU A 46 3.396 -12.988 -17.406 1.00 12.54 H new ATOM 0 HD21 LEU A 46 2.153 -12.659 -20.206 1.00 32.34 H new ATOM 0 HD22 LEU A 46 3.163 -11.421 -19.423 1.00 32.34 H new ATOM 0 HD23 LEU A 46 3.600 -12.036 -21.034 1.00 32.34 H new ATOM 574 N PRO A 47 7.424 -13.432 -21.562 1.00 52.23 N ATOM 575 CA PRO A 47 8.404 -12.952 -22.540 1.00 65.05 C ATOM 576 C PRO A 47 8.615 -11.444 -22.459 1.00 13.03 C ATOM 577 O PRO A 47 7.728 -10.651 -22.777 1.00 62.21 O ATOM 578 CB PRO A 47 7.780 -13.333 -23.885 1.00 52.30 C ATOM 579 CG PRO A 47 6.316 -13.396 -23.618 1.00 35.40 C ATOM 580 CD PRO A 47 6.174 -13.877 -22.200 1.00 73.44 C ATOM 0 HA PRO A 47 9.390 -13.386 -22.374 1.00 65.05 H new ATOM 0 HB2 PRO A 47 8.011 -12.594 -24.652 1.00 52.30 H new ATOM 0 HB3 PRO A 47 8.159 -14.291 -24.240 1.00 52.30 H new ATOM 0 HG2 PRO A 47 5.853 -12.417 -23.746 1.00 35.40 H new ATOM 0 HG3 PRO A 47 5.822 -14.076 -24.312 1.00 35.40 H new ATOM 0 HD2 PRO A 47 5.299 -13.444 -21.715 1.00 73.44 H new ATOM 0 HD3 PRO A 47 6.062 -14.960 -22.152 1.00 73.44 H new ATOM 588 N PRO A 48 9.816 -11.036 -22.022 1.00 53.14 N ATOM 589 CA PRO A 48 10.170 -9.620 -21.890 1.00 4.32 C ATOM 590 C PRO A 48 10.318 -8.930 -23.242 1.00 22.12 C ATOM 591 O PRO A 48 9.985 -7.754 -23.389 1.00 71.12 O ATOM 592 CB PRO A 48 11.515 -9.658 -21.159 1.00 51.21 C ATOM 593 CG PRO A 48 12.090 -10.991 -21.494 1.00 2.44 C ATOM 594 CD PRO A 48 10.920 -11.926 -21.626 1.00 11.55 C ATOM 0 HA PRO A 48 9.400 -9.055 -21.366 1.00 4.32 H new ATOM 0 HB2 PRO A 48 12.168 -8.851 -21.490 1.00 51.21 H new ATOM 0 HB3 PRO A 48 11.384 -9.542 -20.083 1.00 51.21 H new ATOM 0 HG2 PRO A 48 12.661 -10.948 -22.421 1.00 2.44 H new ATOM 0 HG3 PRO A 48 12.773 -11.328 -20.714 1.00 2.44 H new ATOM 0 HD2 PRO A 48 11.104 -12.696 -22.375 1.00 11.55 H new ATOM 0 HD3 PRO A 48 10.707 -12.438 -20.688 1.00 11.55 H new ATOM 602 N ASP A 49 10.819 -9.669 -24.226 1.00 1.23 N ATOM 603 CA ASP A 49 11.009 -9.128 -25.567 1.00 25.32 C ATOM 604 C ASP A 49 9.688 -8.632 -26.145 1.00 41.51 C ATOM 605 O ASP A 49 9.632 -7.576 -26.777 1.00 72.24 O ATOM 606 CB ASP A 49 11.616 -10.190 -26.486 1.00 51.41 C ATOM 607 CG ASP A 49 13.131 -10.147 -26.499 1.00 43.32 C ATOM 608 OD1 ASP A 49 13.749 -10.705 -25.568 1.00 61.45 O ATOM 609 OD2 ASP A 49 13.699 -9.555 -27.441 1.00 25.24 O ATOM 0 H ASP A 49 11.101 -10.644 -24.120 1.00 1.23 H new ATOM 0 HA ASP A 49 11.694 -8.283 -25.498 1.00 25.32 H new ATOM 0 HB2 ASP A 49 11.286 -11.177 -26.163 1.00 51.41 H new ATOM 0 HB3 ASP A 49 11.243 -10.045 -27.500 1.00 51.41 H new ATOM 614 N THR A 50 8.626 -9.400 -25.925 1.00 54.23 N ATOM 615 CA THR A 50 7.305 -9.039 -26.426 1.00 62.51 C ATOM 616 C THR A 50 6.342 -8.751 -25.280 1.00 63.21 C ATOM 617 O THR A 50 5.411 -9.517 -25.029 1.00 62.33 O ATOM 618 CB THR A 50 6.715 -10.156 -27.309 1.00 3.43 C ATOM 619 OG1 THR A 50 6.889 -11.427 -26.673 1.00 4.32 O ATOM 620 CG2 THR A 50 7.380 -10.172 -28.677 1.00 3.02 C ATOM 0 H THR A 50 8.654 -10.276 -25.403 1.00 54.23 H new ATOM 0 HA THR A 50 7.430 -8.138 -27.027 1.00 62.51 H new ATOM 0 HB THR A 50 5.651 -9.960 -27.442 1.00 3.43 H new ATOM 0 HG1 THR A 50 6.169 -12.032 -26.948 1.00 4.32 H new ATOM 0 HG21 THR A 50 6.947 -10.968 -29.283 1.00 3.02 H new ATOM 0 HG22 THR A 50 7.220 -9.213 -29.170 1.00 3.02 H new ATOM 0 HG23 THR A 50 8.450 -10.346 -28.560 1.00 3.02 H new ATOM 628 N THR A 51 6.571 -7.641 -24.586 1.00 1.40 N ATOM 629 CA THR A 51 5.724 -7.251 -23.466 1.00 20.22 C ATOM 630 C THR A 51 5.504 -5.743 -23.441 1.00 3.11 C ATOM 631 O THR A 51 6.435 -4.967 -23.658 1.00 1.14 O ATOM 632 CB THR A 51 6.333 -7.692 -22.121 1.00 72.13 C ATOM 633 OG1 THR A 51 5.377 -7.518 -21.070 1.00 15.52 O ATOM 634 CG2 THR A 51 7.589 -6.894 -21.809 1.00 4.35 C ATOM 0 H THR A 51 7.337 -6.996 -24.780 1.00 1.40 H new ATOM 0 HA THR A 51 4.766 -7.752 -23.605 1.00 20.22 H new ATOM 0 HB THR A 51 6.601 -8.746 -22.196 1.00 72.13 H new ATOM 0 HG1 THR A 51 5.696 -7.968 -20.260 1.00 15.52 H new ATOM 0 HG21 THR A 51 8.001 -7.223 -20.855 1.00 4.35 H new ATOM 0 HG22 THR A 51 8.326 -7.052 -22.597 1.00 4.35 H new ATOM 0 HG23 THR A 51 7.342 -5.834 -21.751 1.00 4.35 H new ATOM 642 N ARG A 52 4.268 -5.334 -23.175 1.00 21.02 N ATOM 643 CA ARG A 52 3.927 -3.918 -23.122 1.00 55.31 C ATOM 644 C ARG A 52 3.175 -3.587 -21.836 1.00 21.11 C ATOM 645 O ARG A 52 2.402 -4.401 -21.329 