USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 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 57 ASN : amide:sc= 0.182 K(o=0.38,f=-1.5!) USER MOD Set 1.2: A 80 SER OG : rot 172:sc= 0.197 USER MOD Set 2.1: A 55 GLN : amide:sc= -0.523 K(o=-1,f=-1.6!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -0.476 K(o=-1,f=-1.8) USER MOD Set 3.1: A 26 ASN : amide:sc= 0 X(o=1.2,f=0.89) USER MOD Set 3.2: A 81 SER OG : rot 43:sc= 1.16 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 66:sc= -0.13 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.664 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.16 X(o=-3.2,f=-3.5) USER MOD Single : A 41 SER OG : rot -97:sc= -1.15 USER MOD Single : A 42 SER OG : rot -20:sc= -2.15 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -42:sc= 0.868 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 140:sc= -0.41 USER MOD Single : A 77 ASN : amide:sc= -0.0176 K(o=-0.018,f=-2) USER MOD Single : A 85 SER OG : rot 180:sc= -1.09 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 5.234 3.639 -0.998 1.00 62.53 N ATOM 24 CA LYS A 3 5.238 5.069 -0.714 1.00 25.53 C ATOM 25 C LYS A 3 6.467 5.457 0.103 1.00 51.12 C ATOM 26 O LYS A 3 6.369 6.210 1.073 1.00 74.25 O ATOM 27 CB LYS A 3 3.966 5.463 0.040 1.00 44.21 C ATOM 28 CG LYS A 3 2.729 5.512 -0.839 1.00 72.43 C ATOM 29 CD LYS A 3 1.705 4.471 -0.419 1.00 31.43 C ATOM 30 CE LYS A 3 0.299 4.868 -0.844 1.00 25.34 C ATOM 31 NZ LYS A 3 -0.068 4.281 -2.162 1.00 31.20 N ATOM 0 HA LYS A 3 5.271 5.603 -1.663 1.00 25.53 H new ATOM 0 HB2 LYS A 3 3.799 4.752 0.849 1.00 44.21 H new ATOM 0 HB3 LYS A 3 4.114 6.440 0.499 1.00 44.21 H new ATOM 0 HG2 LYS A 3 2.283 6.505 -0.786 1.00 72.43 H new ATOM 0 HG3 LYS A 3 3.013 5.346 -1.878 1.00 72.43 H new ATOM 0 HD2 LYS A 3 1.961 3.508 -0.861 1.00 31.43 H new ATOM 0 HD3 LYS A 3 1.737 4.344 0.663 1.00 31.43 H new ATOM 0 HE2 LYS A 3 -0.415 4.540 -0.089 1.00 25.34 H new ATOM 0 HE3 LYS A 3 0.229 5.954 -0.898 1.00 25.34 H new ATOM 0 HZ1 LYS A 3 -1.033 4.575 -2.416 1.00 31.20 H new ATOM 0 HZ2 LYS A 3 0.598 4.614 -2.888 1.00 31.20 H new ATOM 0 HZ3 LYS A 3 -0.026 3.243 -2.104 1.00 31.20 H new ATOM 45 N THR A 4 7.625 4.940 -0.296 1.00 40.22 N ATOM 46 CA THR A 4 8.872 5.233 0.398 1.00 4.31 C ATOM 47 C THR A 4 10.078 4.885 -0.467 1.00 62.21 C ATOM 48 O THR A 4 10.025 3.964 -1.283 1.00 14.14 O ATOM 49 CB THR A 4 8.970 4.463 1.728 1.00 35.33 C ATOM 50 OG1 THR A 4 10.294 4.570 2.261 1.00 3.01 O ATOM 51 CG2 THR A 4 8.614 2.997 1.532 1.00 73.23 C ATOM 0 H THR A 4 7.725 4.316 -1.097 1.00 40.22 H new ATOM 0 HA THR A 4 8.873 6.303 0.605 1.00 4.31 H new ATOM 0 HB THR A 4 8.261 4.903 2.429 1.00 35.33 H new ATOM 0 HG1 THR A 4 10.475 5.502 2.504 1.00 3.01 H new ATOM 0 HG21 THR A 4 8.690 2.473 2.485 1.00 73.23 H new ATOM 0 HG22 THR A 4 7.594 2.917 1.155 1.00 73.23 H new ATOM 0 HG23 THR A 4 9.302 2.548 0.815 1.00 73.23 H new ATOM 59 N VAL A 5 11.166 5.626 -0.284 1.00 3.11 N ATOM 60 CA VAL A 5 12.387 5.394 -1.047 1.00 31.02 C ATOM 61 C VAL A 5 13.390 4.574 -0.243 1.00 51.20 C ATOM 62 O VAL A 5 13.768 4.949 0.867 1.00 50.51 O ATOM 63 CB VAL A 5 13.046 6.721 -1.469 1.00 32.31 C ATOM 64 CG1 VAL A 5 13.198 7.646 -0.271 1.00 41.14 C ATOM 65 CG2 VAL A 5 14.392 6.461 -2.127 1.00 25.52 C ATOM 0 H VAL A 5 11.227 6.392 0.386 1.00 3.11 H new ATOM 0 HA VAL A 5 12.101 4.839 -1.940 1.00 31.02 H new ATOM 0 HB VAL A 5 12.401 7.212 -2.197 1.00 32.31 H new ATOM 0 HG11 VAL A 5 13.665 8.578 -0.588 1.00 41.14 H new ATOM 0 HG12 VAL A 5 12.216 7.858 0.152 1.00 41.14 H new ATOM 0 HG13 VAL A 5 13.822 7.166 0.483 1.00 41.14 H new ATOM 0 HG21 VAL A 5 14.844 7.409 -2.419 1.00 25.52 H new ATOM 0 HG22 VAL A 5 15.048 5.948 -1.424 1.00 25.52 H new ATOM 0 HG23 VAL A 5 14.251 5.839 -3.011 1.00 25.52 H new ATOM 75 N LYS A 6 13.818 3.452 -0.811 1.00 25.02 N ATOM 76 CA LYS A 6 14.780 2.578 -0.149 1.00 72.11 C ATOM 77 C LYS A 6 16.210 2.982 -0.494 1.00 13.03 C ATOM 78 O LYS A 6 16.646 2.846 -1.638 1.00 34.23 O ATOM 79 CB LYS A 6 14.539 1.122 -0.553 1.00 74.34 C ATOM 80 CG LYS A 6 13.262 0.534 0.022 1.00 55.30 C ATOM 81 CD LYS A 6 12.205 0.336 -1.052 1.00 44.24 C ATOM 82 CE LYS A 6 10.813 0.226 -0.451 1.00 74.02 C ATOM 83 NZ LYS A 6 10.563 -1.124 0.125 1.00 35.12 N ATOM 0 H LYS A 6 13.514 3.126 -1.728 1.00 25.02 H new ATOM 0 HA LYS A 6 14.643 2.678 0.928 1.00 72.11 H new ATOM 0 HB2 LYS A 6 14.501 1.057 -1.640 1.00 74.34 H new ATOM 0 HB3 LYS A 6 15.386 0.518 -0.227 1.00 74.34 H new ATOM 0 HG2 LYS A 6 13.482 -0.422 0.497 1.00 55.30 H new ATOM 0 HG3 LYS A 6 12.874 1.194 0.798 1.00 55.30 H new ATOM 0 HD2 LYS A 6 12.235 1.171 -1.752 1.00 44.24 H new ATOM 0 HD3 LYS A 6 12.429 -0.566 -1.622 1.00 44.24 H new ATOM 0 HE2 LYS A 6 10.692 0.981 0.326 1.00 74.02 H new ATOM 0 HE3 LYS A 6 10.068 0.437 -1.218 1.00 74.02 H new ATOM 0 HZ1 LYS A 6 9.604 -1.159 0.525 1.00 35.12 H new ATOM 0 HZ2 LYS A 6 10.653 -1.842 -0.622 1.00 35.12 H new ATOM 0 HZ3 LYS A 6 11.258 -1.316 0.875 1.00 35.12 H new ATOM 97 N LEU A 7 16.936 3.478 0.502 1.00 34.11 N ATOM 98 CA LEU A 7 18.318 3.900 0.305 1.00 51.53 C ATOM 99 C LEU A 7 19.265 2.706 0.356 1.00 1.15 C ATOM 100 O LEU A 7 19.260 1.938 1.319 1.00 41.20 O ATOM 101 CB LEU A 7 18.715 4.927 1.367 1.00 52.11 C ATOM 102 CG LEU A 7 18.196 6.349 1.153 1.00 52.42 C ATOM 103 CD1 LEU A 7 18.031 7.064 2.485 1.00 23.12 C ATOM 104 CD2 LEU A 7 19.133 7.127 0.240 1.00 11.45 C ATOM 0 H LEU A 7 16.590 3.598 1.454 1.00 34.11 H new ATOM 0 HA LEU A 7 18.395 4.358 -0.681 1.00 51.53 H new ATOM 0 HB2 LEU A 7 18.360 4.574 2.335 1.00 52.11 H new ATOM 0 HB3 LEU A 7 19.803 4.963 1.420 1.00 52.11 H new ATOM 0 HG LEU A 7 17.219 6.290 0.673 1.00 52.42 H new ATOM 0 HD11 LEU A 7 17.661 8.075 2.312 1.00 23.12 H new ATOM 0 HD12 LEU A 7 17.320 6.518 3.105 1.00 23.12 H new ATOM 0 HD13 LEU A 7 18.994 7.112 2.994 1.00 23.12 H new ATOM 0 HD21 LEU A 7 18.748 8.137 0.099 1.00 11.45 H new ATOM 0 HD22 LEU A 7 20.124 7.176 0.692 1.00 11.45 H new ATOM 0 HD23 LEU A 7 19.199 6.626 -0.726 1.00 11.45 H new ATOM 116 N TYR A 8 20.078 2.557 -0.683 1.00 71.24 N ATOM 117 CA TYR A 8 21.031 1.456 -0.757 1.00 21.13 C ATOM 118 C TYR A 8 22.464 1.978 -0.809 1.00 54.13 C ATOM 119 O TYR A 8 22.766 2.918 -1.544 1.00 21.31 O ATOM 120 CB TYR A 8 20.747 0.589 -1.984 1.00 61.33 C ATOM 121 CG TYR A 8 19.446 -0.176 -1.898 1.00 14.13 C ATOM 122 CD1 TYR A 8 18.239 0.429 -2.226 1.00 35.23 C ATOM 123 CD2 TYR A 8 19.423 -1.504 -1.489 1.00 2.34 C ATOM 124 CE1 TYR A 8 17.047 -0.266 -2.147 1.00 41.12 C ATOM 125 CE2 TYR A 8 18.237 -2.207 -1.409 1.00 14.44 C ATOM 126 CZ TYR A 8 17.051 -1.583 -1.738 1.00 62.23 C ATOM 127 OH TYR A 8 15.867 -2.279 -1.660 1.00 54.02 O ATOM 0 H TYR A 8 20.096 3.185 -1.486 1.00 71.24 H new ATOM 0 HA TYR A 8 20.917 0.850 0.142 1.00 21.13 H new ATOM 0 HB2 TYR A 8 20.727 1.224 -2.870 1.00 61.33 H new ATOM 0 HB3 TYR A 8 21.566 -0.118 -2.116 1.00 61.33 H new ATOM 0 HD1 TYR A 8 18.232 1.460 -2.548 1.00 35.23 H new ATOM 0 HD2 TYR A 8 20.349 -1.995 -1.229 1.00 2.34 H new ATOM 0 HE1 TYR A 8 16.117 0.220 -2.404 1.00 41.12 H new ATOM 0 HE2 TYR A 8 18.238 -3.239 -1.091 1.00 14.44 H new ATOM 0 HH TYR A 8 16.045 -3.194 -1.357 1.00 54.02 H new ATOM 137 N GLU A 9 23.341 1.360 -0.025 1.00 11.35 N ATOM 138 CA GLU A 9 24.742 1.763 0.019 1.00 71.52 C ATOM 139 C GLU A 9 25.520 1.148 -1.141 1.00 25.12 C ATOM 140 O GLU A 9 26.542 1.684 -1.570 1.00 5.04 O ATOM 141 CB GLU A 9 25.374 1.347 1.349 1.00 51.11 C ATOM 142 CG GLU A 9 25.642 -0.145 1.456 1.00 41.33 C ATOM 143 CD GLU A 9 25.344 -0.694 2.837 1.00 1.44 C ATOM 144 OE1 GLU A 9 25.560 0.039 3.825 1.00 0.34 O ATOM 145 OE2 GLU A 9 24.896 -1.855 2.931 1.00 34.11 O ATOM 0 H GLU A 9 23.107 0.579 0.588 1.00 11.35 H new ATOM 0 HA GLU A 9 24.785 2.848 -0.071 1.00 71.52 H new ATOM 0 HB2 GLU A 9 26.312 1.886 1.480 1.00 51.11 H new ATOM 0 HB3 GLU A 9 24.716 1.649 2.164 1.00 51.11 H new ATOM 0 HG2 GLU A 9 25.035 -0.673 0.721 1.00 41.33 H new ATOM 0 HG3 GLU A 9 26.685 -0.342 1.208 1.00 41.33 H new ATOM 152 N ASP A 10 25.030 0.020 -1.643 1.00 10.10 N ATOM 153 CA ASP A 10 25.678 -0.668 -2.753 1.00 65.21 C ATOM 154 C ASP A 10 24.855 -0.536 -4.030 1.00 52.32 C ATOM 155 O ASP A 10 23.659 -0.246 -3.984 1.00 34.11 O ATOM 156 CB ASP A 10 25.884 -2.146 -2.415 1.00 11.41 C ATOM 157 CG ASP A 10 27.279 -2.630 -2.758 1.00 51.35 C ATOM 158 OD1 ASP A 10 27.650 -2.571 -3.949 1.00 43.21 O ATOM 159 OD2 ASP A 10 27.999 -3.068 -1.837 1.00 31.21 O ATOM 0 H ASP A 10 24.186 -0.437 -1.299 1.00 10.10 H new ATOM 0 HA ASP A 10 26.649 -0.202 -2.919 1.00 65.21 H new ATOM 0 HB2 ASP A 10 25.700 -2.302 -1.352 1.00 11.41 H new ATOM 0 HB3 ASP A 10 25.152 -2.745 -2.956 1.00 11.41 H new ATOM 164 N THR A 11 25.503 -0.749 -5.171 1.00 51.53 N ATOM 165 CA THR A 11 24.832 -0.651 -6.461 1.00 52.23 C ATOM 166 C THR A 11 23.971 -1.881 -6.728 1.00 45.41 C ATOM 167 O THR A 11 24.176 -2.936 -6.127 1.00 51.13 O ATOM 168 CB THR A 11 25.844 -0.488 -7.610 1.00 44.45 C ATOM 169 OG1 THR A 11 26.492 -1.737 -7.874 1.00 22.22 O ATOM 170 CG2 THR A 11 26.886 0.567 -7.268 1.00 51.13 C ATOM 0 H THR A 11 26.492 -0.991 -5.228 1.00 51.53 H new ATOM 0 HA THR A 11 24.195 0.233 -6.419 1.00 52.23 H new ATOM 0 HB THR A 11 25.301 -0.166 -8.499 1.00 44.45 H new ATOM 0 HG1 THR A 11 27.133 -1.625 -8.607 1.00 22.22 H new ATOM 0 HG21 THR A 11 27.590 0.664 -8.094 1.00 51.13 H new ATOM 