1.00 20.10 O ATOM 646 CB ARG A 52 3.078 -3.530 -24.335 1.00 23.32 C ATOM 647 CG ARG A 52 3.669 -3.982 -25.660 1.00 73.35 C ATOM 648 CD ARG A 52 3.152 -5.355 -26.061 1.00 62.31 C ATOM 649 NE ARG A 52 4.103 -6.072 -26.907 1.00 74.21 N ATOM 650 CZ ARG A 52 4.375 -5.729 -28.161 1.00 55.12 C ATOM 651 NH1 ARG A 52 3.771 -4.684 -28.712 1.00 25.33 N ATOM 652 NH2 ARG A 52 5.252 -6.431 -28.867 1.00 53.12 N ATOM 0 H ARG A 52 3.486 -5.963 -22.993 1.00 21.02 H new ATOM 0 HA ARG A 52 4.855 -3.346 -23.138 1.00 55.31 H new ATOM 0 HB2 ARG A 52 2.083 -3.961 -24.225 1.00 23.32 H new ATOM 0 HB3 ARG A 52 2.956 -2.447 -24.351 1.00 23.32 H new ATOM 0 HG2 ARG A 52 3.421 -3.258 -26.436 1.00 73.35 H new ATOM 0 HG3 ARG A 52 4.756 -4.009 -25.584 1.00 73.35 H new ATOM 0 HD2 ARG A 52 2.949 -5.942 -25.165 1.00 62.31 H new ATOM 0 HD3 ARG A 52 2.206 -5.246 -26.591 1.00 62.31 H new ATOM 0 HE ARG A 52 4.585 -6.880 -26.513 1.00 74.21 H new ATOM 0 HH11 ARG A 52 3.096 -4.142 -28.172 1.00 25.33 H new ATOM 0 HH12 ARG A 52 3.982 -4.423 -29.675 1.00 25.33 H new ATOM 0 HH21 ARG A 52 5.718 -7.235 -28.447 1.00 53.12 H new ATOM 0 HH22 ARG A 52 5.460 -6.167 -29.830 1.00 53.12 H new ATOM 666 N LEU A 53 3.408 -2.388 -21.313 1.00 33.44 N ATOM 667 CA LEU A 53 2.753 -1.950 -20.085 1.00 4.43 C ATOM 668 C LEU A 53 2.051 -0.611 -20.290 1.00 62.23 C ATOM 669 O LEU A 53 2.660 0.360 -20.742 1.00 20.54 O ATOM 670 CB LEU A 53 3.775 -1.834 -18.952 1.00 43.34 C ATOM 671 CG LEU A 53 3.631 -0.615 -18.040 1.00 41.23 C ATOM 672 CD1 LEU A 53 2.331 -0.687 -17.255 1.00 0.14 C ATOM 673 CD2 LEU A 53 4.821 -0.510 -17.098 1.00 21.44 C ATOM 0 H LEU A 53 4.045 -1.703 -21.719 1.00 33.44 H new ATOM 0 HA LEU A 53 2.004 -2.695 -19.816 1.00 4.43 H new ATOM 0 HB2 LEU A 53 3.710 -2.732 -18.338 1.00 43.34 H new ATOM 0 HB3 LEU A 53 4.773 -1.819 -19.390 1.00 43.34 H new ATOM 0 HG LEU A 53 3.606 0.280 -18.662 1.00 41.23 H new ATOM 0 HD11 LEU A 53 2.246 0.189 -16.611 1.00 0.14 H new ATOM 0 HD12 LEU A 53 1.489 -0.712 -17.947 1.00 0.14 H new ATOM 0 HD13 LEU A 53 2.325 -1.589 -16.643 1.00 0.14 H new ATOM 0 HD21 LEU A 53 4.701 0.363 -16.457 1.00 21.44 H new ATOM 0 HD22 LEU A 53 4.878 -1.408 -16.482 1.00 21.44 H new ATOM 0 HD23 LEU A 53 5.738 -0.410 -17.679 1.00 21.44 H new ATOM 685 N THR A 54 0.766 -0.565 -19.954 1.00 73.43 N ATOM 686 CA THR A 54 -0.020 0.654 -20.101 1.00 24.42 C ATOM 687 C THR A 54 -0.719 1.017 -18.796 1.00 50.20 C ATOM 688 O THR A 54 -1.554 0.263 -18.297 1.00 74.30 O ATOM 689 CB THR A 54 -1.075 0.512 -21.214 1.00 31.44 C ATOM 690 OG1 THR A 54 -0.947 -0.765 -21.850 1.00 53.21 O ATOM 691 CG2 THR A 54 -0.923 1.617 -22.248 1.00 34.04 C ATOM 0 H THR A 54 0.247 -1.358 -19.578 1.00 73.43 H new ATOM 0 HA THR A 54 0.676 1.449 -20.371 1.00 24.42 H new ATOM 0 HB THR A 54 -2.063 0.594 -20.761 1.00 31.44 H new ATOM 0 HG1 THR A 54 -1.622 -0.848 -22.555 1.00 53.21 H new ATOM 0 HG21 THR A 54 -1.679 1.496 -23.024 1.00 34.04 H new ATOM 0 HG22 THR A 54 -1.050 2.586 -21.766 1.00 34.04 H new ATOM 0 HG23 THR A 54 0.069 1.562 -22.696 1.00 34.04 H new ATOM 699 N TYR A 55 -0.373 2.177 -18.248 1.00 75.14 N ATOM 700 CA TYR A 55 -0.968 2.640 -17.000 1.00 25.32 C ATOM 701 C TYR A 55 -1.777 3.914 -17.221 1.00 72.30 C ATOM 702 O TYR A 55 -1.281 4.889 -17.786 1.00 34.12 O ATOM 703 CB TYR A 55 0.121 2.889 -15.954 1.00 71.14 C ATOM 704 CG TYR A 55 -0.386 3.567 -14.702 1.00 15.31 C ATOM 705 CD1 TYR A 55 -1.557 3.144 -14.085 1.00 33.12 C ATOM 706 CD2 TYR A 55 0.304 4.632 -14.136 1.00 60.12 C ATOM 707 CE1 TYR A 55 -2.025 3.761 -12.941 1.00 32.12 C ATOM 708 CE2 TYR A 55 -0.156 5.254 -12.992 1.00 24.14 C ATOM 709 CZ TYR A 55 -1.321 4.815 -12.398 1.00 4.12 C ATOM 710 OH TYR A 55 -1.783 5.433 -11.258 1.00 45.03 O ATOM 0 H TYR A 55 0.316 2.813 -18.648 1.00 75.14 H new ATOM 0 HA TYR A 55 -1.641 1.863 -16.638 1.00 25.32 H new ATOM 0 HB2 TYR A 55 0.577 1.937 -15.682 1.00 71.14 H new ATOM 0 HB3 TYR A 55 0.905 3.503 -16.397 1.00 71.14 H new ATOM 0 HD1 TYR A 55 -2.111 2.319 -14.507 1.00 33.12 H new ATOM 0 HD2 TYR A 55 1.216 4.979 -14.599 1.00 60.12 H new ATOM 0 HE1 TYR A 55 -2.937 3.420 -12.474 1.00 32.12 H new ATOM 0 HE2 TYR A 55 0.393 6.080 -12.565 1.00 24.14 H new ATOM 0 HH TYR A 55 -2.206 4.769 -10.675 1.00 45.03 H new ATOM 720 N LYS A 56 -3.027 3.898 -16.771 1.00 32.11 N ATOM 721 CA LYS A 56 -3.908 5.051 -16.916 1.00 61.23 C ATOM 722 C LYS A 56 -4.020 5.469 -18.379 1.00 4.11 C ATOM 723 O LYS A 56 -4.163 6.651 -18.687 1.00 50.43 O ATOM 724 CB LYS A 56 -3.391 6.222 -16.078 1.00 12.21 C ATOM 725 CG LYS A 56 -4.479 6.936 -15.294 1.00 72.22 C ATOM 726 CD LYS A 56 -5.369 7.766 -16.204 1.00 70.54 C ATOM 727 CE LYS A 56 -4.632 8.980 -16.748 1.00 72.01 C ATOM 728 NZ LYS A 56 -5.543 9.894 -17.491 1.00 42.43 N ATOM 0 H LYS A 56 -3.453 3.099 -16.302 1.00 32.11 H new ATOM 0 HA LYS A 56 -4.899 4.767 -16.560 1.00 61.23 H new ATOM 0 HB2 LYS A 56 -2.635 5.855 -15.383 1.00 12.21 H new ATOM 0 HB3 LYS A 56 -2.898 6.939 -16.735 1.00 12.21 H new ATOM 0 HG2 LYS A 56 -5.085 6.203 -14.761 1.00 72.22 H new ATOM 0 HG3 LYS A 56 -4.024 7.581 -14.542 1.00 72.22 H new ATOM 0 HD2 LYS A 56 -5.719 7.150 -17.032 1.00 70.54 H new ATOM 0 HD3 LYS A 56 -6.252 8.091 -15.653 1.00 70.54 H new ATOM 0 HE2 LYS A 56 -4.167 9.522 -15.924 1.00 72.01 H new ATOM 0 HE3 LYS A 56 -3.829 8.652 -17.408 1.00 72.01 H new ATOM 0 HZ1 LYS A 56 -5.003 10.709 -17.846 1.00 42.43 H new ATOM 0 HZ2 LYS A 56 -5.968 9.385 -18.292 1.00 42.43 H new ATOM 0 HZ3 LYS A 56 -6.295 10.227 -16.855 1.00 42.43 H new ATOM 742 N GLY A 57 -3.954 4.490 -19.277 1.00 12.44 N ATOM 743 CA GLY A 57 -4.051 4.778 -20.696 1.00 31.32 C ATOM 744 C GLY A 57 -2.817 5.476 -21.231 1.00 51.25 C ATOM 745 O GLY A 57 -2.800 5.929 -22.376 1.00 42.31 O ATOM 0 H GLY A 57 -3.835 3.503 -19.047 1.00 12.44 H new ATOM 0 HA2 GLY A 57 -4.204 3.848 -21.243 1.00 31.32 H new ATOM 0 HA3 GLY A 57 -4.926 5.403 -20.878 1.00 31.32 H new ATOM 749 N ARG A 58 -1.783 5.565 -20.402 1.00 45.21 N ATOM 750 CA ARG A 58 -0.540 6.216 -20.798 1.00 43.41 C ATOM 751 C ARG A 58 0.624 5.230 -20.769 1.00 2.13 C ATOM 752 O ARG A 58 0.602 4.251 -20.024 1.00 3.04 O ATOM 753 CB ARG A 58 -0.243 7.400 -19.875 1.00 64.14 C ATOM 754 CG ARG A 58 -0.987 8.670 -20.255 1.00 21.33 C ATOM 755 CD ARG A 58 -0.154 9.551 -21.172 1.00 62.23 C ATOM 756 NE ARG A 58 -0.937 10.644 -21.741 1.00 14.21 N ATOM 757 CZ ARG A 58 -0.413 11.621 -22.472 1.00 1.40 C ATOM 758 NH1 ARG A 58 0.889 11.641 -22.722 1.00 51.13 N ATOM 759 NH2 ARG A 58 -1.191 12.581 -22.955 1.00 13.52 N ATOM 0 H ARG A 58 -1.781 5.195 -19.452 1.00 45.21 H new ATOM 0 HA ARG A 58 -0.659 6.580 -21.818 1.00 43.41 H new ATOM 0 HB2 ARG A 58 -0.505 7.128 -18.853 1.00 64.14 H new ATOM 0 HB3 ARG A 58 0.829 7.599 -19.887 1.00 64.14 H new ATOM 0 HG2 ARG A 58 -1.923 8.410 -20.750 1.00 21.33 H new ATOM 0 HG3 ARG A 58 -1.246 9.225 -19.353 1.00 21.33 H new ATOM 0 HD2 ARG A 58 0.688 9.961 -20.614 1.00 62.23 H new ATOM 0 HD3 ARG A 58 0.261 8.945 -21.977 1.00 62.23 H new ATOM 0 HE ARG A 58 -1.942 10.658 -21.567 1.00 14.21 H new ATOM 0 HH11 ARG A 58 1.491 10.905 -22.353 1.00 51.13 H new ATOM 0 HH12 ARG A 58 1.289 12.393 -23.284 1.00 51.13 H new ATOM 0 HH21 ARG A 58 -2.193 12.569 -22.765 1.00 13.52 H new ATOM 0 HH22 ARG A 58 -0.787 13.331 -23.516 1.00 13.52 H new ATOM 773 N ALA A 59 1.639 5.496 -21.585 1.00 72.41 N ATOM 774 CA ALA A 59 2.812 4.633 -21.652 1.00 33.25 C ATOM 775 C ALA A 59 3.995 5.257 -20.919 1.00 54.01 C ATOM 776 O ALA A 59 4.464 6.336 -21.283 1.00 40.20 O ATOM 777 CB ALA A 59 3.176 4.349 -23.101 1.00 64.51 C ATOM 0 H ALA A 59 1.672 6.302 -22.209 1.00 72.41 H new ATOM 0 HA ALA A 59 2.569 3.692 -21.159 1.00 33.25 H new ATOM 0 HB1 ALA A 59 4.054 3.704 -23.136 1.00 64.51 H new ATOM 0 HB2 ALA A 59 2.341 3.853 -23.595 1.00 64.51 H new ATOM 0 HB3 ALA A 59 3.395 5.287 -23.612 1.00 64.51 H new ATOM 783 N LEU A 60 4.472 4.573 -19.885 1.00 62.14 N ATOM 784 CA LEU A 60 5.601 5.061 -19.101 1.00 31.14 C ATOM 785 C LEU A 60 6.811 4.145 -19.259 1.00 15.23 C ATOM 786 O LEU A 60 6.668 2.946 -19.499 1.00 2.13 O ATOM 787 CB LEU A 60 5.214 5.164 -17.624 1.00 64.12 C ATOM 788 CG LEU A 60 4.012 6.053 -17.306 1.00 10.14 C ATOM 789 CD1 LEU A 60 2.714 5.283 -17.493 1.00 50.24 C ATOM 790 CD2 LEU A 60 4.111 6.597 -15.888 1.00 24.33 C ATOM 0 H LEU A 60 4.095 3.679 -19.570 1.00 62.14 H new ATOM 0 HA LEU A 60 5.868 6.051 -19.471 1.00 31.14 H new ATOM 0 HB2 LEU A 60 5.007 4.160 -17.253 1.00 64.12 H new ATOM 0 HB3 LEU A 60 6.074 5.538 -17.069 1.00 64.12 H new ATOM 0 HG LEU A 60 4.014 6.895 -17.998 1.00 10.14 H new ATOM 0 HD11 LEU A 60 1.869 5.932 -17.262 1.00 50.24 H new ATOM 0 HD12 LEU A 60 2.638 4.943 -18.526 1.00 50.24 H new ATOM 0 HD13 LEU A 