0 HG22 THR A 11 26.393 1.524 -7.097 1.00 51.13 H new ATOM 0 HG23 THR A 11 27.423 0.269 -6.367 1.00 51.13 H new ATOM 178 N HIS A 12 23.008 -1.738 -7.633 1.00 64.42 N ATOM 179 CA HIS A 12 22.117 -2.840 -7.981 1.00 1.54 C ATOM 180 C HIS A 12 21.278 -3.260 -6.777 1.00 41.45 C ATOM 181 O HIS A 12 20.698 -4.346 -6.761 1.00 3.41 O ATOM 182 CB HIS A 12 22.923 -4.032 -8.497 1.00 34.12 C ATOM 183 CG HIS A 12 22.460 -4.536 -9.829 1.00 40.33 C ATOM 184 ND1 HIS A 12 21.235 -5.138 -10.022 1.00 55.43 N ATOM 185 CD2 HIS A 12 23.066 -4.523 -11.040 1.00 11.34 C ATOM 186 CE1 HIS A 12 21.107 -5.475 -11.293 1.00 43.43 C ATOM 187 NE2 HIS A 12 22.205 -5.112 -11.932 1.00 51.04 N ATOM 0 H HIS A 12 22.825 -0.871 -8.138 1.00 64.42 H new ATOM 0 HA HIS A 12 21.445 -2.498 -8.768 1.00 1.54 H new ATOM 0 HB2 HIS A 12 23.972 -3.746 -8.571 1.00 34.12 H new ATOM 0 HB3 HIS A 12 22.864 -4.842 -7.770 1.00 34.12 H new ATOM 0 HD2 HIS A 12 24.044 -4.124 -11.262 1.00 11.34 H new ATOM 0 HE1 HIS A 12 20.251 -5.964 -11.734 1.00 43.43 H new ATOM 0 HE2 HIS A 12 22.384 -5.248 -12.927 1.00 51.04 H new ATOM 195 N PHE A 13 21.219 -2.393 -5.772 1.00 53.20 N ATOM 196 CA PHE A 13 20.452 -2.675 -4.564 1.00 2.31 C ATOM 197 C PHE A 13 20.893 -3.994 -3.936 1.00 10.55 C ATOM 198 O PHE A 13 20.068 -4.852 -3.621 1.00 52.53 O ATOM 199 CB PHE A 13 18.957 -2.723 -4.883 1.00 74.50 C ATOM 200 CG PHE A 13 18.501 -1.616 -5.790 1.00 33.23 C ATOM 201 CD1 PHE A 13 18.904 -0.309 -5.566 1.00 34.52 C ATOM 202 CD2 PHE A 13 17.670 -1.882 -6.866 1.00 53.00 C ATOM 203 CE1 PHE A 13 18.485 0.711 -6.398 1.00 51.32 C ATOM 204 CE2 PHE A 13 17.248 -0.865 -7.702 1.00 60.31 C ATOM 205 CZ PHE A 13 17.657 0.433 -7.468 1.00 61.13 C ATOM 0 H PHE A 13 21.693 -1.490 -5.770 1.00 53.20 H new ATOM 0 HA PHE A 13 20.638 -1.873 -3.850 1.00 2.31 H new ATOM 0 HB2 PHE A 13 18.723 -3.681 -5.347 1.00 74.50 H new ATOM 0 HB3 PHE A 13 18.393 -2.674 -3.951 1.00 74.50 H new ATOM 0 HD1 PHE A 13 19.553 -0.086 -4.732 1.00 34.52 H new ATOM 0 HD2 PHE A 13 17.348 -2.896 -7.054 1.00 53.00 H new ATOM 0 HE1 PHE A 13 18.805 1.726 -6.212 1.00 51.32 H new ATOM 0 HE2 PHE A 13 16.599 -1.085 -8.537 1.00 60.31 H new ATOM 0 HZ PHE A 13 17.330 1.229 -8.120 1.00 61.13 H new ATOM 215 N LYS A 14 22.200 -4.148 -3.756 1.00 23.44 N ATOM 216 CA LYS A 14 22.753 -5.361 -3.165 1.00 23.24 C ATOM 217 C LYS A 14 23.385 -5.066 -1.808 1.00 21.11 C ATOM 218 O LYS A 14 24.524 -4.608 -1.729 1.00 62.32 O ATOM 219 CB LYS A 14 23.794 -5.980 -4.100 1.00 64.10 C ATOM 220 CG LYS A 14 23.858 -7.496 -4.021 1.00 45.41 C ATOM 221 CD LYS A 14 22.859 -8.146 -4.963 1.00 41.21 C ATOM 222 CE LYS A 14 23.324 -8.068 -6.409 1.00 41.12 C ATOM 223 NZ LYS A 14 23.197 -9.379 -7.104 1.00 54.22 N ATOM 0 H LYS A 14 22.897 -3.448 -4.011 1.00 23.44 H new ATOM 0 HA LYS A 14 21.937 -6.069 -3.020 1.00 23.24 H new ATOM 0 HB2 LYS A 14 23.569 -5.687 -5.125 1.00 64.10 H new ATOM 0 HB3 LYS A 14 24.775 -5.570 -3.860 1.00 64.10 H new ATOM 0 HG2 LYS A 14 24.865 -7.832 -4.269 1.00 45.41 H new ATOM 0 HG3 LYS A 14 23.657 -7.817 -2.999 1.00 45.41 H new ATOM 0 HD2 LYS A 14 22.717 -9.189 -4.681 1.00 41.21 H new ATOM 0 HD3 LYS A 14 21.891 -7.655 -4.864 1.00 41.21 H new ATOM 0 HE2 LYS A 14 22.737 -7.318 -6.939 1.00 41.12 H new ATOM 0 HE3 LYS A 14 24.363 -7.740 -6.439 1.00 41.12 H new ATOM 0 HZ1 LYS A 14 23.524 -9.284 -8.087 1.00 54.22 H new ATOM 0 HZ2 LYS A 14 23.777 -10.090 -6.613 1.00 54.22 H new ATOM 0 HZ3 LYS A 14 22.202 -9.680 -7.098 1.00 54.22 H new ATOM 237 N GLY A 15 22.637 -5.333 -0.741 1.00 45.12 N ATOM 238 CA GLY A 15 23.142 -5.091 0.598 1.00 42.33 C ATOM 239 C GLY A 15 22.060 -4.618 1.548 1.00 4.53 C ATOM 240 O GLY A 15 20.985 -5.213 1.622 1.00 50.54 O ATOM 0 H GLY A 15 21.691 -5.712 -0.780 1.00 45.12 H new ATOM 0 HA2 GLY A 15 23.587 -6.007 0.986 1.00 42.33 H new ATOM 0 HA3 GLY A 15 23.935 -4.345 0.555 1.00 42.33 H new ATOM 244 N TYR A 16 22.345 -3.546 2.279 1.00 1.34 N ATOM 245 CA TYR A 16 21.390 -2.995 3.233 1.00 33.44 C ATOM 246 C TYR A 16 20.444 -2.012 2.551 1.00 12.34 C ATOM 247 O TYR A 16 20.742 -1.490 1.477 1.00 12.10 O ATOM 248 CB TYR A 16 22.125 -2.301 4.381 1.00 41.12 C ATOM 249 CG TYR A 16 21.309 -2.199 5.649 1.00 11.15 C ATOM 250 CD1 TYR A 16 21.101 -3.310 6.457 1.00 63.31 C ATOM 251 CD2 TYR A 16 20.746 -0.990 6.041 1.00 21.32 C ATOM 252 CE1 TYR A 16 20.356 -3.222 7.616 1.00 14.43 C ATOM 253 CE2 TYR A 16 20.000 -0.892 7.200 1.00 41.02 C ATOM 254 CZ TYR A 16 19.807 -2.010 7.984 1.00 63.43 C ATOM 255 OH TYR A 16 19.065 -1.918 9.139 1.00 40.33 O ATOM 0 H TYR A 16 23.230 -3.041 2.229 1.00 1.34 H new ATOM 0 HA TYR A 16 20.800 -3.819 3.635 1.00 33.44 H new ATOM 0 HB2 TYR A 16 23.045 -2.845 4.594 1.00 41.12 H new ATOM 0 HB3 TYR A 16 22.414 -1.299 4.063 1.00 41.12 H new ATOM 0 HD1 TYR A 16 21.530 -4.260 6.173 1.00 63.31 H new ATOM 0 HD2 TYR A 16 20.894 -0.112 5.429 1.00 21.32 H new ATOM 0 HE1 TYR A 16 20.204 -4.096 8.231 1.00 14.43 H new ATOM 0 HE2 TYR A 16 19.570 0.055 7.490 1.00 41.02 H new ATOM 0 HH TYR A 16 18.752 -0.997 9.254 1.00 40.33 H new ATOM 265 N SER A 17 19.302 -1.763 3.185 1.00 51.14 N ATOM 266 CA SER A 17 18.310 -0.844 2.639 1.00 74.42 C ATOM 267 C SER A 17 17.673 -0.011 3.747 1.00 33.51 C ATOM 268 O SER A 17 17.421 -0.507 4.846 1.00 44.03 O ATOM 269 CB SER A 17 17.229 -1.619 1.882 1.00 13.21 C ATOM 270 OG SER A 17 17.420 -3.017 2.009 1.00 71.22 O ATOM 0 H SER A 17 19.041 -2.185 4.076 1.00 51.14 H new ATOM 0 HA SER A 17 18.816 -0.170 1.948 1.00 74.42 H new ATOM 0 HB2 SER A 17 16.246 -1.347 2.266 1.00 13.21 H new ATOM 0 HB3 SER A 17 17.248 -1.340 0.828 1.00 13.21 H new ATOM 0 HG SER A 17 16.716 -3.489 1.518 1.00 71.22 H new ATOM 276 N VAL A 18 17.414 1.258 3.450 1.00 2.24 N ATOM 277 CA VAL A 18 16.806 2.161 4.420 1.00 52.41 C ATOM 278 C VAL A 18 15.636 2.921 3.804 1.00 1.25 C ATOM 279 O VAL A 18 15.831 3.859 3.033 1.00 53.54 O ATOM 280 CB VAL A 18 17.831 3.173 4.965 1.00 42.21 C ATOM 281 CG1 VAL A 18 17.191 4.070 6.013 1.00 2.24 C ATOM 282 CG2 VAL A 18 19.041 2.450 5.537 1.00 32.50 C ATOM 0 H VAL A 18 17.616 1.684 2.546 1.00 2.24 H new ATOM 0 HA VAL A 18 16.443 1.545 5.243 1.00 52.41 H new ATOM 0 HB VAL A 18 18.168 3.802 4.141 1.00 42.21 H new ATOM 0 HG11 VAL A 18 17.931 4.778 6.386 1.00 2.24 H new ATOM 0 HG12 VAL A 18 16.359 4.615 5.566 1.00 2.24 H new ATOM 0 HG13 VAL A 18 16.824 3.460 6.838 1.00 2.24 H new ATOM 0 HG21 VAL A 18 19.755 3.180 5.918 1.00 32.50 H new ATOM 0 HG22 VAL A 18 18.724 1.796 6.349 1.00 32.50 H new ATOM 0 HG23 VAL A 18 19.513 1.855 4.755 1.00 32.50 H new ATOM 292 N GLU A 19 14.421 2.509 4.152 1.00 1.15 N ATOM 293 CA GLU A 19 13.219 3.152 3.633 1.00 24.33 C ATOM 294 C GLU A 19 12.597 4.070 4.681 1.00 4.04 C ATOM 295 O GLU A 19 12.574 3.748 5.870 1.00 34.11 O ATOM 296 CB GLU A 19 12.201 2.098 3.193 1.00 14.41 C ATOM 297 CG GLU A 19 11.329 1.584 4.326 1.00 14.22 C ATOM 298 CD GLU A 19 12.138 0.981 5.458 1.00 50.51 C ATOM 299 OE1 GLU A 19 13.047 0.174 5.172 1.00 41.21 O ATOM 300 OE2 GLU A 19 11.863 1.316 6.629 1.00 53.41 O ATOM 0 H GLU A 19 14.243 1.734 4.790 1.00 1.15 H new ATOM 0 HA GLU A 19 13.503 3.755 2.771 1.00 24.33 H new ATOM 0 HB2 GLU A 19 11.563 2.523 2.418 1.00 14.41 H new ATOM 0 HB3 GLU A 19 12.731 1.258 2.744 1.00 14.41 H new ATOM 0 HG2 GLU A 19 10.723 2.403 4.714 1.00 14.22 H new ATOM 0 HG3 GLU A 19 10.640 0.834 3.938 1.00 14.22 H new ATOM 307 N LEU A 20 12.096 5.215 4.233 1.00 55.23 N ATOM 308 CA LEU A 20 11.473 6.182 5.131 1.00 63.12 C ATOM 309 C LEU A 20 10.339 6.923 4.431 1.00 12.41 C ATOM 310 O LEU A 20 10.355 7.131 3.218 1.00 45.23 O ATOM 311 CB LEU A 20 12.515 7.181 5.637 1.00 10.03 C ATOM 312 CG LEU A 20 13.548 7.651 4.613 1.00 51.14 C ATOM 313 CD1 LEU A 20 13.522 9.166 4.485 1.00 0.41 C ATOM 314 CD2 LEU A 20 14.939 7.170 4.999 1.00 42.34 C ATOM 0 H LEU A 20 12.109 5.497 3.253 1.00 55.23 H new ATOM 0 HA LEU A 20 11.057 5.638 5.979 1.00 63.12 H new ATOM 0 HB2 LEU A 20 11.992 8.056 6.024 1.00 10.03 H new ATOM 0 HB3 LEU A 20 13.044 6.729 6.476 1.00 10.03 H new ATOM 0 HG LEU A 20 13.293 7.221 3.645 1.00 51.14 H new ATOM 0 HD11 LEU A 20 14.264 9.482 3.752 1.00 0.41 H new ATOM 0 HD12 LEU A 20 12.532 9.487 4.161 1.00 0.41 H new ATOM 0 HD13 LEU A 20 13.751 9.617 5.451 1.00 0.41 H new ATOM 0 HD21 LEU A 20 15.661 7.514 4.259 1.00 42.34 H new ATOM 0 HD22 LEU A 20 15.204 7.570 5.978 1.00 42.34 H new ATOM 0 HD23 LEU A 20 14.950 6.081 5.038 1.00 42.34 H new ATOM 326 N PRO A 21 9.329 7.335 5.213 1.00 65.31 N ATOM 327 CA PRO A 21 8.169 8.062 4.690 1.00 1.23 C ATOM 328 C PRO A 21 8.525 9.475 4.240 1.00 64.23 C ATOM 329 O PRO A 21 9.653 9.931 4.427 1.00 64.13 O ATOM 330 CB PRO A 21 7.212 8.107 5.884 1.00 54.13 C ATOM 331 CG PRO A 21 8.092 7.996 7.080 1.00 2.22 C ATOM 332 CD PRO A 21 9.244 7.122 6.667 1.00 34.44 C ATOM 0 HA PRO A 21 7.750 7.580 3.807 1.00 1.23 H new ATOM 0 HB2 PRO A 21 6.640 9.035 5.898 1.00 54.13 H new ATOM 0 HB3 PRO A 21 6.492 7.290 5.845 1.00 54.13 H new ATOM 0 HG2 PRO A 21 8.442 8.978 7.399 1.00 2.22 H new ATOM 0 HG3 PRO A 21 7.554 7.560 7.922 1.00 2.22 H new ATOM 0 HD2 PRO A 21 10.167 7.410 7.170 1.00 34.44 H new ATOM 0 HD3 PRO A 21 9.062 6.075 6.910 1.00 34.44 H new ATOM 340 N VAL A 22 7.556 10.164 3.645 1.00 21.45 N ATOM 341 CA VAL A 22 7.767 11.526 3.170 1.00 63.54 C ATOM 342 C VAL A 22 8.409 12.391 4.248 1.00 45.01 C ATOM 343 O VAL A 22 8.092 12.266 5.430 