60 2.703 4.421 -16.825 1.00 50.24 H new ATOM 0 HD21 LEU A 60 3.247 7.228 -15.679 1.00 24.33 H new ATOM 0 HD22 LEU A 60 4.134 5.768 -15.181 1.00 24.33 H new ATOM 0 HD23 LEU A 60 5.023 7.186 -15.787 1.00 24.33 H new ATOM 802 N LYS A 61 8.002 4.718 -19.121 1.00 35.24 N ATOM 803 CA LYS A 61 9.237 3.954 -19.244 1.00 63.22 C ATOM 804 C LYS A 61 10.415 4.724 -18.655 1.00 15.20 C ATOM 805 O LYS A 61 10.895 4.406 -17.567 1.00 15.02 O ATOM 806 CB LYS A 61 9.513 3.625 -20.713 1.00 41.22 C ATOM 807 CG LYS A 61 9.348 2.153 -21.048 1.00 64.05 C ATOM 808 CD LYS A 61 9.477 1.903 -22.542 1.00 2.32 C ATOM 809 CE LYS A 61 8.118 1.688 -23.190 1.00 62.31 C ATOM 810 NZ LYS A 61 7.876 2.647 -24.303 1.00 0.11 N ATOM 0 H LYS A 61 8.138 5.710 -18.924 1.00 35.24 H new ATOM 0 HA LYS A 61 9.117 3.025 -18.686 1.00 63.22 H new ATOM 0 HB2 LYS A 61 8.840 4.209 -21.340 1.00 41.22 H new ATOM 0 HB3 LYS A 61 10.528 3.934 -20.961 1.00 41.22 H new ATOM 0 HG2 LYS A 61 10.100 1.571 -20.515 1.00 64.05 H new ATOM 0 HG3 LYS A 61 8.373 1.807 -20.703 1.00 64.05 H new ATOM 0 HD2 LYS A 61 9.976 2.751 -23.012 1.00 2.32 H new ATOM 0 HD3 LYS A 61 10.105 1.029 -22.713 1.00 2.32 H new ATOM 0 HE2 LYS A 61 8.054 0.668 -23.569 1.00 62.31 H new ATOM 0 HE3 LYS A 61 7.336 1.799 -22.439 1.00 62.31 H new ATOM 0 HZ1 LYS A 61 6.940 2.468 -24.718 1.00 0.11 H new ATOM 0 HZ2 LYS A 61 7.912 3.620 -23.937 1.00 0.11 H new ATOM 0 HZ3 LYS A 61 8.607 2.524 -25.032 1.00 0.11 H new ATOM 824 N ASP A 62 10.874 5.739 -19.379 1.00 72.43 N ATOM 825 CA ASP A 62 11.993 6.556 -18.927 1.00 3.22 C ATOM 826 C ASP A 62 11.555 7.515 -17.824 1.00 23.43 C ATOM 827 O ASP A 62 12.378 8.210 -17.227 1.00 21.01 O ATOM 828 CB ASP A 62 12.584 7.343 -20.098 1.00 24.31 C ATOM 829 CG ASP A 62 13.520 6.503 -20.946 1.00 10.35 C ATOM 830 OD1 ASP A 62 13.585 5.276 -20.721 1.00 14.30 O ATOM 831 OD2 ASP A 62 14.187 7.073 -21.834 1.00 11.20 O ATOM 0 H ASP A 62 10.488 6.015 -20.282 1.00 72.43 H new ATOM 0 HA ASP A 62 12.757 5.891 -18.524 1.00 3.22 H new ATOM 0 HB2 ASP A 62 11.775 7.723 -20.722 1.00 24.31 H new ATOM 0 HB3 ASP A 62 13.124 8.209 -19.715 1.00 24.31 H new ATOM 836 N THR A 63 10.253 7.548 -17.558 1.00 21.42 N ATOM 837 CA THR A 63 9.705 8.422 -16.529 1.00 21.14 C ATOM 838 C THR A 63 10.292 8.096 -15.160 1.00 64.22 C ATOM 839 O THR A 63 10.240 8.913 -14.242 1.00 40.20 O ATOM 840 CB THR A 63 8.171 8.311 -16.456 1.00 35.33 C ATOM 841 OG1 THR A 63 7.696 7.408 -17.461 1.00 44.12 O ATOM 842 CG2 THR A 63 7.520 9.673 -16.642 1.00 73.04 C ATOM 0 H THR A 63 9.558 6.979 -18.042 1.00 21.42 H new ATOM 0 HA THR A 63 9.976 9.441 -16.804 1.00 21.14 H new ATOM 0 HB THR A 63 7.903 7.930 -15.470 1.00 35.33 H new ATOM 0 HG1 THR A 63 6.744 7.574 -17.627 1.00 44.12 H new ATOM 0 HG21 THR A 63 6.436 9.569 -16.587 1.00 73.04 H new ATOM 0 HG22 THR A 63 7.860 10.349 -15.858 1.00 73.04 H new ATOM 0 HG23 THR A 63 7.796 10.078 -17.615 1.00 73.04 H new ATOM 850 N GLU A 64 10.852 6.897 -15.032 1.00 32.31 N ATOM 851 CA GLU A 64 11.449 6.464 -13.774 1.00 20.20 C ATOM 852 C GLU A 64 10.393 6.360 -12.677 1.00 52.15 C ATOM 853 O GLU A 64 9.879 5.277 -12.394 1.00 3.33 O ATOM 854 CB GLU A 64 12.551 7.436 -13.346 1.00 33.52 C ATOM 855 CG GLU A 64 13.953 6.941 -13.658 1.00 3.22 C ATOM 856 CD GLU A 64 14.847 6.911 -12.433 1.00 40.02 C ATOM 857 OE1 GLU A 64 14.361 6.518 -11.352 1.00 54.15 O ATOM 858 OE2 GLU A 64 16.034 7.280 -12.556 1.00 53.55 O ATOM 0 H GLU A 64 10.905 6.209 -15.783 1.00 32.31 H new ATOM 0 HA GLU A 64 11.885 5.477 -13.929 1.00 20.20 H new ATOM 0 HB2 GLU A 64 12.393 8.393 -13.844 1.00 33.52 H new ATOM 0 HB3 GLU A 64 12.469 7.617 -12.274 1.00 33.52 H new ATOM 0 HG2 GLU A 64 13.894 5.940 -14.085 1.00 3.22 H new ATOM 0 HG3 GLU A 64 14.401 7.584 -14.415 1.00 3.22 H new ATOM 865 N THR A 65 10.073 7.495 -12.063 1.00 32.21 N ATOM 866 CA THR A 65 9.080 7.533 -10.997 1.00 31.23 C ATOM 867 C THR A 65 7.724 7.986 -11.524 1.00 55.24 C ATOM 868 O THR A 65 7.629 8.567 -12.607 1.00 23.33 O ATOM 869 CB THR A 65 9.515 8.473 -9.857 1.00 41.20 C ATOM 870 OG1 THR A 65 9.364 9.838 -10.263 1.00 71.13 O ATOM 871 CG2 THR A 65 10.961 8.213 -9.463 1.00 43.24 C ATOM 0 H THR A 65 10.487 8.400 -12.286 1.00 32.21 H new ATOM 0 HA THR A 65 8.995 6.518 -10.609 1.00 31.23 H new ATOM 0 HB THR A 65 8.879 8.279 -8.993 1.00 41.20 H new ATOM 0 HG1 THR A 65 9.641 