1.00 65.51 O ATOM 344 CB VAL A 22 6.444 12.176 2.725 1.00 50.20 C ATOM 345 CG1 VAL A 22 5.421 12.130 3.850 1.00 24.30 C ATOM 346 CG2 VAL A 22 6.682 13.608 2.268 1.00 33.33 C ATOM 0 H VAL A 22 6.617 9.801 3.481 1.00 21.45 H new ATOM 0 HA VAL A 22 8.438 11.462 2.313 1.00 63.54 H new ATOM 0 HB VAL A 22 6.047 11.610 1.882 1.00 50.20 H new ATOM 0 HG11 VAL A 22 4.493 12.594 3.517 1.00 24.30 H new ATOM 0 HG12 VAL A 22 5.230 11.093 4.126 1.00 24.30 H new ATOM 0 HG13 VAL A 22 5.807 12.670 4.715 1.00 24.30 H new ATOM 0 HG21 VAL A 22 5.737 14.053 1.957 1.00 33.33 H new ATOM 0 HG22 VAL A 22 7.102 14.187 3.090 1.00 33.33 H new ATOM 0 HG23 VAL A 22 7.378 13.611 1.429 1.00 33.33 H new ATOM 356 N GLY A 23 9.315 13.271 3.831 1.00 11.34 N ATOM 357 CA GLY A 23 9.988 14.146 4.774 1.00 34.10 C ATOM 358 C GLY A 23 11.382 14.527 4.318 1.00 51.33 C ATOM 359 O GLY A 23 11.929 13.919 3.398 1.00 44.11 O ATOM 0 H GLY A 23 9.595 13.393 2.858 1.00 11.34 H new ATOM 0 HA2 GLY A 23 9.395 15.050 4.913 1.00 34.10 H new ATOM 0 HA3 GLY A 23 10.049 13.652 5.744 1.00 34.10 H new ATOM 363 N ASP A 24 11.957 15.538 4.960 1.00 22.43 N ATOM 364 CA ASP A 24 13.296 16.000 4.615 1.00 43.23 C ATOM 365 C ASP A 24 14.276 15.727 5.752 1.00 71.12 C ATOM 366 O ASP A 24 13.978 15.987 6.918 1.00 53.44 O ATOM 367 CB ASP A 24 13.275 17.495 4.291 1.00 21.14 C ATOM 368 CG ASP A 24 14.654 18.038 3.973 1.00 3.12 C ATOM 369 OD1 ASP A 24 15.474 18.160 4.907 1.00 24.04 O ATOM 370 OD2 ASP A 24 14.914 18.340 2.790 1.00 51.50 O ATOM 0 H ASP A 24 11.517 16.053 5.722 1.00 22.43 H new ATOM 0 HA ASP A 24 13.627 15.450 3.734 1.00 43.23 H new ATOM 0 HB2 ASP A 24 12.614 17.671 3.442 1.00 21.14 H new ATOM 0 HB3 ASP A 24 12.859 18.041 5.137 1.00 21.14 H new ATOM 375 N TYR A 25 15.445 15.200 5.405 1.00 73.32 N ATOM 376 CA TYR A 25 16.467 14.888 6.397 1.00 71.44 C ATOM 377 C TYR A 25 17.824 15.442 5.973 1.00 31.33 C ATOM 378 O TYR A 25 18.136 15.509 4.785 1.00 11.12 O ATOM 379 CB TYR A 25 16.563 13.375 6.602 1.00 31.11 C ATOM 380 CG TYR A 25 16.393 12.579 5.328 1.00 62.31 C ATOM 381 CD1 TYR A 25 15.166 12.525 4.678 1.00 64.15 C ATOM 382 CD2 TYR A 25 17.459 11.880 4.775 1.00 72.40 C ATOM 383 CE1 TYR A 25 15.006 11.798 3.514 1.00 43.35 C ATOM 384 CE2 TYR A 25 17.308 11.152 3.611 1.00 63.44 C ATOM 385 CZ TYR A 25 16.080 11.114 2.984 1.00 63.22 C ATOM 386 OH TYR A 25 15.926 10.389 1.825 1.00 71.35 O ATOM 0 H TYR A 25 15.708 14.980 4.444 1.00 73.32 H new ATOM 0 HA TYR A 25 16.180 15.358 7.338 1.00 71.44 H new ATOM 0 HB2 TYR A 25 17.531 13.137 7.042 1.00 31.11 H new ATOM 0 HB3 TYR A 25 15.802 13.065 7.318 1.00 31.11 H new ATOM 0 HD1 TYR A 25 14.323 13.060 5.090 1.00 64.15 H new ATOM 0 HD2 TYR A 25 18.422 11.906 5.264 1.00 72.40 H new ATOM 0 HE1 TYR A 25 14.045 11.766 3.022 1.00 43.35 H new ATOM 0 HE2 TYR A 25 18.147 10.615 3.194 1.00 63.44 H new ATOM 0 HH TYR A 25 16.779 9.969 1.586 1.00 71.35 H new ATOM 396 N ASN A 26 18.627 15.837 6.956 1.00 71.22 N ATOM 397 CA ASN A 26 19.951 16.385 6.687 1.00 42.32 C ATOM 398 C ASN A 26 21.035 15.346 6.954 1.00 23.35 C ATOM 399 O ASN A 26 20.743 14.167 7.159 1.00 23.33 O ATOM 400 CB ASN A 26 20.196 17.627 7.547 1.00 61.04 C ATOM 401 CG ASN A 26 19.037 18.603 7.496 1.00 14.11 C ATOM 402 OD1 ASN A 26 18.660 19.082 6.426 1.00 31.32 O ATOM 403 ND2 ASN A 26 18.465 18.903 8.657 1.00 40.15 N ATOM 0 H ASN A 26 18.384 15.788 7.945 1.00 71.22 H new ATOM 0 HA ASN A 26 19.994 16.665 5.635 1.00 42.32 H new ATOM 0 HB2 ASN A 26 20.366 17.323 8.580 1.00 61.04 H new ATOM 0 HB3 ASN A 26 21.104 18.127 7.208 1.00 61.04 H new ATOM 0 HD21 ASN A 26 17.680 19.554 8.686 1.00 40.15 H new ATOM 0 HD22 ASN A 26 18.810 18.482 9.520 1.00 40.15 H new ATOM 410 N LEU A 27 22.287 15.790 6.952 1.00 0.40 N ATOM 411 CA LEU A 27 23.416 14.899 7.195 1.00 1.24 C ATOM 412 C LEU A 27 23.248 14.155 8.516 1.00 12.44 C ATOM 413 O LEU A 27 23.367 12.931 8.571 1.00 41.54 O ATOM 414 CB LEU A 27 24.724 15.692 7.207 1.00 40.44 C ATOM 415 CG LEU A 27 25.952 14.955 7.743 1.00 74.15 C ATOM 416 CD1 LEU A 27 27.214 15.451 7.055 1.00 24.42 C ATOM 417 CD2 LEU A 27 26.061 15.126 9.251 1.00 54.44 C ATOM 0 H LEU A 27 22.546 16.762 6.785 1.00 0.40 H new ATOM 0 HA LEU A 27 23.449 14.167 6.388 1.00 1.24 H new ATOM 0 HB2 LEU A 27 24.937 16.018 6.189 1.00 40.44 H new ATOM 0 HB3 LEU A 27 24.575 16.591 7.805 1.00 40.44 H new ATOM 0 HG LEU A 27 25.838 13.893 7.526 1.00 74.15 H new ATOM 0 HD11 LEU A 27 28.078 14.915 7.449 1.00 24.42 H new ATOM 0 HD12 LEU A 27 27.137 15.275 5.982 1.00 24.42 H new ATOM 0 HD13 LEU A 27 27.334 16.518 7.240 1.00 24.42 H new ATOM 0 HD21 LEU A 27 26.941 14.595 9.615 1.00 54.44 H new ATOM 0 HD22 LEU A 27 26.152 16.185 9.491 1.00 54.44 H new ATOM 0 HD23 LEU A 27 25.169 14.721 9.729 1.00 54.44 H new ATOM 429 N SER A 28 22.968 14.903 9.579 1.00 11.11 N ATOM 430 CA SER A 28 22.784 14.315 10.901 1.00 65.23 C ATOM 431 C SER A 28 21.631 13.317 10.896 1.00 75.23 C ATOM 432 O SER A 28 21.740 12.221 11.446 1.00 4.20 O ATOM 433 CB SER A 28 22.523 15.409 11.937 1.00 11.05 C ATOM 434 OG SER A 28 23.145 15.100 13.173 1.00 54.21 O ATOM 0 H SER A 28 22.864 15.917 9.550 1.00 11.11 H new ATOM 0 HA SER A 28 23.699 13.785 11.166 1.00 65.23 H new ATOM 0 HB2 SER A 28 22.898 16.363 11.566 1.00 11.05 H new ATOM 0 HB3 SER A 28 21.449 15.525 12.086 1.00 11.05 H new ATOM 0 HG SER A 28 22.965 15.816 13.818 1.00 54.21 H new ATOM 440 N SER A 29 20.524 13.705 10.270 1.00 72.41 N ATOM 441 CA SER A 29 19.347 12.847 10.196 1.00 61.43 C ATOM 442 C SER A 29 19.669 11.545 9.469 1.00 61.52 C ATOM 443 O SER A 29 19.057 10.508 9.727 1.00 34.51 O ATOM 444 CB SER A 29 18.205 13.573 9.483 1.00 75.31 C ATOM 445 OG SER A 29 17.739 14.669 10.251 1.00 32.43 O ATOM 0 H SER A 29 20.418 14.608 9.807 1.00 72.41 H new ATOM 0 HA SER A 29 19.037 12.608 11.213 1.00 61.43 H new ATOM 0 HB2 SER A 29 18.546 13.926 8.510 1.00 75.31 H new ATOM 0 HB3 SER A 29 17.385 12.878 9.301 1.00 75.31 H new ATOM 0 HG SER A 29 17.011 15.117 9.773 1.00 32.43 H new ATOM 451 N LEU A 30 20.635 11.606 8.558 1.00 35.03 N ATOM 452 CA LEU A 30 21.040 10.432 7.792 1.00 12.45 C ATOM 453 C LEU A 30 21.841 9.467 8.659 1.00 24.43 C ATOM 454 O LEU A 30 21.734 8.249 8.512 1.00 74.15 O ATOM 455 CB LEU A 30 21.868 10.853 6.577 1.00 4.04 C ATOM 456 CG LEU A 30 21.085 11.428 5.397 1.00 13.10 C ATOM 457 CD1 LEU A 30 22.009 12.201 4.469 1.00 15.50 C ATOM 458 CD2 LEU A 30 20.372 10.318 4.639 1.00 75.01 C ATOM 0 H LEU A 30 21.152 12.456 8.332 1.00 35.03 H new ATOM 0 HA LEU A 30 20.139 9.922 7.451 1.00 12.45 H new ATOM 0 HB2 LEU A 30 22.597 11.596 6.900 1.00 4.04 H new ATOM 0 HB3 LEU A 30 22.429 9.986 6.227 1.00 4.04 H new ATOM 0 HG LEU A 30 20.334 12.117 5.785 1.00 13.10 H new ATOM 0 HD11 LEU A 30 21.434 12.603 3.635 1.00 15.50 H new ATOM 0 HD12 LEU A 30 22.473 13.020 5.018 1.00 15.50 H new ATOM 0 HD13 LEU A 30 22.783 11.535 4.088 1.00 15.50 H new ATOM 0 HD21 LEU A 30 19.820 10.746 3.802 1.00 75.01 H new ATOM 0 HD22 LEU A 30 21.106 9.605 4.263 1.00 75.01 H new ATOM 0 HD23 LEU A 30 19.679 9.807 5.308 1.00 75.01 H new ATOM 470 N ILE A 31 22.643 10.018 9.564 1.00 31.03 N ATOM 471 CA ILE A 31 23.460 9.205 10.457 1.00 53.21 C ATOM 472 C ILE A 31 22.619 8.142 11.156 1.00 60.03 C ATOM 473 O ILE A 31 23.115 7.067 11.493 1.00 34.11 O ATOM 474 CB ILE A 31 24.162 10.070 11.521 1.00 73.51 C ATOM 475 CG1 ILE A 31 24.926 11.216 10.855 1.00 32.21 C ATOM 476 CG2 ILE A 31 25.101 9.217 12.360 1.00 21.35 C ATOM 477 CD1 ILE A 31 25.884 10.758 9.778 1.00 41.01 C ATOM 0 H ILE A 31 22.745 11.024 9.698 1.00 31.03 H new ATOM 0 HA ILE A 31 24.215 8.719 9.839 1.00 53.21 H new ATOM 0 HB ILE A 31 23.405 10.497 12.179 1.00 73.51 H new ATOM 0 HG12 ILE A 31 24.211 11.915 10.421 1.00 32.21 H new ATOM 0 HG13 ILE A 31 25.483 11.762 11.617 1.00 32.21 H new ATOM 0 HG21 ILE A 31 25.590 9.842 13.108 1.00 21.35 H new ATOM 0 HG22 ILE A 31 24.532 8.432 12.859 1.00 21.35 H new ATOM 0 HG23 ILE A 31 25.855 8.765 11.716 1.00 21.35 H new ATOM 0 HD11 ILE A 31 26.391 11.623 9.350 1.00 41.01 H new ATOM 0 HD12 ILE A 31 26.622 10.083 10.211 1.00 41.01 H new ATOM 0 HD13 ILE A 31 25.331 10.238 8.996 1.00 41.01 H new ATOM 489 N SER A 32 21.343 8.449 11.368 1.00 4.33 N ATOM 490 CA SER A 32 20.433 7.521 12.029 1.00 63.03 C ATOM 491 C SER A 32 20.426 6.170 11.320 1.00 44.13 C ATOM 492 O SER A 32 20.538 5.122 11.956 1.00 14.12 O ATOM 493 CB SER A 32 19.017 8.099 12.062 1.00 2.15 C ATOM 494 OG SER A 32 18.938 9.202 12.948 1.00 12.33 O ATOM 0 H SER A 32 20.916 9.333 11.092 1.00 4.33 H new ATOM 0 HA SER A 32 20.782 7.374 13.051 1.00 63.03 H new ATOM 0 HB2 SER A 32 18.725 8.412 11.060 1.00 2.15 H new ATOM 0 HB3 SER A 32 18.313 7.327 12.373 1.00 2.15 H new ATOM 0 HG SER A 32 18.024 9.555 12.950 1.00 12.33 H new ATOM 500 N ARG A 33 20.295 6.203 9.998 1.00 40.44 N ATOM 501 CA ARG A 33 20.272 4.983 9.201 1.00 22.41 C ATOM 502 C ARG A 33 21.684 4.440 8.997 1.00 12.10 C ATOM 503 O ARG A 33 21.870 3.262 8.696 1.00 35.34 O ATOM 504 CB ARG A 33 19.614 5.245 7.845 1.00 3.22 C ATOM 505 CG ARG A 33 20.396 6.206 6.965 1.00 42.41 C ATOM 506 CD ARG A 33 20.467 5.714 5.528 1.00 62.30 C ATOM 507 NE ARG A 33 21.669 4.923 5.279 1.00 25.34 N ATOM 508 CZ ARG A 33 21.790 4.066 4.271 1.00 21.15 C ATOM 509 NH1 ARG A 33 20.787 3.891 3.422 1.00 20.33 N ATOM 510 NH2 ARG A 33 22.916 3.383 4.111 1.00 21.42 N ATOM 0 H ARG A 33 20.203 7.062 9.456 1.00 40.44 H new ATOM 0 HA ARG A 33 19.689 4.238 9.741 1.00 22.41 H new ATOM 0 HB2 ARG A 33 19.496 4.298 7.319 1.00 3.22 H new ATOM 0 HB3 ARG A 33 18.614 5.646 8.007 1.00 3.22 H new ATOM 0 HG2 ARG A 33 19.926 7.189 6.991 1.00 42.41 H new ATOM 0 HG3 ARG A 33 21.405 6.324 7.360 1.00 42.41 H new ATOM 0 HD2 ARG A 33 19.585 5.113 5.307 1.00 62.30 H new ATOM 0 HD3 ARG A 33 20.448 6.568 4.851 1.00 62.30 H new ATOM 0 HE ARG A 33 22.459 5.035 5.914 1.00 25.34 H new ATOM 0 HH11 ARG A 33 19.920 4.415 3.542 1.00 20.33 H new ATOM 0 HH12 ARG A 33 20.882 3.233 2.649 1.00 20.33 H new ATOM 0 HH21 ARG A 33 23.690 3.516 4.762 1.00 21.42 H new ATOM 0 HH22 ARG A 33 23.008 2.725 3.337 1.00 21.42 H new ATOM 524 N GLY A 34 22.676 5.309 9.162 1.00 2.54 N ATOM 525 CA GLY A 34 24.058 4.899 8.992 1.00 52.42 C ATOM 526 C GLY A 34 24.628 5.324 7.653 1.00 14.40 C ATOM 527 O GLY A 34 25.196 4.510 6.926 1.00 13.11 O ATOM 0 H GLY A 34 22.548 6.290 9.410 1.00 2.54 H new ATOM 0 HA2 GLY A 34 24.662 5.326 9.793 1.00 52.42 H new ATOM 0 HA3 GLY A 34 24.126 3.815 9.085 1.00 52.42 H new ATOM 531 N ALA A 35 24.474 6.603 7.326 1.00 43.25 N ATOM 532 CA ALA A 35 24.978 7.135 6.065 1.00 23.24 C ATOM 533 C ALA A 35 26.311 7.849 6.265 1.00 52.04 C ATOM 534 O ALA A 35 26.752 8.057 7.395 1.00 4.25 O ATOM 535 CB ALA A 35 23.959 8.079 5.445 1.00 33.24 C ATOM 0 H ALA A 35 24.005 7.290 7.916 1.00 43.25 H new ATOM 0 HA ALA A 35 25.142 6.299 5.385 1.00 23.24 H new ATOM 0 HB1 ALA A 35 24.349 8.468 4.504 1.00 33.24 H new ATOM 0 HB2 ALA A 35 23.030 7.540 5.258 1.00 33.24 H new ATOM 0 HB3 ALA A 35 23.767 8.906 6.128 1.00 33.24 H new ATOM 541 N LEU A 36 26.948 8.222 5.160 1.00 33.20 N ATOM 542 CA LEU A 36 28.231 8.913 5.213 1.00 24.23 C ATOM 543 C LEU A 36 28.148 10.270 4.523 1.00 41.42 C ATOM 544 O LEU A 36 29.067 11.083 4.617 1.00 12.02 O ATOM 545 CB LEU A 36 29.319 8.060 4.558 1.00 43.43 C ATOM 546 CG LEU A 36 29.154 6.546 4.686 1.00 33.33 C ATOM 547 CD1 LEU A 36 28.244 6.013 3.590 1.00 12.23 C ATOM 548 CD2 LEU A 36 30.509 5.855 4.639 1.00 10.23 C ATOM 0 H LEU A 36 26.597 8.057 4.217 1.00 33.20 H new ATOM 0 HA LEU A 36 28.486 9.074 6.260 1.00 24.23 H new ATOM 0 HB2 LEU A 36 29.361 8.312 3.498 1.00 43.43 H new ATOM 0 HB3 LEU A 36 30.280 8.338 4.991 1.00 43.43 H new ATOM 0 HG LEU A 36 28.692 6.331 5.650 1.00 33.33 H new ATOM 0 HD11 LEU A 36 28.139 4.933 3.698 1.00 12.23 H new ATOM 0 HD12 LEU A 36 27.264 6.483 3.670 1.00 12.23 H new ATOM 0 HD13 LEU A 36 28.677 6.240 2.616 1.00 12.23 H new ATOM 0 HD21 LEU A 36 30.371 4.778 4.732 1.00 10.23 H new ATOM 0 HD22 LEU A 36 30.999 6.078 3.691 1.00 10.23 H new ATOM 0 HD23 LEU A 36 31.129 6.214 5.461 1.00 10.23 H new ATOM 560 N ASN A 37 27.039 10.509 3.830 1.00 1.23 N ATOM 561 CA ASN A 37 26.835 11.769 3.125 1.00 12.42 C ATOM 562 C ASN A 37 27.852 11.935 2.000 1.00 22.53 C ATOM 563 O ASN A 37 28.034 13.030 1.469 1.00 14.45 O ATOM 564 CB ASN A 37 26.939 12.945 4.099 1.00 51.23 C ATOM 565 CG ASN A 37 26.436 12.594 5.486 1.00 61.34 C ATOM 566 OD1 ASN A 37 27.221 12.429 6.419 1.00 3.35 O ATOM 567 ND2 ASN A 37 25.121 12.477 5.626 1.00 72.31 N ATOM 0 H ASN A 37 26.268 9.847 3.742 1.00 1.23 H new ATOM 0 HA ASN A 37 25.836 11.754 2.688 1.00 12.42 H new ATOM 0 HB2 ASN A 37 27.978 13.269 4.164 1.00 51.23 H new ATOM 0 HB3 ASN A 37 26.366 13.787 3.710 1.00 51.23 H new ATOM 0 HD21 ASN A 37 24.724 12.241 6.536 1.00 72.31 H new ATOM 0 HD22 ASN A 37 24.508 12.623 4.824 1.00 72.31 H new ATOM 574 N ASP A 38 28.512 10.839 1.642 1.00 64.11 N ATOM 575 CA ASP A 38 29.510 10.861 0.579 1.00 45.11 C ATOM 576 C ASP A 38 30.131 9.481 0.387 1.00 30.32 C ATOM 577 O ASP A 38 31.309 9.273 0.679 1.00 70.25 O ATOM 578 CB ASP A 38 30.602 11.885 0.896 1.00 73.20 C ATOM 579 CG ASP A 38 30.969 11.903 2.367 1.00 52.02 C ATOM 580 OD1 ASP A 38 31.156 10.812 2.945 1.00 41.14 O ATOM 581 OD2 ASP A 38 31.068 13.008 2.940 1.00 11.14 O ATOM 0 H ASP A 38 28.374 9.925 2.072 1.00 64.11 H new ATOM 0 HA ASP A 38 29.011 11.147 -0.347 1.00 45.11 H new ATOM 0 HB2 ASP A 38 31.490 11.659 0.306 1.00 73.20 H new ATOM 0 HB3 ASP A 38 30.264 12.877 0.597 1.00 73.20 H new ATOM 586 N ASP A 39 29.330 8.541 -0.103 1.00 64.11 N ATOM 587 CA ASP A 39 29.801 7.180 -0.334 1.00 34.13 C ATOM 588 C ASP A 39 28.656 6.279 -0.787 1.00 41.02 C ATOM 589 O ASP A 39 28.869 5.299 -1.503 1.00 1.24 O ATOM 590 CB ASP A 39 30.438 6.615 0.937 1.00 14.41 C ATOM 591 CG ASP A 39 30.528 5.102 0.916 1.00 5.33 C ATOM 592 OD1 ASP A 39 29.492 4.443 1.139 1.00 32.02 O ATOM 593 OD2 ASP A 39 31.636 4.577 0.678 1.00 45.21 O ATOM 0 H ASP A 39 28.352 8.696 -0.348 1.00 64.11 H new ATOM 0 HA ASP A 39 30.551 7.211 -1.124 1.00 34.13 H new ATOM 0 HB2 ASP A 39 31.437 7.034 1.056 1.00 14.41 H new ATOM 0 HB3 ASP A 39 29.855 6.929 1.803 1.00 14.41 H new ATOM 598 N LEU A 40 27.442 6.616 -0.366 1.00 2.12 N ATOM 599 CA LEU A 40 26.263 5.837 -0.728 1.00 10.23 C ATOM 600 C LEU A 40 26.271 5.495 -2.214 1.00 44.01 C ATOM 601 O LEU A 40 26.958 6.141 -3.006 1.00 31.30 O ATOM 602 CB LEU A 40 24.990 6.610 -0.378 1.00 20.12 C ATOM 603 CG LEU A 40 24.409 6.351 1.013 1.00 52.43 C ATOM 604 CD1 LEU A 40 23.816 4.953 1.092 1.00 53.31 C ATOM 605 CD2 LEU A 40 25.476 6.541 2.081 1.00 41.33 C ATOM 0 H LEU A 40 27.248 7.423 0.226 1.00 2.12 H new ATOM 0 HA LEU A 40 26.284 4.907 -0.160 1.00 10.23 H new ATOM 0 HB2 LEU A 40 25.199 7.676 -0.470 1.00 20.12 H new ATOM 0 HB3 LEU A 40 24.228 6.370 -1.119 1.00 20.12 H new ATOM 0 HG LEU A 40 23.612 7.072 1.192 1.00 52.43 H new ATOM 0 HD11 LEU A 40 23.408 4.787 2.089 1.00 53.31 H new ATOM 0 HD12 LEU A 40 23.021 4.853 0.353 1.00 53.31 H new ATOM 0 HD13 LEU A 40 24.594 4.216 0.891 1.00 53.31 H new ATOM 0 HD21 LEU A 40 25.044 6.353 3.064 1.00 41.33 H new ATOM 0 HD22 LEU A 40 26.295 5.844 1.905 1.00 41.33 H new ATOM 0 HD23 LEU A 40 25.854 7.563 2.040 1.00 41.33 H new ATOM 617 N SER A 41 25.503 4.477 -2.586 1.00 75.40 N ATOM 618 CA SER A 41 25.423 4.047 -3.977 1.00 55.43 C ATOM 619 C SER A 41 24.229 4.691 -4.676 1.00 73.44 C ATOM 620 O SER A 41 24.384 5.389 -5.678 1.00 61.22 O ATOM 621 CB SER A 41 25.315 2.523 -4.058 1.00 12.53 C ATOM 622 OG SER A 41 24.768 2.116 -5.300 1.00 30.43 O ATOM 0 H SER A 41 24.927 3.934 -1.943 1.00 75.40 H new ATOM 0 HA SER A 41 26.334 4.366 -4.483 1.00 55.43 H new ATOM 0 HB2 SER A 41 26.302 2.078 -3.928 1.00 12.53 H new ATOM 0 HB3 SER A 41 24.690 2.156 -3.244 1.00 12.53 H new ATOM 0 HG SER A 41 23.807 1.954 -5.197 1.00 30.43 H new ATOM 628 N SER A 42 23.037 4.449 -4.140 1.00 54.52 N ATOM 629 CA SER A 42 21.815 5.001 -4.714 1.00 13.23 C ATOM 630 C SER A 42 20.595 4.588 -3.895 1.00 5.12 C ATOM 631 O SER A 42 20.712 4.240 -2.720 1.00 50.41 O ATOM 632 CB SER A 42 21.651 4.537 -6.162 1.00 43.23 C ATOM 633 OG SER A 42 21.054 5.547 -6.957 1.00 33.10 O ATOM 0 H SER A 42 22.891 3.875 -3.310 1.00 54.52 H new ATOM 0 HA SER A 42 21.893 6.088 -4.695 1.00 13.23 H new ATOM 0 HB2 SER A 42 22.625 4.273 -6.575 1.00 43.23 H new ATOM 0 HB3 SER A 42 21.037 3.637 -6.191 1.00 43.23 H new ATOM 0 HG SER A 42 20.588 6.186 -6.378 1.00 33.10 H new ATOM 639 N ALA A 43 19.426 4.629 -4.525 1.00 11.44 N ATOM 640 CA ALA A 43 18.185 4.258 -3.856 1.00 71.14 C ATOM 641 C ALA A 43 17.096 3.919 -4.869 1.00 64.10 C ATOM 642 O ALA A 43 17.059 4.478 -5.965 1.00 42.31 O ATOM 643 CB ALA A 43 17.723 5.380 -2.938 1.00 45.13 C ATOM 0 H ALA A 43 19.312 4.915 -5.497 1.00 11.44 H new ATOM 0 HA ALA A 43 18.377 3.369 -3.256 1.00 71.14 H new ATOM 0 HB1 ALA A 43 16.795 5.088 -2.445 1.00 45.13 H new ATOM 0 HB2 ALA A 43 18.488 5.573 -2.186 1.00 45.13 H new ATOM 0 HB3 ALA A 43 17.554 6.283 -3.524 1.00 45.13 H new ATOM 649 N ARG A 44 16.213 2.999 -4.495 1.00 54.42 N ATOM 650 CA ARG A 44 15.124 2.585 -5.372 1.00 62.22 C ATOM 651 C ARG A 44 13.783 3.097 -4.854 1.00 64.22 C ATOM 652 O ARG A 44 13.438 2.896 -3.690 1.00 31.51 O ATOM 653 CB ARG A 44 15.089 1.060 -5.490 1.00 72.13 C ATOM 654 CG ARG A 44 14.528 0.564 -6.813 1.00 55.41 C ATOM 655 CD ARG A 44 13.013 0.693 -6.859 1.00 0.41 C ATOM 656 NE ARG A 44 12.424 -0.144 -7.900 1.00 74.11 N ATOM 657 CZ ARG A 44 11.140 -0.484 -7.931 1.00 31.35 C ATOM 658 NH1 ARG A 44 10.316 -0.060 -6.982 1.00 73.55 N ATOM 659 NH2 ARG A 44 10.678 -1.250 -8.911 1.00 43.22 N ATOM 0 H ARG A 44 16.230 2.526 -3.591 1.00 54.42 H new ATOM 0 HA ARG A 44 15.301 3.016 -6.358 1.00 62.22 H new ATOM 0 HB2 ARG A 44 16.100 0.671 -5.365 1.00 72.13 H new ATOM 0 HB3 ARG A 44 14.488 0.655 -4.676 1.00 72.13 H new ATOM 0 HG2 ARG A 44 14.968 1.133 -7.632 1.00 55.41 H new ATOM 0 HG3 ARG A 44 14.810 -0.478 -6.961 1.00 55.41 H new ATOM 0 HD2 ARG A 44 12.596 0.415 -5.891 1.00 0.41 H new ATOM 0 HD3 ARG A 44 12.743 1.734 -7.035 1.00 0.41 H new ATOM 0 HE ARG A 44 13.031 -0.487 -8.644 1.00 74.11 H new ATOM 0 HH11 ARG A 44 10.668 0.528 -6.227 1.00 73.55 H new ATOM 0 HH12 ARG A 44 9.331 -0.322 -7.008 1.00 73.55 H new ATOM 0 HH21 ARG A 44 11.309 -1.579 -9.642 1.00 43.22 H new ATOM 0 HH22 ARG A 44 9.692 -1.510 -8.933 1.00 43.22 H new ATOM 673 N VAL A 45 13.032 3.760 -5.727 1.00 50.50 N ATOM 674 CA VAL A 45 11.729 4.301 -5.359 1.00 10.15 C ATOM 675 C VAL A 45 10.611 3.627 -6.146 1.00 65.32 C ATOM 676 O VAL A 45 10.762 3.290 -7.321 1.00 11.11 O ATOM 677 CB VAL A 45 11.665 5.821 -5.596 1.00 55.53 C ATOM 678 CG1 VAL A 45 12.835 6.518 -4.919 1.00 15.24 C ATOM 679 CG2 VAL A 45 11.642 