10.429 -9.532 1.00 71.13 H new ATOM 0 HG21 THR A 65 11.245 8.889 -8.656 1.00 43.24 H new ATOM 0 HG22 THR A 65 11.067 7.182 -9.127 1.00 43.24 H new ATOM 0 HG23 THR A 65 11.609 8.382 -10.323 1.00 43.24 H new ATOM 879 N LEU A 66 6.675 7.719 -10.754 1.00 31.20 N ATOM 880 CA LEU A 66 5.322 8.100 -11.144 1.00 11.42 C ATOM 881 C LEU A 66 4.786 9.205 -10.239 1.00 34.02 C ATOM 882 O LEU A 66 3.783 9.845 -10.553 1.00 51.11 O ATOM 883 CB LEU A 66 4.393 6.886 -11.091 1.00 41.20 C ATOM 884 CG LEU A 66 4.461 5.937 -12.288 1.00 34.01 C ATOM 885 CD1 LEU A 66 5.712 5.075 -12.216 1.00 15.20 C ATOM 886 CD2 LEU A 66 3.214 5.067 -12.349 1.00 72.43 C ATOM 0 H LEU A 66 6.735 7.240 -9.856 1.00 31.20 H new ATOM 0 HA LEU A 66 5.358 8.477 -12.166 1.00 11.42 H new ATOM 0 HB2 LEU A 66 4.621 6.318 -10.189 1.00 41.20 H new ATOM 0 HB3 LEU A 66 3.368 7.242 -10.993 1.00 41.20 H new ATOM 0 HG LEU A 66 4.509 6.534 -13.199 1.00 34.01 H new ATOM 0 HD11 LEU A 66 5.743 4.406 -13.076 1.00 15.20 H new ATOM 0 HD12 LEU A 66 6.595 5.714 -12.221 1.00 15.20 H new ATOM 0 HD13 LEU A 66 5.696 4.486 -11.299 1.00 15.20 H new ATOM 0 HD21 LEU A 66 3.279 4.398 -13.207 1.00 72.43 H new ATOM 0 HD22 LEU A 66 3.136 4.479 -11.435 1.00 72.43 H new ATOM 0 HD23 LEU A 66 2.333 5.701 -12.449 1.00 72.43 H new ATOM 898 N GLU A 67 5.462 9.423 -9.116 1.00 2.45 N ATOM 899 CA GLU A 67 5.054 10.452 -8.166 1.00 75.02 C ATOM 900 C GLU A 67 5.020 11.825 -8.832 1.00 74.52 C ATOM 901 O GLU A 67 4.192 12.671 -8.493 1.00 62.42 O ATOM 902 CB GLU A 67 6.004 10.478 -6.968 1.00 23.14 C ATOM 903 CG GLU A 67 5.648 11.530 -5.931 1.00 22.02 C ATOM 904 CD GLU A 67 5.883 11.053 -4.511 1.00 21.32 C ATOM 905 OE1 GLU A 67 4.994 10.372 -3.958 1.00 40.03 O ATOM 906 OE2 GLU A 67 6.957 11.360 -3.952 1.00 41.23 O ATOM 0 H GLU A 67 6.294 8.901 -8.841 1.00 2.45 H new ATOM 0 HA GLU A 67 4.050 10.211 -7.818 1.00 75.02 H new ATOM 0 HB2 GLU A 67 6.003 9.497 -6.493 1.00 23.14 H new ATOM 0 HB3 GLU A 67 7.018 10.659 -7.323 1.00 23.14 H new ATOM 0 HG2 GLU A 67 6.240 12.427 -6.111 1.00 22.02 H new ATOM 0 HG3 GLU A 67 4.601 11.810 -6.048 1.00 22.02 H new ATOM 913 N SER A 68 5.925 12.038 -9.781 1.00 64.34 N ATOM 914 CA SER A 68 6.003 13.308 -10.493 1.00 11.45 C ATOM 915 C SER A 68 4.734 13.556 -11.302 1.00 15.32 C ATOM 916 O SER A 68 4.386 14.700 -11.598 1.00 53.15 O ATOM 917 CB SER A 68 7.222 13.326 -11.417 1.00 1.44 C ATOM 918 OG SER A 68 8.185 14.267 -10.973 1.00 15.02 O ATOM 0 H SER A 68 6.615 11.347 -10.075 1.00 64.34 H new ATOM 0 HA SER A 68 6.104 14.104 -9.755 1.00 11.45 H new ATOM 0 HB2 SER A 68 7.669 12.333 -11.453 1.00 1.44 H new ATOM 0 HB3 SER A 68 6.909 13.572 -12.432 1.00 1.44 H new ATOM 0 HG SER A 68 8.955 14.258 -11.579 1.00 15.02 H new ATOM 924 N LEU A 69 4.045 12.477 -11.656 1.00 63.21 N ATOM 925 CA LEU A 69 2.813 12.575 -12.431 1.00 45.15 C ATOM 926 C LEU A 69 1.590 12.464 -11.527 1.00 3.11 C ATOM 927 O LEU A 69 0.473 12.778 -11.935 1.00 42.50 O ATOM 928 CB LEU A 69 2.772 11.482 -13.501 1.00 20.13 C ATOM 929 CG LEU A 69 4.109 11.132 -14.155 1.00 21.44 C ATOM 930 CD1 LEU A 69 3.912 10.097 -15.252 1.00 20.15 C ATOM 931 CD2 LEU A 69 4.774 12.382 -14.712 1.00 22.15 C ATOM 0 H LEU A 69 4.319 11.523 -11.419 1.00 63.21 H new ATOM 0 HA LEU A 69 2.795 13.551 -12.916 1.00 45.15 H new ATOM 0 HB2 LEU A 69 2.362 10.577 -13.052 1.00 20.13 H new ATOM 0 HB3 LEU A 69 2.078 11.792 -14.282 1.00 20.13 H new ATOM 0 HG LEU A 69 4.763 10.705 -13.394 1.00 21.44 H new ATOM 0 HD11 LEU A 69 4.874 9.860 -15.706 1.00 20.15 H new ATOM 0 HD12 LEU A 69 3.480 9.192 -14.825 1.00 20.15 H new ATOM 0 HD13 LEU A 69 3.240 10.496 -16.012 1.00 20.15 H new ATOM 0 HD21 LEU A 69 5.724 12.114 -15.174 1.00 22.15 H new ATOM 0 HD22 LEU A 69 4.124 12.838 -15.459 1.00 22.15 H new ATOM 0 HD23 LEU A 69 4.951 13.091 -13.903 1.00 22.15 H new ATOM 943 N GLY A 70 1.811 12.016 -10.294 1.00 54.43 N ATOM 944 CA GLY A 70 0.718 11.874 -9.350 1.00 55.14 C ATOM 945 C GLY A 70 0.347 10.425 -9.107 1.00 74.31 C ATOM 946 O GLY A 70 -0.734 9.979 -9.494 1.00 40.40 O ATOM 0 H GLY A 70 2.727 11.749 -9.933 1.00 54.43 H new ATOM 0 HA2 GLY A 70 0.996 12.338 -8.404 1.00 55.14 H new ATOM 0 HA3 GLY A 70 -0.153 12.411 -9.724 1.00 55.14 H new ATOM 950 N VAL A 71 1.245 9.685 -8.465 1.00 44.02 N ATOM 951 CA VAL A 71 1.007 8.277 -8.171 1.00 65.13 C ATOM 952 C VAL A 71 0.361 