6.127 -7.086 1.00 61.24 C ATOM 0 H VAL A 45 13.303 3.936 -6.694 1.00 50.50 H new ATOM 0 HA VAL A 45 11.592 4.101 -4.296 1.00 10.15 H new ATOM 0 HB VAL A 45 10.743 6.201 -5.155 1.00 55.53 H new ATOM 0 HG11 VAL A 45 12.772 7.591 -5.098 1.00 15.24 H new ATOM 0 HG12 VAL A 45 12.802 6.326 -3.846 1.00 15.24 H new ATOM 0 HG13 VAL A 45 13.771 6.136 -5.327 1.00 15.24 H new ATOM 0 HG21 VAL A 45 11.597 7.206 -7.235 1.00 61.24 H new ATOM 0 HG22 VAL A 45 12.545 5.734 -7.552 1.00 61.24 H new ATOM 0 HG23 VAL A 45 10.767 5.661 -7.540 1.00 61.24 H new ATOM 689 N PRO A 46 9.461 3.424 -5.486 1.00 45.02 N ATOM 690 CA PRO A 46 8.295 2.789 -6.106 1.00 34.22 C ATOM 691 C PRO A 46 7.645 3.675 -7.163 1.00 43.12 C ATOM 692 O PRO A 46 8.131 4.768 -7.454 1.00 42.12 O ATOM 693 CB PRO A 46 7.340 2.575 -4.928 1.00 63.22 C ATOM 694 CG PRO A 46 7.727 3.614 -3.933 1.00 41.14 C ATOM 695 CD PRO A 46 9.212 3.800 -4.085 1.00 34.24 C ATOM 0 HA PRO A 46 8.562 1.871 -6.630 1.00 34.22 H new ATOM 0 HB2 PRO A 46 6.300 2.689 -5.235 1.00 63.22 H new ATOM 0 HB3 PRO A 46 7.442 1.572 -4.513 1.00 63.22 H new ATOM 0 HG2 PRO A 46 7.196 4.548 -4.117 1.00 41.14 H new ATOM 0 HG3 PRO A 46 7.475 3.298 -2.921 1.00 41.14 H new ATOM 0 HD2 PRO A 46 9.511 4.829 -3.886 1.00 34.24 H new ATOM 0 HD3 PRO A 46 9.769 3.167 -3.394 1.00 34.24 H new ATOM 703 N SER A 47 6.545 3.197 -7.735 1.00 14.22 N ATOM 704 CA SER A 47 5.831 3.945 -8.763 1.00 15.32 C ATOM 705 C SER A 47 4.961 5.033 -8.138 1.00 63.44 C ATOM 706 O SER A 47 3.994 4.743 -7.436 1.00 21.44 O ATOM 707 CB SER A 47 4.964 3.003 -9.601 1.00 24.45 C ATOM 708 OG SER A 47 5.756 2.019 -10.244 1.00 43.31 O ATOM 0 H SER A 47 6.129 2.295 -7.504 1.00 14.22 H new ATOM 0 HA SER A 47 6.569 4.420 -9.410 1.00 15.32 H new ATOM 0 HB2 SER A 47 4.225 2.519 -8.963 1.00 24.45 H new ATOM 0 HB3 SER A 47 4.414 3.577 -10.347 1.00 24.45 H new ATOM 0 HG SER A 47 5.179 1.428 -10.772 1.00 43.31 H new ATOM 714 N GLY A 48 5.314 6.287 -8.401 1.00 5.42 N ATOM 715 CA GLY A 48 4.558 7.400 -7.858 1.00 14.14 C ATOM 716 C GLY A 48 5.235 8.031 -6.658 1.00 2.44 C ATOM 717 O GLY A 48 4.571 8.440 -5.704 1.00 42.41 O ATOM 0 H GLY A 48 6.110 6.552 -8.981 1.00 5.42 H new ATOM 0 HA2 GLY A 48 4.422 8.155 -8.633 1.00 14.14 H new ATOM 0 HA3 GLY A 48 3.565 7.055 -7.571 1.00 14.14 H new ATOM 721 N LEU A 49 6.560 8.110 -6.702 1.00 65.01 N ATOM 722 CA LEU A 49 7.329 8.695 -5.609 1.00 24.30 C ATOM 723 C LEU A 49 8.402 9.639 -6.142 1.00 1.11 C ATOM 724 O LEU A 49 9.110 9.315 -7.096 1.00 0.24 O ATOM 725 CB LEU A 49 7.976 7.593 -4.768 1.00 21.23 C ATOM 726 CG LEU A 49 8.496 8.015 -3.393 1.00 54.41 C ATOM 727 CD1 LEU A 49 8.638 6.806 -2.482 1.00 5.43 C ATOM 728 CD2 LEU A 49 9.824 8.745 -3.526 1.00 42.23 C ATOM 0 H LEU A 49 7.125 7.776 -7.483 1.00 65.01 H new ATOM 0 HA LEU A 49 6.645 9.268 -4.983 1.00 24.30 H new ATOM 0 HB2 LEU A 49 7.247 6.795 -4.629 1.00 21.23 H new ATOM 0 HB3 LEU A 49 8.806 7.172 -5.335 1.00 21.23 H new ATOM 0 HG LEU A 49 7.773 8.697 -2.946 1.00 54.41 H new ATOM 0 HD11 LEU A 49 9.009 7.126 -1.508 1.00 5.43 H new ATOM 0 HD12 LEU A 49 7.667 6.326 -2.360 1.00 5.43 H new ATOM 0 HD13 LEU A 49 9.340 6.098 -2.923 1.00 5.43 H new ATOM 0 HD21 LEU A 49 10.179 9.038 -2.538 1.00 42.23 H new ATOM 0 HD22 LEU A 49 10.556 8.087 -3.994 1.00 42.23 H new ATOM 0 HD23 LEU A 49 9.690 9.634 -4.142 1.00 42.23 H new ATOM 740 N ARG A 50 8.518 10.807 -5.518 1.00 53.04 N ATOM 741 CA ARG A 50 9.505 11.798 -5.929 1.00 51.04 C ATOM 742 C ARG A 50 10.440 12.146 -4.774 1.00 74.35 C ATOM 743 O ARG A 50 10.035 12.142 -3.611 1.00 73.12 O ATOM 744 CB ARG A 50 8.809 13.063 -6.435 1.00 0.11 C ATOM 745 CG ARG A 50 9.747 14.041 -7.123 1.00 25.10 C ATOM 746 CD ARG A 50 9.110 15.414 -7.272 1.00 62.51 C ATOM 747 NE ARG A 50 9.699 16.174 -8.371 1.00 70.23 N ATOM 748 CZ ARG A 50 9.114 17.226 -8.933 1.00 62.12 C ATOM 749 NH1 ARG A 50 7.931 17.640 -8.501 1.00 43.41 N ATOM 750 NH2 ARG A 50 9.713 17.866 -9.929 1.00 62.03 N ATOM 0 H ARG A 50 7.941 11.090 -4.726 1.00 53.04 H new ATOM 0 HA ARG A 50 10.098 11.370 -6.737 1.00 51.04 H new ATOM 0 HB2 ARG A 50 8.019 12.779 -7.131 1.00 0.11 H new ATOM 0 HB3 ARG A 50 8.328 13.564 -5.595 1.00 0.11 H new ATOM 0 HG2 ARG A 50 10.669 14.127 -6.549 1.00 25.10 H new ATOM 0 HG3 ARG A 50 10.018 13.656 -8.106 1.00 25.10 H new ATOM 0 HD2 ARG A 50 8.039 15.300 -7.443 1.00 62.51 H new ATOM 0 HD3 ARG A 50 9.227 15.971 -6.342 1.00 62.51 H new ATOM 0 HE ARG A 50 10.609 15.881 -8.726 1.00 70.23 H new ATOM 0 HH11 ARG A 50 7.468 17.151 -7.735 1.00 43.41 H new ATOM 0 HH12 ARG A 50 7.484 18.448 -8.934 1.00 43.41 H new ATOM 0 HH21 ARG A 50 10.623 17.550 -10.264 1.00 62.03 H new ATOM 0 HH22 ARG A 50 9.263 18.674 -10.360 1.00 62.03 H new ATOM 764 N LEU A 51 11.691 12.445 -5.103 1.00 44.21 N ATOM 765 CA LEU A 51 12.685 12.795 -4.094 1.00 33.15 C ATOM 766 C LEU A 51 13.677 13.817 -4.637 1.00 43.45 C ATOM 767 O LEU A 51 13.883 13.914 -5.847 1.00 30.32 O ATOM 768 CB LEU A 51 13.429 11.543 -3.627 1.00 21.31 C ATOM 769 CG LEU A 51 14.193 10.774 -4.706 1.00 54.43 C ATOM 770 CD1 LEU A 51 15.578 11.369 -4.906 1.00 52.42 C ATOM 771 CD2 LEU A 51 14.291 9.300 -4.343 1.00 32.02 C ATOM 0 H LEU A 51 12.042 12.452 -6.061 1.00 44.21 H new ATOM 0 HA LEU A 51 12.164 13.238 -3.246 1.00 33.15 H new ATOM 0 HB2 LEU A 51 14.134 11.833 -2.848 1.00 21.31 H new ATOM 0 HB3 LEU A 51 12.708 10.866 -3.168 1.00 21.31 H new ATOM 0 HG LEU A 51 13.644 10.860 -5.644 1.00 54.43 H new ATOM 0 HD11 LEU A 51 16.107 10.809 -5.677 1.00 52.42 H new ATOM 0 HD12 LEU A 51 15.486 12.411 -5.213 1.00 52.42 H new ATOM 0 HD13 LEU A 51 16.136 11.314 -3.971 1.00 52.42 H new ATOM 0 HD21 LEU A 51 14.838 8.769 -5.122 1.00 32.02 H new ATOM 0 HD22 LEU A 51 14.816 9.193 -3.394 1.00 32.02 H new ATOM 0 HD23 LEU A 51 13.289 8.880 -4.252 1.00 32.02 H new ATOM 783 N GLU A 52 14.291 14.577 -3.735 1.00 70.13 N ATOM 784 CA GLU A 52 15.263 15.591 -4.126 1.00 2.02 C ATOM 785 C GLU A 52 16.571 15.415 -3.359 1.00 14.23 C ATOM 786 O GLU A 52 16.589 15.436 -2.128 1.00 0.31 O ATOM 787 CB GLU A 52 14.699 16.992 -3.880 1.00 21.15 C ATOM 788 CG GLU A 52 13.460 17.302 -4.702 1.00 51.32 C ATOM 789 CD GLU A 52 12.923 18.697 -4.445 1.00 31.23 C ATOM 790 OE1 GLU A 52 13.117 19.210 -3.323 1.00 43.33 O ATOM 791 OE2 GLU A 52 12.308 19.275 -5.366 1.00 23.52 O ATOM 0 H GLU A 52 14.133 14.510 -2.730 1.00 70.13 H new ATOM 0 HA GLU A 52 15.467 15.471 -5.190 1.00 2.02 H new ATOM 0 HB2 GLU A 52 14.459 17.097 -2.822 1.00 21.15 H new ATOM 0 HB3 GLU A 52 15.469 17.729 -4.107 1.00 21.15 H new ATOM 0 HG2 GLU A 52 13.696 17.197 -5.761 1.00 51.32 H new ATOM 0 HG3 GLU A 52 12.685 16.571 -4.474 1.00 51.32 H new ATOM 798 N VAL A 53 17.663 15.241 -4.095 1.00 44.13 N ATOM 799 CA VAL A 53 18.976 15.062 -3.486 1.00 33.11 C ATOM 800 C VAL A 53 19.680 16.400 -3.294 1.00 13.52 C ATOM 801 O VAL A 53 19.784 17.199 -4.225 1.00 61.44 O ATOM 802 CB VAL A 53 19.870 14.142 -4.338 1.00 74.14 C ATOM 803 CG1 VAL A 53 21.180 13.857 -3.621 1.00 65.14 C ATOM 804 CG2 VAL A 53 19.141 12.848 -4.668 1.00 54.13 C ATOM 0 H VAL A 53 17.665 15.220 -5.115 1.00 44.13 H new ATOM 0 HA VAL A 53 18.812 14.598 -2.513 1.00 33.11 H new ATOM 0 HB VAL A 53 20.099 14.652 -5.274 1.00 74.14 H new ATOM 0 HG11 VAL A 53 21.798 13.205 -4.238 1.00 65.14 H new ATOM 0 HG12 VAL A 53 21.707 14.794 -3.441 1.00 65.14 H new ATOM 0 HG13 VAL A 53 20.975 13.367 -2.669 1.00 65.14 H new ATOM 0 HG21 VAL A 53 19.787 12.210 -5.271 1.00 54.13 H new ATOM 0 HG22 VAL A 53 18.880 12.332 -3.744 1.00 54.13 H new ATOM 0 HG23 VAL A 53 18.232 13.074 -5.226 1.00 54.13 H new ATOM 814 N PHE A 54 20.162 16.640 -2.079 1.00 2.01 N ATOM 815 CA PHE A 54 20.857 17.883 -1.764 1.00 33.14 C ATOM 816 C PHE A 54 22.282 17.605 -1.295 1.00 0.54 C ATOM 817 O PHE A 54 22.499 17.145 -0.174 1.00 75.01 O ATOM 818 CB PHE A 54 20.095 18.658 -0.687 1.00 3.35 C ATOM 819 CG PHE A 54 18.603 18.594 -0.844 1.00 11.02 C ATOM 820 CD1 PHE A 54 17.993 19.066 -1.995 1.00 64.11 C ATOM 821 CD2 PHE A 54 17.810 18.062 0.160 1.00 14.21 C ATOM 822 CE1 PHE A 54 16.620 19.008 -2.143 1.00 63.12 C ATOM 823 CE2 PHE A 54 16.436 18.001 0.017 1.00 2.34 C ATOM 824 CZ PHE A 54 15.841 18.476 -1.135 1.00 72.20 C ATOM 0 H PHE A 54 20.084 15.990 -1.297 1.00 2.01 H new ATOM 0 HA PHE A 54 20.903 18.485 -2.671 1.00 33.14 H new ATOM 0 HB2 PHE A 54 20.366 18.265 0.293 1.00 3.35 H new ATOM 0 HB3 PHE A 54 20.410 19.701 -0.710 1.00 3.35 H new ATOM 0 HD1 PHE A 54 18.598 19.484 -2.786 1.00 64.11 H new ATOM 0 HD2 PHE A 54 18.270 17.691 1.064 1.00 14.21 H new ATOM 0 HE1 PHE A 54 16.157 19.378 -3.046 1.00 63.12 H new ATOM 0 HE2 PHE A 54 15.829 17.582 0.806 1.00 2.34 H new ATOM 0 HZ PHE A 54 14.768 18.431 -1.247 1.00 72.20 H new ATOM 834 N GLN A 55 23.249 17.889 -2.161 1.00 23.21 N ATOM 835 CA GLN A 55 24.654 17.669 -1.836 1.00 73.31 C ATOM 836 C GLN A 55 25.007 18.300 -0.493 1.00 62.44 C ATOM 837 O GLN A 55 25.685 17.688 0.333 1.00 63.55 O ATOM 838 CB GLN A 55 25.549 18.244 -2.935 1.00 23.22 C ATOM 839 CG GLN A 55 27.024 18.267 -2.567 1.00 41.33 C ATOM 840 CD GLN A 55 27.563 19.675 -2.405 1.00 51.05 C ATOM 841 OE1 GLN A 55 27.092 20.611 -3.053 1.00 20.41 O ATOM 842 NE2 GLN A 55 28.556 19.833 -1.538 1.00 13.11 N ATOM 0 H GLN A 55 23.086 18.272 -3.092 1.00 23.21 H new ATOM 0 HA GLN A 55 24.821 16.594 -1.767 1.00 73.31 H new ATOM 0 HB2 GLN A 55 25.419 17.656 -3.843 