8.103 -6.802 1.00 14.12 C ATOM 953 O VAL A 71 0.698 8.807 -5.851 1.00 2.23 O ATOM 954 CB VAL A 71 2.316 7.465 -8.216 1.00 12.43 C ATOM 955 CG1 VAL A 71 3.231 7.865 -7.068 1.00 61.33 C ATOM 956 CG2 VAL A 71 2.019 5.974 -8.177 1.00 72.04 C ATOM 0 H VAL A 71 2.145 10.037 -8.138 1.00 44.02 H new ATOM 0 HA VAL A 71 0.330 7.904 -8.939 1.00 65.13 H new ATOM 0 HB VAL A 71 2.829 7.685 -9.152 1.00 12.43 H new ATOM 0 HG11 VAL A 71 4.151 7.282 -7.115 1.00 61.33 H new ATOM 0 HG12 VAL A 71 3.470 8.926 -7.146 1.00 61.33 H new ATOM 0 HG13 VAL A 71 2.729 7.675 -6.119 1.00 61.33 H new ATOM 0 HG21 VAL A 71 2.955 5.416 -8.210 1.00 72.04 H new ATOM 0 HG22 VAL A 71 1.485 5.733 -7.258 1.00 72.04 H new ATOM 0 HG23 VAL A 71 1.405 5.703 -9.036 1.00 72.04 H new ATOM 966 N ALA A 72 -0.571 7.160 -6.709 1.00 71.11 N ATOM 967 CA ALA A 72 -1.264 6.891 -5.455 1.00 41.31 C ATOM 968 C ALA A 72 -1.273 5.399 -5.142 1.00 33.12 C ATOM 969 O ALA A 72 -1.317 4.565 -6.047 1.00 2.32 O ATOM 970 CB ALA A 72 -2.686 7.430 -5.512 1.00 61.50 C ATOM 0 H ALA A 72 -0.864 6.569 -7.487 1.00 71.11 H new ATOM 0 HA ALA A 72 -0.727 7.400 -4.655 1.00 41.31 H new ATOM 0 HB1 ALA A 72 -3.192 7.222 -4.569 1.00 61.50 H new ATOM 0 HB2 ALA A 72 -2.661 8.507 -5.681 1.00 61.50 H new ATOM 0 HB3 ALA A 72 -3.225 6.948 -6.327 1.00 61.50 H new ATOM 976 N ASP A 73 -1.232 5.069 -3.856 1.00 24.02 N ATOM 977 CA ASP A 73 -1.236 3.676 -3.423 1.00 44.32 C ATOM 978 C ASP A 73 -2.414 2.922 -4.031 1.00 31.11 C ATOM 979 O ASP A 73 -3.533 3.432 -4.078 1.00 22.42 O ATOM 980 CB ASP A 73 -1.294 3.594 -1.897 1.00 1.20 C ATOM 981 CG ASP A 73 -1.701 2.219 -1.406 1.00 64.33 C ATOM 982 OD1 ASP A 73 -1.159 1.220 -1.925 1.00 12.21 O ATOM 983 OD2 ASP A 73 -2.561 2.141 -0.504 1.00 70.52 O ATOM 0 H ASP A 73 -1.196 5.747 -3.095 1.00 24.02 H new ATOM 0 HA ASP A 73 -0.313 3.211 -3.769 1.00 44.32 H new ATOM 0 HB2 ASP A 73 -0.318 3.849 -1.485 1.00 1.20 H new ATOM 0 HB3 ASP A 73 -2.001 4.334 -1.523 1.00 1.20 H new ATOM 988 N GLY A 74 -2.154 1.704 -4.497 1.00 30.13 N ATOM 989 CA GLY A 74 -3.202 0.900 -5.097 1.00 35.45 C ATOM 990 C GLY A 74 -3.270 1.065 -6.602 1.00 33.52 C ATOM 991 O GLY A 74 -4.338 0.933 -7.200 1.00 72.20 O ATOM 0 H GLY A 74 -1.236 1.260 -4.469 1.00 30.13 H new ATOM 0 HA2 GLY A 74 -3.033 -0.150 -4.857 1.00 35.45 H new ATOM 0 HA3 GLY A 74 -4.162 1.176 -4.661 1.00 35.45 H new ATOM 995 N ASP A 75 -2.128 1.355 -7.215 1.00 55.04 N ATOM 996 CA ASP A 75 -2.062 1.539 -8.661 1.00 14.04 C ATOM 997 C ASP A 75 -2.367 0.234 -9.389 1.00 71.21 C ATOM 998 O ASP A 75 -2.225 -0.852 -8.826 1.00 53.12 O ATOM 999 CB ASP A 75 -0.681 2.054 -9.068 1.00 11.41 C ATOM 1000 CG ASP A 75 -0.687 3.537 -9.386 1.00 22.24 C ATOM 1001 OD1 ASP A 75 -1.615 4.238 -8.930 1.00 4.11 O ATOM 1002 OD2 ASP A 75 0.237 3.996 -10.089 1.00 71.11 O ATOM 0 H ASP A 75 -1.236 1.468 -6.734 1.00 55.04 H new ATOM 0 HA ASP A 75 -2.814 2.276 -8.944 1.00 14.04 H new ATOM 0 HB2 ASP A 75 0.028 1.861 -8.263 1.00 11.41 H new ATOM 0 HB3 ASP A 75 -0.332 1.500 -9.939 1.00 11.41 H new ATOM 1007 N LYS A 76 -2.788 0.347 -10.644 1.00 42.23 N ATOM 1008 CA LYS A 76 -3.113 -0.823 -11.451 1.00 50.23 C ATOM 1009 C LYS A 76 -2.797 -0.574 -12.923 1.00 1.13 C ATOM 1010 O LYS A 76 -3.214 0.433 -13.496 1.00 20.22 O ATOM 1011 CB LYS A 76 -4.591 -1.184 -11.290 1.00 74.04 C ATOM 1012 CG LYS A 76 -5.070 -2.241 -12.271 1.00 44.42 C ATOM 1013 CD LYS A 76 -6.059 -1.666 -13.271 1.00 62.24 C ATOM 1014 CE LYS A 76 -6.120 -2.505 -14.539 1.00 13.31 C ATOM 1015 NZ LYS A 76 -7.417 -3.227 -14.664 1.00 42.50 N ATOM 0 H LYS A 76 -2.912 1.238 -11.125 1.00 42.23 H new ATOM 0 HA LYS A 76 -2.502 -1.655 -11.102 1.00 50.23 H new ATOM 0 HB2 LYS A 76 -4.761 -1.540 -10.274 1.00 74.04 H new ATOM 0 HB3 LYS A 76 -5.192 -0.284 -11.417 1.00 74.04 H new ATOM 0 HG2 LYS A 76 -4.215 -2.659 -12.803 1.00 44.42 H new ATOM 0 HG3 LYS A 76 -5.538 -3.060 -11.725 1.00 44.42 H new ATOM 0 HD2 LYS A 76 -7.049 -1.617 -12.818 1.00 62.24 H new ATOM 0 HD3 LYS A 76 -5.772 -0.645 -13.522 1.00 62.24 H new ATOM 0 HE2 LYS A 76 -5.977 -1.862 -15.407 1.00 13.31 H new ATOM 0 HE3 LYS A 76 -5.302 -3.225 -14.538 1.00 13.31 H new ATOM 0 HZ1 LYS A 76 -7.559 -3.517 -15.652 1.00 42.50 H new ATOM 0 HZ2 LYS A 76 -7.406 -4.069 -14.054 1.00 42.50 H new ATOM 0 HZ3 LYS A 76 -8.193 -2.599 -14.373 1.00 42.50 H new ATOM 1029 N PHE A 77 -2.059 -1.498 -13.529 1.00 43.31 N ATOM 1030 CA PHE A 77 -1.687 -1.378 -14.934 1.00 74.32 C ATOM 1031 C PHE A 77 -1.988 -2.670 -15.688 1.00 32.51 C ATOM 1032 O PHE A 77 -1.963 -3.759 -15.113 1.00 3.55 O ATOM 1033 CB PHE A 77 -0.202 -1.033 -15.064 1.00 14.04 C ATOM 1034 CG PHE A 77 0.708 -2.072 -14.475 1.00 22.31 C ATOM 1035 CD1 PHE A 77 0.932 -2.122 -13.108 1.00 60.34 C ATOM 1036 CD2 PHE A 77 1.340 -3.000 -15.288 1.00 10.52 C ATOM 1037 CE1 PHE A 77 1.770 -3.077 -12.564 1.00 61.23 C ATOM 1038 CE2 PHE A 77 2.179 -3.957 -14.749 1.00 71.13 C ATOM 1039 CZ PHE A 77 2.393 -3.996 -13.386 1.00 23.44 C ATOM 0 H PHE A 77 -1.707 -2.338 -13.070 1.00 43.31 H new ATOM 0 HA PHE A 77 -2.279 -0.575 -15.373 1.00 74.32 H new ATOM 0 HB2 PHE A 77 0.042 -0.904 -16.118 1.00 14.04 H new ATOM 0 HB3 PHE A 77 -0.015 -0.078 -14.574 1.00 14.04 H new ATOM 0 HD1 PHE A 77 0.446 -1.407 -12.461 1.00 60.34 H new ATOM 0 HD2 PHE A 77 1.175 -2.975 -16.355 1.00 10.52 H new ATOM 0 HE1 PHE A 77 1.938 -3.105 -11.497 1.00 61.23 H new ATOM 0 HE2 PHE A 77 2.667 -4.673 -15.394 1.00 71.13 H new ATOM 0 HZ PHE A 77 3.047 -4.744 -12.963 1.00 23.44 H new ATOM 1049 N VAL A 78 -2.274 -2.542 -16.980 1.00 22.22 N ATOM 1050 CA VAL A 78 -2.579 -3.699 -17.814 1.00 13.53 C ATOM 1051 C VAL A 78 -1.373 -4.106 -18.652 1.00 3.31 C ATOM 1052 O VAL A 78 -0.784 -3.282 -19.354 1.00 72.41 O ATOM 1053 CB VAL A 78 -3.769 -3.417 -18.750 1.00 14.40 C ATOM 1054 CG1 VAL A 78 -4.171 -4.679 -19.498 1.00 41.43 C ATOM 1055 CG2 VAL A 78 -4.945 -2.857 -17.963 1.00 42.32 C ATOM 0 H VAL A 78 -2.301 -1.649 -17.472 1.00 22.22 H new ATOM 0 HA VAL A 78 -2.841 -4.515 -17.140 1.00 13.53 H new ATOM 0 HB VAL A 78 -3.463 -2.671 -19.483 1.00 14.40 H new ATOM 0 HG11 VAL A 78 -5.013 -4.460 -20.154 1.00 41.43 H new ATOM 0 HG12 VAL A 78 -3.329 -5.033 -20.093 1.00 41.43 H new ATOM 0 HG13 VAL A 78 -4.459 -5.450 -18.783 1.00 41.43 H new ATOM 0 HG21 VAL A 78 -5.777 -2.664 -18.640 1.00 42.32 H new ATOM 0 HG22 VAL A 78 -5.253 -3.579 -17.206 1.00 42.32 H new ATOM 0 HG23 VAL A 78 -4.648 -1.927 -17.478 1.00 42.32 H new ATOM 1065 N LEU A 79 -1.009 -5.381 -18.574 1.00 61.04 N ATOM 1066 CA LEU A 79 0.128 -5.899 -19.327 1.00 24.31 C ATOM 1067 C LEU A 79 -0.334 -6.848 -20.428 1.00 51.55 C ATOM 1068 O LEU A 79 -1.137 -7.750 -20.188 1.00 2.33 O ATOM 1069 CB LEU A 79 1.098 -6.622 -18.390 1.00 42.22 C ATOM 1070 CG LEU A 79 2.289 -7.310 -19.058 1.00 61.10 C ATOM 1071 CD1 LEU A 79 3.554 -6.485 -18.875 1.00 74.34 C ATOM 1072 CD2 LEU A 79 2.479 -8.712 -18.497 1.00 14.35 C ATOM 0 H LEU A 79 -1.484 -6.075 -17.997 1.00 61.04 H new ATOM 0 HA LEU A 79 0.639 -5.056 -19.791 1.00 24.31 H new ATOM 0 HB2 LEU A 79 1.479 -5.901 -17.667 1.00 42.22 H new ATOM 0 HB3 LEU A 79 0.539 -7.371 -17.829 1.00 42.22 H new ATOM 0 HG LEU A 79 2.084 -7.392 -20.125 1.00 61.10 H new ATOM 0 HD11 LEU A 79 4.391 -6.990 -19.357 1.00 74.34 H new ATOM 0 HD12 LEU A 79 3.416 -5.502 -19.325 1.00 74.34 H new ATOM 0 HD13 LEU A 79 3.763 -6.371 -17.811 1.00 74.34 H new ATOM 0 HD21 LEU A 79 3.331 -9.186 -18.984 1.00 14.35 H new ATOM 0 HD22 LEU A 79 2.661 -8.653 -17.424 1.00 14.35 H new ATOM 0 HD23 LEU A 79 1.581 -9.302 -18.681 1.00 14.35 H new ATOM 1084 N ILE A 80 0.179 -6.638 -21.636 1.00 61.21 N ATOM 1085 CA ILE A 80 -0.179 -7.476 -22.773 1.00 61.55 C ATOM 1086 C ILE A 80 1.046 -8.186 -23.341 1.00 1.41 C ATOM 1087 O ILE A 80 2.155 -7.649 -23.318 1.00 34.42 O ATOM 1088 CB ILE A 80 -0.846 -6.654 -23.892 1.00 5.44 C ATOM 1089 CG1 ILE A 80 -1.385 -7.579 -24.984 1.00 33.53 C ATOM 1090 CG2 ILE A 80 0.143 -5.656 -24.476 1.00 41.04 C ATOM 1091 CD1 ILE A 80 -2.608 -7.035 -25.688 1.00 10.50 C ATOM 0 H ILE A 80 0.844 -5.895 -21.852 1.00 61.21 H new ATOM 0 HA ILE A 80 -0.889 -8.218 -22.406 1.00 61.55 H new ATOM 0 HB ILE A 80 -1.683 -6.101 -23.466 1.00 5.44 H new ATOM 0 HG12 ILE A 80 -0.600 -7.755 -25.720 1.00 33.53 H new ATOM 0 HG13 ILE A 80 -1.630 -8.545 -24.542 1.00 33.53 H new ATOM 0 HG21 ILE A 80 -0.342 -5.082 -25.266 1.00 41.04 H new ATOM 0 HG22 ILE A 80 0.483 -4.979 -23.692 1.00 41.04 H new ATOM 0 HG23 ILE A 80 0.998 -6.191 -24.889 1.00 41.04 H new ATOM 0 HD11 ILE A 80 -2.935 -7.743 -26.449 1.00 10.50 H new ATOM 0 HD12 ILE A 80 -3.409 -6.886 -24.964 1.00 10.50 H new ATOM 0 HD13 ILE A 80 -2.363 -6.083 -26.159 1.00 10.50 H new ATOM 1103 N THR A 81 0.839 -9.395 -23.853 1.00 