1.00 23.22 H new ATOM 0 HB3 GLN A 55 25.224 19.259 -3.163 1.00 23.22 H new ATOM 0 HG2 GLN A 55 27.171 17.716 -1.638 1.00 41.33 H new ATOM 0 HG3 GLN A 55 27.595 17.750 -3.338 1.00 41.33 H new ATOM 0 HE21 GLN A 55 28.916 19.030 -1.022 1.00 13.11 H new ATOM 0 HE22 GLN A 55 28.959 20.758 -1.387 1.00 13.11 H new ATOM 851 N HIS A 56 24.544 19.527 -0.282 1.00 12.34 N ATOM 852 CA HIS A 56 24.811 20.241 0.962 1.00 41.41 C ATOM 853 C HIS A 56 23.563 20.294 1.837 1.00 14.42 C ATOM 854 O HIS A 56 22.450 20.067 1.363 1.00 45.21 O ATOM 855 CB HIS A 56 25.301 21.659 0.665 1.00 13.23 C ATOM 856 CG HIS A 56 26.789 21.809 0.749 1.00 74.22 C ATOM 857 ND1 HIS A 56 27.548 21.231 1.744 1.00 45.01 N ATOM 858 CD2 HIS A 56 27.658 22.474 -0.048 1.00 14.34 C ATOM 859 CE1 HIS A 56 28.820 21.536 1.557 1.00 1.21 C ATOM 860 NE2 HIS A 56 28.913 22.290 0.476 1.00 24.51 N ATOM 0 H HIS A 56 23.982 20.048 -0.955 1.00 12.34 H new ATOM 0 HA HIS A 56 25.589 19.701 1.502 1.00 41.41 H new ATOM 0 HB2 HIS A 56 24.971 21.947 -0.333 1.00 13.23 H new ATOM 0 HB3 HIS A 56 24.834 22.350 1.367 1.00 13.23 H new ATOM 0 HD1 HIS A 56 27.185 20.658 2.505 1.00 45.01 H new ATOM 0 HD2 HIS A 56 27.410 23.043 -0.932 1.00 14.34 H new ATOM 0 HE1 HIS A 56 29.643 21.222 2.181 1.00 1.21 H new ATOM 868 N ASN A 57 23.756 20.595 3.117 1.00 14.14 N ATOM 869 CA ASN A 57 22.645 20.676 4.059 1.00 0.32 C ATOM 870 C ASN A 57 22.171 22.118 4.218 1.00 75.33 C ATOM 871 O ASN A 57 21.677 22.506 5.275 1.00 15.31 O ATOM 872 CB ASN A 57 23.060 20.112 5.419 1.00 22.23 C ATOM 873 CG ASN A 57 24.419 20.617 5.865 1.00 53.51 C ATOM 874 OD1 ASN A 57 25.408 19.885 5.831 1.00 52.23 O ATOM 875 ND2 ASN A 57 24.472 21.876 6.286 1.00 24.44 N ATOM 0 H ASN A 57 24.671 20.787 3.526 1.00 14.14 H new ATOM 0 HA ASN A 57 21.821 20.082 3.663 1.00 0.32 H new ATOM 0 HB2 ASN A 57 22.312 20.382 6.165 1.00 22.23 H new ATOM 0 HB3 ASN A 57 23.079 19.023 5.367 1.00 22.23 H new ATOM 0 HD21 ASN A 57 25.358 22.272 6.598 1.00 24.44 H new ATOM 0 HD22 ASN A 57 23.626 22.446 6.297 1.00 24.44 H new ATOM 882 N ASN A 58 22.324 22.905 3.158 1.00 1.32 N ATOM 883 CA ASN A 58 21.911 24.304 3.179 1.00 23.13 C ATOM 884 C ASN A 58 21.229 24.690 1.870 1.00 22.33 C ATOM 885 O ASN A 58 20.990 25.868 1.606 1.00 3.20 O ATOM 886 CB ASN A 58 23.119 25.210 3.424 1.00 5.23 C ATOM 887 CG ASN A 58 22.930 26.115 4.627 1.00 75.53 C ATOM 888 OD1 ASN A 58 22.504 25.668 5.692 1.00 21.02 O ATOM 889 ND2 ASN A 58 23.245 27.394 4.460 1.00 32.34 N ATOM 0 H ASN A 58 22.731 22.598 2.274 1.00 1.32 H new ATOM 0 HA ASN A 58 21.197 24.434 3.992 1.00 23.13 H new ATOM 0 HB2 ASN A 58 24.007 24.595 3.572 1.00 5.23 H new ATOM 0 HB3 ASN A 58 23.297 25.820 2.539 1.00 5.23 H new ATOM 0 HD21 ASN A 58 23.137 28.051 5.233 1.00 32.34 H new ATOM 0 HD22 ASN A 58 23.595 27.720 3.559 1.00 32.34 H new ATOM 896 N PHE A 59 20.918 23.688 1.054 1.00 13.13 N ATOM 897 CA PHE A 59 20.263 23.922 -0.228 1.00 23.12 C ATOM 898 C PHE A 59 21.015 24.973 -1.039 1.00 3.24 C ATOM 899 O PHE A 59 20.418 25.724 -1.810 1.00 73.33 O ATOM 900 CB PHE A 59 18.816 24.368 -0.012 1.00 34.43 C ATOM 901 CG PHE A 59 17.865 23.227 0.219 1.00 4.41 C ATOM 902 CD1 PHE A 59 17.933 22.477 1.382 1.00 71.54 C ATOM 903 CD2 PHE A 59 16.905 22.907 -0.726 1.00 74.22 C ATOM 904 CE1 PHE A 59 17.060 21.426 1.596 1.00 43.41 C ATOM 905 CE2 PHE A 59 16.029 21.858 -0.517 1.00 71.13 C ATOM 906 CZ PHE A 59 16.106 21.117 0.646 1.00 44.50 C ATOM 0 H PHE A 59 21.109 22.707 1.257 1.00 13.13 H new ATOM 0 HA PHE A 59 20.268 22.986 -0.786 1.00 23.12 H new ATOM 0 HB2 PHE A 59 18.776 25.043 0.843 1.00 34.43 H new ATOM 0 HB3 PHE A 59 18.485 24.936 -0.882 1.00 34.43 H new ATOM 0 HD1 PHE A 59 18.675 22.716 2.129 1.00 71.54 H new ATOM 0 HD2 PHE A 59 16.840 23.483 -1.637 1.00 74.22 H new ATOM 0 HE1 PHE A 59 17.124 20.847 2.505 1.00 43.41 H new ATOM 0 HE2 PHE A 59 15.285 21.618 -1.262 1.00 71.13 H new ATOM 0 HZ PHE A 59 15.422 20.298 0.812 1.00 44.50 H new ATOM 916 N LYS A 60 22.331 25.022 -0.858 1.00 33.15 N ATOM 917 CA LYS A 60 23.167 25.980 -1.571 1.00 71.33 C ATOM 918 C LYS A 60 23.776 25.347 -2.818 1.00 64.40 C ATOM 919 O LYS A 60 23.990 26.019 -3.826 1.00 24.20 O ATOM 920 CB LYS A 60 24.277 26.500 -0.656 1.00 3.22 C ATOM 921 CG LYS A 60 25.388 25.493 -0.414 1.00 22.02 C ATOM 922 CD LYS A 60 26.523 25.664 -1.410 1.00 74.01 C ATOM 923 CE LYS A 60 27.831 26.003 -0.712 1.00 71.13 C ATOM 924 NZ LYS A 60 29.012 25.533 -1.489 1.00 14.23 N ATOM 0 H LYS A 60 22.841 24.409 -0.223 1.00 33.15 H new ATOM 0 HA LYS A 60 22.538 26.815 -1.879 1.00 71.33 H new ATOM 0 HB2 LYS A 60 24.705 27.402 -1.094 1.00 3.22 H new ATOM 0 HB3 LYS A 60 23.842 26.786 0.302 1.00 3.22 H new ATOM 0 HG2 LYS A 60 25.772 25.610 0.600 1.00 22.02 H new ATOM 0 HG3 LYS A 60 24.987 24.482 -0.488 1.00 22.02 H new ATOM 0 HD2 LYS A 60 26.644 24.747 -1.986 1.00 74.01 H new ATOM 0 HD3 LYS A 60 26.272 26.454 -2.118 1.00 74.01 H new ATOM 0 HE2 LYS A 60 27.897 27.081 -0.568 1.00 71.13 H new ATOM 0 HE3 LYS A 60 27.843 25.548 0.278 1.00 71.13 H new ATOM 0 HZ1 LYS A 60 29.884 25.783 -0.980 1.00 14.23 H new ATOM 0 HZ2 LYS A 60 28.963 24.501 -1.605 1.00 14.23 H new ATOM 0 HZ3 LYS A 60 29.015 25.987 -2.425 1.00 14.23 H new ATOM 938 N GLY A 61 24.053 24.048 -2.742 1.00 53.25 N ATOM 939 CA GLY A 61 24.634 23.346 -3.872 1.00 54.41 C ATOM 940 C GLY A 61 23.593 22.924 -4.890 1.00 14.30 C ATOM 941 O GLY A 61 22.403 23.193 -4.720 1.00 62.23 O ATOM 0 H GLY A 61 23.885 23.470 -1.918 1.00 53.25 H new ATOM 0 HA2 GLY A 61 25.371 23.988 -4.355 1.00 54.41 H new ATOM 0 HA3 GLY A 61 25.166 22.464 -3.514 1.00 54.41 H new ATOM 945 N VAL A 62 24.040 22.263 -5.952 1.00 62.35 N ATOM 946 CA VAL A 62 23.139 21.803 -7.002 1.00 50.14 C ATOM 947 C VAL A 62 22.122 20.807 -6.457 1.00 23.32 C ATOM 948 O VAL A 62 22.489 19.767 -5.910 1.00 23.50 O ATOM 949 CB VAL A 62 23.914 21.147 -8.160 1.00 64.21 C ATOM 950 CG1 VAL A 62 24.795 20.020 -7.642 1.00 70.11 C ATOM 951 CG2 VAL A 62 22.953 20.637 -9.223 1.00 41.55 C ATOM 0 H VAL A 62 25.021 22.034 -6.109 1.00 62.35 H new ATOM 0 HA VAL A 62 22.616 22.683 -7.377 1.00 50.14 H new ATOM 0 HB VAL A 62 24.558 21.900 -8.616 1.00 64.21 H new ATOM 0 HG11 VAL A 62 25.335 19.568 -8.474 1.00 70.11 H new ATOM 0 HG12 VAL A 62 25.508 20.418 -6.920 1.00 70.11 H new ATOM 0 HG13 VAL A 62 24.174 19.265 -7.160 1.00 70.11 H new ATOM 0 HG21 VAL A 62 23.518 20.177 -10.034 1.00 41.55 H new ATOM 0 HG22 VAL A 62 22.282 19.899 -8.783 1.00 41.55 H new ATOM 0 HG23 VAL A 62 22.369 21.470 -9.615 1.00 41.55 H new ATOM 961 N ARG A 63 20.843 21.132 -6.610 1.00 33.44 N ATOM 962 CA ARG A 63 19.772 20.265 -6.131 1.00 41.25 C ATOM 963 C ARG A 63 19.270 19.354 -7.248 1.00 42.41 C ATOM 964 O ARG A 63 18.886 19.823 -8.320 1.00 12.34 O ATOM 965 CB ARG A 63 18.615 21.103 -5.583 1.00 44.05 C ATOM 966 CG ARG A 63 18.009 22.048 -6.608 1.00 1.11 C ATOM 967 CD ARG A 63 17.696 23.405 -5.997 1.00 74.02 C ATOM 968 NE ARG A 63 18.772 24.367 -6.218 1.00 61.33 N ATOM 969 CZ ARG A 63 18.898 25.499 -5.535 1.00 23.43 C ATOM 970 NH1 ARG A 63 18.020 25.809 -4.591 1.00 72.43 N ATOM 971 NH2 ARG A 63 19.905 26.323 -5.794 1.00 23.11 N ATOM 0 H ARG A 63 20.522 21.989 -7.061 1.00 33.44 H new ATOM 0 HA ARG A 63 20.172 19.643 -5.330 1.00 41.25 H new ATOM 0 HB2 ARG A 63 17.837 20.435 -5.213 1.00 44.05 H new ATOM 0 HB3 ARG A 63 18.969 21.683 -4.731 1.00 44.05 H new ATOM 0 HG2 ARG A 63 18.700 22.174 -7.442 1.00 1.11 H new ATOM 0 HG3 ARG A 63 17.096 21.611 -7.013 1.00 1.11 H new ATOM 0 HD2 ARG A 63 16.771 23.791 -6.426 1.00 74.02 H new ATOM 0 HD3 ARG A 63 17.527 23.290 -4.926 1.00 74.02 H new ATOM 0 HE ARG A 63 19.465 24.158 -6.937 1.00 61.33 H new ATOM 0 HH11 ARG A 63 17.245 25.177 -4.388 1.00 72.43 H new ATOM 0 HH12 ARG A 63 18.119 26.679 -4.068 1.00 72.43 H new ATOM 0 HH21 ARG A 63 20.583 26.087 -6.518 1.00 23.11 H new ATOM 0 HH22 ARG A 63 20.001 27.192 -5.269 1.00 23.11 H new ATOM 985 N ASP A 64 19.277 18.051 -6.990 1.00 3.43 N ATOM 986 CA ASP A 64 18.822 17.075 -7.972 1.00 64.53 C ATOM 987 C ASP A 64 17.447 16.530 -7.600 1.00 72.15 C ATOM 988 O ASP A 64 17.051 16.558 -6.435 1.00 55.31 O ATOM 989 CB ASP A 64 19.826 15.926 -8.084 1.00 3.03 C ATOM 990 CG ASP A 64 19.977 15.425 -9.507 1.00 33.45 C ATOM 991 OD1 ASP A 64 18.966 14.975 -10.088 1.00 5.34 O ATOM 992 OD2 ASP A 64 21.104 15.482 -10.039 1.00 45.23 O ATOM 0 H ASP A 64 19.593 17.646 -6.109 1.00 3.43 H new ATOM 0 HA ASP A 64 18.746 17.576 -8.937 1.00 64.53 H new ATOM 0 HB2 ASP A 64 20.796 16.258 -7.714 1.00 3.03 H new ATOM 0 HB3 ASP A 64 19.505 15.104 -7.445 1.00 3.03 H new ATOM 997 N PHE A 65 16.722 16.035 -8.599 1.00 4.14 N ATOM 998 CA PHE A 65 15.390 15.486 -8.377 1.00 72.30 C ATOM 999 C PHE A 65 15.233 14.140 -9.078 1.00 60.42 C ATOM 1000 O PHE A 65 15.513 14.012 -10.271 1.00 15.05 O ATOM 1001 CB PHE A 65 14.323 16.462 -8.878 1.00 30.43 C ATOM 1002 CG PHE A 65 14.612 17.017 -10.243 1.00 2.22 C ATOM 1003 CD1 PHE A 65 15.377 18.163 -10.391 1.00 54.22 C ATOM 1004 CD2 PHE A 65 14.119 16.394 -11.378 1.00 20.33 C ATOM 1005 CE1 PHE A 65 15.645 18.677 -11.646 1.00 51.01 C ATOM 1006 CE2 PHE A 65 14.384 16.903 -12.635 1.00 64.40 C ATOM 1007 CZ PHE A 65 15.147 18.046 -12.769 1.00 41.33 C ATOM 0 H PHE A 65 17.035 16.003 -9.569 1.00 4.14 H new ATOM 0 HA PHE A 65 15.260 15.335 -7.305 1.00 72.30 H new ATOM 0 HB2 PHE A 65 13.358 15.955 -8.898 1.00 30.43 H new ATOM 0 HB3 PHE A 65 14.235 17.286 -8.170 1.00 30.43 H new ATOM 0 HD1 PHE A 65 15.768 18.660 -9.516 1.00 54.22 H new ATOM 0 HD2 PHE A 65 13.521 15.500 -11.279 1.00 20.33 H new ATOM 0 HE1 PHE A 65 16.243 19.571 -11.748 1.00 51.01 H new ATOM 0 HE2 PHE A 65 13.995 16.407 -13.512 1.00 64.40 H new ATOM 0 HZ PHE A 65 15.354 18.446 -13.751 1.00 41.33 H new ATOM 1017 N TYR A 66 14.785 13.138 -8.329 1.00 51.24 N ATOM 1018 CA TYR A 66 14.594 11.800 -8.877 1.00 55.50 C ATOM 1019 C TYR A 66 13.179 11.298 -8.605 1.00 71.14 C ATOM 1020 O TYR A 66 12.599 11.574 -7.554 1.00 64.13 O ATOM 1021 CB TYR A 66 15.615 10.831 -8.280 1.00 13.15 C ATOM 1022 CG TYR A 66 16.683 10.398 -9.258 1.00 20.01 C ATOM 1023 CD1 TYR A 66 16.345 9.890 -10.506 1.00 55.33 C ATOM 1024 CD2 TYR A 66 18.031 10.495 -8.934 1.00 15.50 C ATOM 1025 CE1 TYR A 66 17.317 9.493 -11.403 1.00 61.44 C ATOM 1026 CE2 TYR A 66 19.010 10.102 -9.825 1.00 72.32 C ATOM 1027 CZ TYR A 66 18.648 9.601 -11.058 1.00 61.24 C ATOM 1028 OH TYR A 66 19.621 9.206 -11.948 1.00 54.14 O ATOM 0 H TYR A 66 14.547 13.227 -7.341 1.00 51.24 H new ATOM 0 HA TYR A 66 14.741 11.852 -9.956 1.00 55.50 H new ATOM 0 HB2 TYR A 66 16.091 11.302 -7.420 1.00 13.15 H new ATOM 0 HB3 TYR A 66 15.093 9.948 -7.911 1.00 13.15 H new ATOM 0 HD1 TYR A 66 15.304 9.804 -10.780 1.00 55.33 H new ATOM 0 HD2 TYR A 66 18.318 10.885 -7.968 1.00 15.50 H new ATOM 0 HE1 TYR A 66 17.037 9.100 -12.369 1.00 61.44 H new ATOM 0 HE2 TYR A 66 20.053 10.186 -9.558 1.00 72.32 H new ATOM 0 HH TYR A 66 20.505 9.349 -11.551 1.00 54.14 H new ATOM 1038 N THR A 67 12.627 10.557 -9.561 1.00 64.43 N ATOM 1039 CA THR A 67 11.281 10.015 -9.427 1.00 61.25 C ATOM 1040 C THR A 67 11.212 8.581 -9.940 1.00 21.32 C ATOM 1041 O THR A 67 10.144 8.094 -10.310 1.00 15.43 O ATOM 1042 CB THR A 67 10.253 10.871 -10.191 1.00 33.42 C ATOM 1043 OG1 THR A 67 8.926 10.420 -9.897 1.00 13.14 O ATOM 1044 CG2 THR A 67 10.497 10.800 -11.691 1.00 13.23 C ATOM 0 H THR A 67 13.092 10.319 -10.437 1.00 64.43 H new ATOM 0 HA THR A 67 11.038 10.030 -8.364 1.00 61.25 H new ATOM 0 HB THR A 67 10.365 11.907 -9.870 1.00 33.42 H new ATOM 0 HG1 THR A 67 8.906 9.440 -9.895 1.00 13.14 H new ATOM 0 HG21 THR A 67 9.759 11.412 -12.209 1.00 13.23 H new ATOM 0 HG22 THR A 67 11.497 11.171 -11.915 1.00 13.23 H new ATOM 0 HG23 THR A 67 10.410 9.766 -12.025 1.00 13.23 H new ATOM 1052 N SER A 68 12.358 7.908 -9.958 1.00 63.02 N ATOM 1053 CA SER A 68 12.428 6.529 -10.428 1.00 41.43 C ATOM 1054 C SER A 68 13.477 5.742 -9.648 1.00 75.25 C ATOM 1055 O SER A 68 14.058 6.244 -8.687 1.00 11.44 O ATOM 1056 CB SER A 68 12.754 6.494 -11.923 1.00 22.24 C ATOM 1057 OG SER A 68 12.955 7.801 -12.432 1.00 72.21 O ATOM 0 H SER A 68 13.251 8.295 -9.653 1.00 63.02 H new ATOM 0 HA SER A 68 11.455 6.065 -10.264 1.00 41.43 H new ATOM 0 HB2 SER A 68 13.649 5.894 -12.089 1.00 22.24 H new ATOM 0 HB3 SER A 68 11.941 6.011 -12.464 1.00 22.24 H new ATOM 0 HG SER A 68 13.163 7.751 -13.388 1.00 72.21 H new ATOM 1063 N ASP A 69 13.712 4.504 -10.070 1.00 44.54 N ATOM 1064 CA ASP A 69 14.691 3.646 -9.413 1.00 42.13 C ATOM 1065 C ASP A 69 16.104 4.189 -9.603 1.00 1.33 C ATOM 1066 O ASP A 69 16.755 3.915 -10.610 1.00 41.24 O ATOM 1067 CB ASP A 69 14.601 2.221 -9.962 1.00 4.22 C ATOM 1068 CG ASP A 69 14.680 2.177 -11.475 1.00 54.52 C ATOM 1069 OD1 ASP A 69 13.727 2.646 -12.132 1.00 34.01 O ATOM 1070 OD2 ASP A 69 15.694 1.674 -12.003 1.00 75.10 O ATOM 0 H ASP A 69 13.238 4.073 -10.864 1.00 44.54 H new ATOM 0 HA ASP A 69 14.467 3.631 -8.346 1.00 42.13 H new ATOM 0 HB2 ASP A 69 15.408 1.621 -9.541 1.00 4.22 H new ATOM 0 HB3 ASP A 69 13.664 1.768 -9.637 1.00 4.22 H new ATOM 1075 N ALA A 70 16.571 4.961 -8.627 1.00 44.52 N ATOM 1076 CA ALA A 70 17.907 5.542 -8.686 1.00 40.30 C ATOM 1077 C ALA A 70 18.979 4.473 -8.503 1.00 41.42 C ATOM 1078 O ALA A 70 19.132 3.914 -7.418 1.00 62.31 O ATOM 1079 CB ALA A 70 18.057 6.629 -7.631 1.00 70.34 C ATOM 0 H ALA A 70 16.044 5.198 -7.786 1.00 44.52 H new ATOM 0 HA ALA A 70 18.040 5.987 -9.672 1.00 40.30 H new ATOM 0 HB1 ALA A 70 19.059 7.054 -7.686 1.00 70.34 H new ATOM 0 HB2 ALA A 70 17.320 7.412 -7.808 1.00 70.34 H new ATOM 0 HB3 ALA A 70 17.899 6.200 -6.642 1.00 70.34 H new ATOM 1085 N ALA A 71 19.718 4.194 -9.572 1.00 2.41 N ATOM 1086 CA ALA A 71 20.777 3.193 -9.528 1.00 52.34 C ATOM 1087 C ALA A 71 22.097 3.810 -9.080 1.00 65.02 C ATOM 1088 O ALA A 71 22.954 3.126 -8.521 1.00 34.31 O ATOM 1089 CB ALA A 71 20.935 2.533 -10.890 1.00 44.52 C ATOM 0 H ALA A 71 19.603 4.647 -10.479 1.00 2.41 H new ATOM 0 HA ALA A 71 20.496 2.433 -8.799 1.00 52.34 H new ATOM 0 HB1 ALA A 71 21.729 1.788 -10.843 1.00 44.52 H new ATOM 0 HB2 ALA A 71 19.999 2.049 -11.171 1.00 44.52 H new ATOM 0 HB3 ALA A 71 21.190 3.289 -11.633 1.00 44.52 H new ATOM 1095 N GLU A 72 22.255 5.106 -9.330 1.00 43.03 N ATOM 1096 CA GLU A 72 23.473 5.813 -8.953 1.00 44.31 C ATOM 1097 C GLU A 72 23.152 7.212 -8.433 1.00 71.52 C ATOM 1098 O GLU A 72 22.456 7.986 -9.091 1.00 43.33 O ATOM 1099 CB GLU A 72 24.425 5.908 -10.147 1.00 64.33 C ATOM 1100 CG GLU A 72 25.884 5.687 -9.782 1.00 53.50 C ATOM 1101 CD GLU A 72 26.717 6.947 -9.921 1.00 15.13 C ATOM 1102 OE1 GLU A 72 27.138 7.257 -11.055 1.00 14.21 O ATOM 1103 OE2 GLU A 72 26.947 7.622 -8.896 1.00 44.20 O ATOM 0 H GLU A 72 21.555 5.687 -9.792 1.00 43.03 H new ATOM 0 HA GLU A 72 23.957 5.249 -8.155 1.00 44.31 H new ATOM 0 HB2 GLU A 72 24.131 5.172 -10.895 1.00 64.33 H new ATOM 0 HB3 GLU A 72 24.319 6.890 -10.608 1.00 64.33 H new ATOM 0 HG2 GLU A 72 25.947 5.325 -8.756 1.00 53.50 H new ATOM 0 HG3 GLU A 72 26.301 4.908 -10.421 1.00 53.50 H new ATOM 1110 N LEU A 73 23.662 7.527 -7.248 1.00 43.31 N ATOM 1111 CA LEU A 73 23.430 8.832 -6.638 1.00 71.10 C ATOM 1112 C LEU A 73 23.768 9.956 -7.612 1.00 15.32 C ATOM 1113 O LEU A 73 24.615 9.797 -8.490 1.00 74.45 O ATOM 1114 CB LEU A 73 24.265 8.977 -5.364 1.00 55.13 C ATOM 1115 CG LEU A 73 23.770 8.198 -4.145 1.00 71.12 C ATOM 1116 CD1 LEU A 73 24.614 8.526 -2.924 1.00 22.34 C ATOM 1117 CD2 LEU A 73 22.303 8.500 -3.878 1.00 55.15 C ATOM 0 H LEU A 73 24.239 6.897 -6.690 1.00 43.31 H new ATOM 0 HA LEU A 73 22.373 8.904 -6.382 1.00 71.10 H new ATOM 0 HB2 LEU A 73 25.284 8.660 -5.584 1.00 55.13 H new ATOM 0 HB3 LEU A 73 24.310 10.034 -5.101 1.00 55.13 H new ATOM 0 HG LEU A 73 23.868 7.133 -4.354 1.00 71.12 H new ATOM 0 HD11 LEU A 73 24.247 7.963 -2.066 1.00 22.34 H new ATOM 0 HD12 LEU A 73 25.653 8.258 -3.117 1.00 22.34 H new ATOM 0 HD13 LEU A 73 24.548 9.593 -2.712 1.00 22.34 H new ATOM 0 HD21 LEU A 73 21.968 7.937 -3.007 1.00 55.15 H new ATOM 0 HD22 LEU A 73 22.179 9.567 -3.690 1.00 55.15 H new ATOM 0 HD23 LEU A 73 21.709 8.213 -4.746 1.00 55.15 H new ATOM 1129 N SER A 74 23.101 11.094 -7.448 1.00 15.31 N ATOM 1130 CA SER A 74 23.329 12.245 -8.313 1.00 54.55 C ATOM 1131 C SER A 74 24.773 12.725 -8.210 1.00 43.02 C ATOM 1132 O SER A 74 25.551 12.595 -9.156 1.00 21.35 O ATOM 1133 CB SER A 74 22.374 13.383 -7.946 1.00 41.33 C ATOM 1134 OG SER A 74 22.082 13.376 -6.560 1.00 11.53 O ATOM 0 H SER A 74 22.398 11.243 -6.724 1.00 15.31 H new ATOM 0 HA SER A 74 23.139 11.938 -9.342 1.00 54.55 H new ATOM 0 HB2 SER A 74 22.819 14.339 -8.222 1.00 41.33 H new ATOM 0 HB3 SER A 74 21.450 13.285 -8.516 1.00 41.33 H new ATOM 0 HG SER A 74 22.063 14.297 -6.225 1.00 11.53 H new ATOM 1140 N ARG A 75 25.125 13.280 -7.055 1.00 54.41 N ATOM 1141 CA ARG A 75 26.475 13.781 -6.827 1.00 52.04 C ATOM 1142 C ARG A 75 27.373 12.684 -6.264 1.00 4.24 C ATOM 1143 O ARG A 75 27.134 12.172 -5.170 1.00 15.52 O ATOM 1144 CB ARG A 75 26.445 14.973 -5.869 1.00 52.23 C ATOM 1145 CG ARG A 75 27.536 15.997 -6.137 1.00 30.05 C ATOM 1146 CD ARG A 75 27.097 17.022 -7.170 1.00 13.51 C ATOM 1147 NE ARG A 75 28.182 17.927 -7.539 1.00 1.43 N ATOM 1148 CZ ARG A 75 28.197 18.637 -8.661 1.00 45.43 C ATOM 1149 NH1 ARG A 75 27.191 18.548 -9.520 1.00 2.10 N ATOM 1150 NH2 ARG A 75 29.221 19.439 -8.927 1.00 11.34 N ATOM 0 H ARG A 75 24.494 13.394 -6.262 1.00 54.41 H new ATOM 0 HA ARG A 75 26.882 14.105 -7.785 1.00 52.04 H new ATOM 0 HB2 ARG A 75 25.474 15.462 -5.941 1.00 52.23 H new ATOM 0 HB3 ARG A 75 26.543 14.609 -4.846 1.00 52.23 H new ATOM 0 HG2 ARG A 75 27.797 16.504 -5.208 1.00 30.05 H new ATOM 0 HG3 ARG A 75 28.435 15.489 -6.486 1.00 30.05 H new ATOM 0 HD2 ARG A 75 26.736 16.507 -8.060 1.00 13.51 H new ATOM 0 HD3 ARG A 75 26.262 17.600 -6.775 1.00 13.51 H new ATOM 0 HE ARG A 75 28.972 18.019 -6.900 1.00 1.43 H new ATOM 0 HH11 ARG A 75 26.402 17.933 -9.320 1.00 2.10 H new ATOM 0 HH12 ARG A 75 27.206 19.095 -10.381 1.00 2.10 H new ATOM 0 HH21 ARG A 75 29.997 19.510 -8.269 1.00 11.34 H new ATOM 0 HH22 ARG A 75 29.231 19.984 -9.789 1.00 11.34 H new ATOM 1164 N ASP A 76 28.407 12.328 -7.018 1.00 5.24 N ATOM 1165 CA ASP A 76 29.343 11.293 -6.593 1.00 75.44 C ATOM 1166 C ASP A 76 29.895 11.596 -5.204 1.00 63.42 C ATOM 1167 O ASP A 76 30.623 12.569 -5.014 1.00 65.30 O ATOM 1168 CB ASP A 76 30.490 11.170 -7.597 1.00 22.41 C ATOM 1169 CG ASP A 76 30.131 10.297 -8.783 1.00 72.13 C ATOM 1170 OD1 ASP A 76 29.991 9.070 -8.596 1.00 52.43 O ATOM 1171 OD2 ASP A 76 29.990 10.840 -9.899 1.00 43.41 O ATOM 0 H ASP A 76 28.619 12.741 -7.927 1.00 5.24 H new ATOM 0 HA ASP A 76 28.805 10.346 -6.551 1.00 75.44 H new ATOM 0 HB2 ASP A 76 30.767 