20.15 N ATOM 1104 CA THR A 81 1.926 -10.178 -24.427 1.00 74.20 C ATOM 1105 C THR A 81 1.729 -10.375 -25.926 1.00 12.12 C ATOM 1106 O THR A 81 0.616 -10.630 -26.387 1.00 63.31 O ATOM 1107 CB THR A 81 2.043 -11.557 -23.751 1.00 32.22 C ATOM 1108 OG1 THR A 81 3.257 -12.200 -24.155 1.00 50.42 O ATOM 1109 CG2 THR A 81 0.854 -12.437 -24.107 1.00 64.53 C ATOM 0 H THR A 81 -0.072 -9.853 -23.882 1.00 20.15 H new ATOM 0 HA THR A 81 2.845 -9.618 -24.254 1.00 74.20 H new ATOM 0 HB THR A 81 2.054 -11.408 -22.671 1.00 32.22 H new ATOM 0 HG1 THR A 81 3.324 -13.075 -23.719 1.00 50.42 H new ATOM 0 HG21 THR A 81 0.959 -13.406 -23.618 1.00 64.53 H new ATOM 0 HG22 THR A 81 -0.066 -11.959 -23.771 1.00 64.53 H new ATOM 0 HG23 THR A 81 0.816 -12.578 -25.187 1.00 64.53 H new ATOM 1117 N ARG A 82 2.816 -10.255 -26.681 1.00 74.14 N ATOM 1118 CA ARG A 82 2.762 -10.419 -28.129 1.00 34.50 C ATOM 1119 C ARG A 82 3.380 -11.750 -28.549 1.00 12.15 C ATOM 1120 O ARG A 82 4.460 -12.119 -28.086 1.00 51.01 O ATOM 1121 CB ARG A 82 3.489 -9.266 -28.822 1.00 51.21 C ATOM 1122 CG ARG A 82 2.850 -8.844 -30.135 1.00 13.00 C ATOM 1123 CD ARG A 82 1.708 -7.865 -29.909 1.00 72.45 C ATOM 1124 NE ARG A 82 1.741 -6.758 -30.861 1.00 15.55 N ATOM 1125 CZ ARG A 82 0.734 -5.908 -31.034 1.00 2.10 C ATOM 1126 NH1 ARG A 82 -0.378 -6.038 -30.324 1.00 62.50 N ATOM 1127 NH2 ARG A 82 0.839 -4.925 -31.919 1.00 5.21 N ATOM 0 H ARG A 82 3.744 -10.045 -26.314 1.00 74.14 H new ATOM 0 HA ARG A 82 1.715 -10.413 -28.431 1.00 34.50 H new ATOM 0 HB2 ARG A 82 3.517 -8.409 -28.149 1.00 51.21 H new ATOM 0 HB3 ARG A 82 4.522 -9.559 -29.008 1.00 51.21 H new ATOM 0 HG2 ARG A 82 3.603 -8.385 -30.776 1.00 13.00 H new ATOM 0 HG3 ARG A 82 2.478 -9.724 -30.659 1.00 13.00 H new ATOM 0 HD2 ARG A 82 0.757 -8.391 -29.997 1.00 72.45 H new ATOM 0 HD3 ARG A 82 1.763 -7.472 -28.894 1.00 72.45 H new ATOM 0 HE ARG A 82 2.582 -6.630 -31.423 1.00 15.55 H new ATOM 0 HH11 ARG A 82 -0.463 -6.792 -29.642 1.00 62.50 H new ATOM 0 HH12 ARG A 82 -1.149 -5.384 -30.459 1.00 62.50 H new ATOM 0 HH21 ARG A 82 1.693 -4.821 -32.467 1.00 5.21 H new ATOM 0 HH22 ARG A 82 0.066 -4.273 -32.051 1.00 5.21 H new ATOM 1141 N THR A 83 2.687 -12.468 -29.428 1.00 1.54 N ATOM 1142 CA THR A 83 3.166 -13.757 -29.908 1.00 63.23 C ATOM 1143 C THR A 83 3.736 -13.642 -31.318 1.00 12.34 C ATOM 1144 O THR A 83 3.032 -13.262 -32.253 1.00 73.45 O ATOM 1145 CB THR A 83 2.042 -14.811 -29.906 1.00 5.42 C ATOM 1146 OG1 THR A 83 0.768 -14.168 -30.021 1.00 42.32 O ATOM 1147 CG2 THR A 83 2.083 -15.642 -28.633 1.00 21.33 C ATOM 0 H THR A 83 1.792 -12.178 -29.821 1.00 1.54 H new ATOM 0 HA THR A 83 3.954 -14.075 -29.225 1.00 63.23 H new ATOM 0 HB THR A 83 2.193 -15.473 -30.759 1.00 5.42 H new ATOM 0 HG1 THR A 83 0.059 -14.844 -30.021 1.00 42.32 H new ATOM 0 HG21 THR A 83 1.280 -16.379 -28.654 1.00 21.33 H new ATOM 0 HG22 THR A 83 3.043 -16.153 -28.563 1.00 21.33 H new ATOM 0 HG23 THR A 83 1.955 -14.990 -27.769 1.00 21.33 H new ATOM 1155 N VAL A 84 5.015 -13.972 -31.463 1.00 3.32 N ATOM 1156 CA VAL A 84 5.679 -13.907 -32.759 1.00 42.42 C ATOM 1157 C VAL A 84 5.522 -15.216 -33.524 1.00 32.24 C ATOM 1158 O VAL A 84 5.566 -15.239 -34.753 1.00 3.12 O ATOM 1159 CB VAL A 84 7.179 -13.591 -32.606 1.00 61.15 C ATOM 1160 CG1 VAL A 84 7.899 -14.741 -31.919 1.00 4.22 C ATOM 1161 CG2 VAL A 84 7.802 -13.296 -33.963 1.00 12.13 C ATOM 0 H VAL A 84 5.612 -14.287 -30.699 1.00 3.32 H new ATOM 0 HA VAL A 84 5.201 -13.103 -33.319 1.00 42.42 H new ATOM 0 HB VAL A 84 7.284 -12.703 -31.982 1.00 61.15 H new ATOM 0 HG11 VAL A 84 8.957 -14.500 -31.820 1.00 4.22 H new ATOM 0 HG12 VAL A 84 7.469 -14.901 -30.930 1.00 4.22 H new ATOM 0 HG13 VAL A 84 7.788 -15.647 -32.514 1.00 4.22 H new ATOM 0 HG21 VAL A 84 8.862 -13.075 -33.836 1.00 12.13 H new ATOM 0 HG22 VAL A 84 7.687 -14.164 -34.612 1.00 12.13 H new ATOM 0 HG23 VAL A 84 7.304 -12.438 -34.413 1.00 12.13 H new ATOM 1171 N GLY A 85 5.337 -16.307 -32.786 1.00 71.13 N ATOM 1172 CA GLY A 85 5.175 -17.607 -33.412 1.00 1.43 C ATOM 1173 C GLY A 85 4.196 -18.491 -32.666 1.00 33.10 C ATOM 1174 O GLY A 85 4.083 -19.683 -32.953 1.00 12.24 O ATOM 0 H GLY A 85 5.296 -16.314 -31.767 1.00 71.13 H new ATOM 0 HA2 GLY A 85 4.830 -17.473 -34.437 1.00 1.43 H new ATOM 0 HA3 GLY A 85 6.143 -18.105 -33.464 1.00 1.43 H new TER 1178 GLY A 85