12.163 -7.951 1.00 22.41 H new ATOM 0 HB3 ASP A 76 31.365 10.755 -7.096 1.00 22.41 H new ATOM 1176 N ASN A 77 29.543 10.756 -4.236 1.00 72.54 N ATOM 1177 CA ASN A 77 30.002 10.935 -2.864 1.00 24.41 C ATOM 1178 C ASN A 77 29.746 12.360 -2.386 1.00 14.51 C ATOM 1179 O ASN A 77 30.677 13.148 -2.222 1.00 3.42 O ATOM 1180 CB ASN A 77 31.494 10.610 -2.757 1.00 33.40 C ATOM 1181 CG ASN A 77 31.768 9.120 -2.836 1.00 11.24 C ATOM 1182 OD1 ASN A 77 30.956 8.355 -3.355 1.00 73.23 O ATOM 1183 ND2 ASN A 77 32.917 8.702 -2.318 1.00 43.31 N ATOM 0 H ASN A 77 28.941 9.945 -4.377 1.00 72.54 H new ATOM 0 HA ASN A 77 29.441 10.251 -2.228 1.00 24.41 H new ATOM 0 HB2 ASN A 77 32.032 11.119 -3.557 1.00 33.40 H new ATOM 0 HB3 ASN A 77 31.881 10.999 -1.815 1.00 33.40 H new ATOM 0 HD21 ASN A 77 33.156 7.711 -2.341 1.00 43.31 H new ATOM 0 HD22 ASN A 77 33.561 9.372 -1.897 1.00 43.31 H new ATOM 1190 N ASP A 78 28.477 12.684 -2.164 1.00 14.51 N ATOM 1191 CA ASP A 78 28.097 14.015 -1.703 1.00 34.21 C ATOM 1192 C ASP A 78 26.586 14.115 -1.518 1.00 74.22 C ATOM 1193 O ASP A 78 25.880 14.648 -2.374 1.00 32.03 O ATOM 1194 CB ASP A 78 28.573 15.077 -2.695 1.00 1.02 C ATOM 1195 CG ASP A 78 29.812 15.806 -2.212 1.00 70.52 C ATOM 1196 OD1 ASP A 78 29.793 16.317 -1.073 1.00 63.42 O ATOM 1197 OD2 ASP A 78 30.800 15.865 -2.974 1.00 40.30 O ATOM 0 H ASP A 78 27.694 12.044 -2.296 1.00 14.51 H new ATOM 0 HA ASP A 78 28.575 14.189 -0.739 1.00 34.21 H new ATOM 0 HB2 ASP A 78 28.783 14.605 -3.655 1.00 1.02 H new ATOM 0 HB3 ASP A 78 27.773 15.798 -2.863 1.00 1.02 H new ATOM 1202 N ALA A 79 26.096 13.597 -0.396 1.00 42.41 N ATOM 1203 CA ALA A 79 24.670 13.629 -0.099 1.00 14.42 C ATOM 1204 C ALA A 79 24.419 14.042 1.348 1.00 43.34 C ATOM 1205 O ALA A 79 24.134 13.203 2.202 1.00 5.32 O ATOM 1206 CB ALA A 79 24.042 12.272 -0.378 1.00 73.14 C ATOM 0 H ALA A 79 26.666 13.150 0.322 1.00 42.41 H new ATOM 0 HA ALA A 79 24.206 14.372 -0.747 1.00 14.42 H new ATOM 0 HB1 ALA A 79 22.976 12.311 -0.152 1.00 73.14 H new ATOM 0 HB2 ALA A 79 24.181 12.016 -1.428 1.00 73.14 H new ATOM 0 HB3 ALA A 79 24.518 11.516 0.246 1.00 73.14 H new ATOM 1212 N SER A 80 24.528 15.340 1.615 1.00 23.32 N ATOM 1213 CA SER A 80 24.318 15.863 2.960 1.00 42.21 C ATOM 1214 C SER A 80 22.856 15.725 3.374 1.00 3.51 C ATOM 1215 O SER A 80 22.536 15.035 4.342 1.00 42.13 O ATOM 1216 CB SER A 80 24.744 17.331 3.031 1.00 61.10 C ATOM 1217 OG SER A 80 24.760 17.793 4.370 1.00 12.05 O ATOM 0 H SER A 80 24.760 16.048 0.918 1.00 23.32 H new ATOM 0 HA SER A 80 24.929 15.281 3.650 1.00 42.21 H new ATOM 0 HB2 SER A 80 25.734 17.447 2.591 1.00 61.10 H new ATOM 0 HB3 SER A 80 24.060 17.940 2.441 1.00 61.10 H new ATOM 0 HG SER A 80 25.164 18.685 4.403 1.00 12.05 H new ATOM 1223 N SER A 81 21.973 16.388 2.634 1.00 41.00 N ATOM 1224 CA SER A 81 20.545 16.344 2.926 1.00 60.45 C ATOM 1225 C SER A 81 19.764 15.798 1.734 1.00 21.30 C ATOM 1226 O SER A 81 20.154 15.988 0.582 1.00 73.22 O ATOM 1227 CB SER A 81 20.034 17.739 3.289 1.00 74.01 C ATOM 1228 OG SER A 81 18.617 17.768 3.330 1.00 44.41 O ATOM 0 H SER A 81 22.221 16.962 1.828 1.00 41.00 H new ATOM 0 HA SER A 81 20.393 15.677 3.775 1.00 60.45 H new ATOM 0 HB2 SER A 81 20.435 18.036 4.258 1.00 74.01 H new ATOM 0 HB3 SER A 81 20.395 18.463 2.559 1.00 74.01 H new ATOM 0 HG SER A 81 18.286 16.962 3.778 1.00 44.41 H new ATOM 1234 N VAL A 82 18.658 15.118 2.021 1.00 64.44 N ATOM 1235 CA VAL A 82 17.821 14.544 0.974 1.00 12.11 C ATOM 1236 C VAL A 82 16.343 14.642 1.337 1.00 4.23 C ATOM 1237 O VAL A 82 15.973 14.537 2.507 1.00 71.24 O ATOM 1238 CB VAL A 82 18.178 13.068 0.715 1.00 14.32 C ATOM 1239 CG1 VAL A 82 17.891 12.695 -0.731 1.00 53.33 C ATOM 1240 CG2 VAL A 82 19.635 12.804 1.064 1.00 74.13 C ATOM 0 H VAL A 82 18.321 14.951 2.969 1.00 64.44 H new ATOM 0 HA VAL A 82 18.009 15.119 0.068 1.00 12.11 H new ATOM 0 HB VAL A 82 17.556 12.443 1.356 1.00 14.32 H new ATOM 0 HG11 VAL A 82 18.149 11.649 -0.895 1.00 53.33 H new ATOM 0 HG12 VAL A 82 16.832 12.845 -0.942 1.00 53.33 H new ATOM 0 HG13 VAL A 82 18.485 13.324 -1.394 1.00 53.33 H new ATOM 0 HG21 VAL A 82 19.870 11.757 0.875 1.00 74.13 H new ATOM 0 HG22 VAL A 82 20.276 13.436 0.450 1.00 74.13 H new ATOM 0 HG23 VAL A 82 19.804 13.030 2.117 1.00 74.13 H new ATOM 1250 N ARG A 83 15.504 14.844 0.327 1.00 15.03 N ATOM 1251 CA ARG A 83 14.066 14.957 0.540 1.00 13.02 C ATOM 1252 C ARG A 83 13.327 13.788 -0.106 1.00 10.44 C ATOM 1253 O ARG A 83 13.719 13.303 -1.167 1.00 31.43 O ATOM 1254 CB ARG A 83 13.547 16.279 -0.028 1.00 52.04 C ATOM 1255 CG ARG A 83 12.030 16.373 -0.064 1.00 42.05 C ATOM 1256 CD ARG A 83 11.566 17.607 -0.822 1.00 3.41 C ATOM 1257 NE ARG A 83 10.183 17.955 -0.507 1.00 61.14 N ATOM 1258 CZ ARG A 83 9.822 18.614 0.588 1.00 73.21 C ATOM 1259 NH1 ARG A 83 10.737 18.995 1.469 1.00 73.15 N ATOM 1260 NH2 ARG A 83 8.543 18.893 0.804 1.00 53.32 N ATOM 0 H ARG A 83 15.795 14.933 -0.647 1.00 15.03 H new ATOM 0 HA ARG A 83 13.880 14.933 1.614 1.00 13.02 H new ATOM 0 HB2 ARG A 83 13.939 17.101 0.571 1.00 52.04 H new ATOM 0 HB3 ARG A 83 13.935 16.408 -1.039 1.00 52.04 H new ATOM 0 HG2 ARG A 83 11.620 15.480 -0.535 1.00 42.05 H new ATOM 0 HG3 ARG A 83 11.642 16.403 0.954 1.00 42.05 H new ATOM 0 HD2 ARG A 83 12.216 18.448 -0.578 1.00 3.41 H new ATOM 0 HD3 ARG A 83 11.660 17.431 -1.894 1.00 3.41 H new ATOM 0 HE ARG A 83 9.454 17.677 -1.164 1.00 61.14 H new ATOM 0 HH11 ARG A 83 11.721 18.782 1.307 1.00 73.15 H new ATOM 0 HH12 ARG A 83 10.457 19.501 2.309 1.00 73.15 H new ATOM 0 HH21 ARG A 83 7.836 18.601 0.129 1.00 53.32 H new ATOM 0 HH22 ARG A 83 8.266 19.399 1.645 1.00 53.32 H new ATOM 1274 N VAL A 84 12.256 13.341 0.543 1.00 51.25 N ATOM 1275 CA VAL A 84 11.462 12.230 0.032 1.00 51.33 C ATOM 1276 C VAL A 84 9.970 12.532 0.126 1.00 24.43 C ATOM 1277 O VAL A 84 9.499 13.079 1.123 1.00 21.43 O ATOM 1278 CB VAL A 84 11.761 10.928 0.798 1.00 72.23 C ATOM 1279 CG1 VAL A 84 13.255 10.642 0.803 1.00 51.30 C ATOM 1280 CG2 VAL A 84 11.220 11.009 2.217 1.00 21.02 C ATOM 0 H VAL A 84 11.919 13.731 1.423 1.00 51.25 H new ATOM 0 HA VAL A 84 11.738 12.098 -1.014 1.00 51.33 H new ATOM 0 HB VAL A 84 11.260 10.104 0.289 1.00 72.23 H new ATOM 0 HG11 VAL A 84 13.447 9.718 1.349 1.00 51.30 H new ATOM 0 HG12 VAL A 84 13.609 10.538 -0.223 1.00 51.30 H new ATOM 0 HG13 VAL A 84 13.781 11.465 1.286 1.00 51.30 H new ATOM 0 HG21 VAL A 84 11.440 10.081 2.744 1.00 21.02 H new ATOM 0 HG22 VAL A 84 11.690 11.843 2.739 1.00 21.02 H new ATOM 0 HG23 VAL A 84 10.141 11.162 2.187 1.00 21.02 H new ATOM 1290 N SER A 85 9.232 12.170 -0.918 1.00 51.52 N ATOM 1291 CA SER A 85 7.793 12.405 -0.955 1.00 1.12 C ATOM 1292 C SER A 85 7.124 11.516 -1.999 1.00 42.51 C ATOM 1293 O SER A 85 7.784 10.978 -2.888 1.00 60.02 O ATOM 1294 CB SER A 85 7.503 13.876 -1.259 1.00 15.13 C ATOM 1295 OG SER A 85 8.349 14.729 -0.508 1.00 31.15 O ATOM 0 H SER A 85 9.606 11.713 -1.749 1.00 51.52 H new ATOM 0 HA SER A 85 7.384 12.156 0.024 1.00 1.12 H new ATOM 0 HB2 SER A 85 7.643 14.065 -2.323 1.00 15.13 H new ATOM 0 HB3 SER A 85 6.461 14.099 -1.030 1.00 15.13 H new ATOM 0 HG SER A 85 8.144 15.663 -0.722 1.00 31.15 H new ATOM 1301 N LYS A 86 5.809 11.367 -1.885 1.00 11.43 N ATOM 1302 CA LYS A 86 5.047 10.546 -2.818 1.00 65.20 C ATOM 1303 C LYS A 86 4.305 11.415 -3.828 1.00 10.23 C ATOM 1304 O LYS A 86 3.562 12.321 -3.452 1.00 51.53 O ATOM 1305 CB LYS A 86 4.053 9.664 -2.059 1.00 51.23 C ATOM 1306 CG LYS A 86 4.715 8.665 -1.126 1.00 74.23 C ATOM 1307 CD LYS A 86 4.579 9.085 0.328 1.00 71.14 C ATOM 1308 CE LYS A 86 3.130 9.042 0.787 1.00 14.52 C ATOM 1309 NZ LYS A 86 3.011 9.205 2.263 1.00 73.43 N ATOM 0 H LYS A 86 5.248 11.805 -1.154 1.00 11.43 H new ATOM 0 HA LYS A 86 5.748 9.910 -3.359 1.00 65.20 H new ATOM 0 HB2 LYS A 86 3.384 10.301 -1.480 1.00 51.23 H new ATOM 0 HB3 LYS A 86 3.437 9.124 -2.778 1.00 51.23 H new ATOM 0 HG2 LYS A 86 4.265 7.682 -1.265 1.00 74.23 H new ATOM 0 HG3 LYS A 86 5.771 8.571 -1.381 1.00 74.23 H new ATOM 0 HD2 LYS A 86 5.180 8.427 0.956 1.00 71.14 H new ATOM 0 HD3 LYS A 86 4.972 10.094 0.455 1.00 71.14 H new ATOM 0 HE2 LYS A 86 2.567 9.831 0.288 1.00 14.52 H new ATOM 0 HE3 LYS A 86 2.683 8.094 0.489 1.00 14.52 H new ATOM 0 HZ1 LYS A 86 2.008 9.170 2.536 1.00 73.43 H new ATOM 0 HZ2 LYS A 86 3.527 8.438 2.740 1.00 73.43 H new ATOM 0 HZ3 LYS A 86 3.415 10.121 2.545 1.00 73.43 H new ATOM 1323 N MET A 87 4.510 11.132 -5.110 1.00 23.12 N ATOM 1324 CA MET A 87 3.857 11.887 -6.173 1.00 5.00 C ATOM 1325 C MET A 87 2.422 11.413 -6.374 1.00 72.53 C ATOM 1326 O MET A 87 1.493 12.219 -6.417 1.00 21.53 O ATOM 1327 CB MET A 87 4.640 11.750 -7.480 1.00 64.41 C ATOM 1328 CG MET A 87 4.681 13.028 -8.301 1.00 43.04 C ATOM 1329 SD MET A 87 3.143 13.331 -9.192 1.00 62.33 S ATOM 1330 CE MET A 87 2.996 15.107 -9.021 1.00 5.53 C ATOM 0 H MET A 87 5.123 10.386 -5.438 1.00 23.12 H new ATOM 0 HA MET A 87 3.836 12.936 -5.879 1.00 5.00 H new ATOM 0 HB2 MET A 87 5.660 11.442 -7.252 1.00 64.41 H new ATOM 0 HB3 MET A 87 4.194 10.957 -8.080 1.00 64.41 H new ATOM 0 HG2 MET A 87 4.887 13.872 -7.642 1.00 43.04 H new ATOM 0 HG3 MET A 87 5.504 12.971 -9.013 1.00 43.04 H new ATOM 0 HE1 MET A 87 2.090 15.447 -9.522 1.00 5.53 H new ATOM 0 HE2 MET A 87 2.946 15.368 -7.964 1.00 5.53 H new ATOM 0 HE3 MET A 87 3.863 15.589 -9.473 1.00 5.53 H new