USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 375 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 Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -1.35 X(o=-1.3,f=-0.89) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 86:sc= -0.48 USER MOD Single : A 15 THR OG1 : rot 81:sc= 0.102 USER MOD Single : A 17 SER OG : rot 180:sc=-0.00628 USER MOD Single : A 26 HIS : no HD1:sc= -4.12 K(o=-4.1,f=-5.6) USER MOD Single : A 27 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-6.4!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.28) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.4) USER MOD Single : A 47 THR OG1 : rot -85:sc= 1.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00765 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.16 K(o=0.16,f=-2.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N VAL A 4 -4.884 4.914 -2.808 1.00 51.24 N ATOM 37 CA VAL A 4 -4.898 6.211 -3.474 1.00 51.14 C ATOM 38 C VAL A 4 -5.517 7.281 -2.582 1.00 30.34 C ATOM 39 O VAL A 4 -6.581 7.078 -1.998 1.00 22.31 O ATOM 40 CB VAL A 4 -5.677 6.152 -4.802 1.00 12.12 C ATOM 41 CG1 VAL A 4 -5.031 5.160 -5.757 1.00 33.34 C ATOM 42 CG2 VAL A 4 -7.133 5.791 -4.549 1.00 31.22 C ATOM 0 HA VAL A 4 -3.860 6.471 -3.681 1.00 51.14 H new ATOM 0 HB VAL A 4 -5.646 7.138 -5.266 1.00 12.12 H new ATOM 0 HG11 VAL A 4 -5.595 5.132 -6.689 1.00 33.34 H new ATOM 0 HG12 VAL A 4 -4.006 5.468 -5.962 1.00 33.34 H new ATOM 0 HG13 VAL A 4 -5.029 4.168 -5.305 1.00 33.34 H new ATOM 0 HG21 VAL A 4 -7.669 5.754 -5.498 1.00 31.22 H new ATOM 0 HG22 VAL A 4 -7.187 4.817 -4.063 1.00 31.22 H new ATOM 0 HG23 VAL A 4 -7.588 6.544 -3.905 1.00 31.22 H new ATOM 52 N GLY A 5 -4.843 8.422 -2.480 1.00 41.34 N ATOM 53 CA GLY A 5 -5.342 9.508 -1.657 1.00 51.10 C ATOM 54 C GLY A 5 -6.526 10.216 -2.286 1.00 63.11 C ATOM 55 O GLY A 5 -7.524 9.584 -2.630 1.00 43.42 O ATOM 0 H GLY A 5 -3.960 8.614 -2.953 1.00 41.34 H new ATOM 0 HA2 GLY A 5 -5.633 9.117 -0.682 1.00 51.10 H new ATOM 0 HA3 GLY A 5 -4.541 10.228 -1.486 1.00 51.10 H new ATOM 59 N ASN A 6 -6.415 11.532 -2.435 1.00 52.01 N ATOM 60 CA ASN A 6 -7.486 12.327 -3.025 1.00 73.10 C ATOM 61 C ASN A 6 -7.190 12.638 -4.489 1.00 71.41 C ATOM 62 O ASN A 6 -8.051 12.481 -5.354 1.00 12.44 O ATOM 63 CB ASN A 6 -7.673 13.629 -2.243 1.00 71.04 C ATOM 64 CG ASN A 6 -7.710 13.403 -0.744 1.00 54.13 C ATOM 65 OD1 ASN A 6 -8.586 12.705 -0.232 1.00 43.31 O ATOM 66 ND2 ASN A 6 -6.758 13.995 -0.033 1.00 64.32 N ATOM 0 H ASN A 6 -5.595 12.070 -2.156 1.00 52.01 H new ATOM 0 HA ASN A 6 -8.406 11.745 -2.975 1.00 73.10 H new ATOM 0 HB2 ASN A 6 -6.861 14.314 -2.484 1.00 71.04 H new ATOM 0 HB3 ASN A 6 -8.599 14.109 -2.558 1.00 71.04 H new ATOM 0 HD21 ASN A 6 -6.732 13.880 0.980 1.00 64.32 H new ATOM 0 HD22 ASN A 6 -6.052 14.564 -0.500 1.00 64.32 H new ATOM 73 N ASN A 7 -5.965 13.078 -4.759 1.00 34.21 N ATOM 74 CA ASN A 7 -5.555 13.410 -6.118 1.00 51.53 C ATOM 75 C ASN A 7 -5.867 12.265 -7.076 1.00 63.33 C ATOM 76 O ASN A 7 -5.329 11.165 -6.943 1.00 13.03 O ATOM 77 CB ASN A 7 -4.059 13.731 -6.158 1.00 35.32 C ATOM 78 CG ASN A 7 -3.744 15.093 -5.571 1.00 12.10 C ATOM 79 OD1 ASN A 7 -3.335 15.204 -4.415 1.00 70.12 O ATOM 80 ND2 ASN A 7 -3.934 16.139 -6.368 1.00 32.55 N ATOM 0 H ASN A 7 -5.240 13.213 -4.055 1.00 34.21 H new ATOM 0 HA ASN A 7 -6.117 14.288 -6.436 1.00 51.53 H new ATOM 0 HB2 ASN A 7 -3.511 12.966 -5.608 1.00 35.32 H new ATOM 0 HB3 ASN A 7 -3.710 13.693 -7.190 1.00 35.32 H new ATOM 0 HD21 ASN A 7 -3.739 17.081 -6.028 1.00 32.55 H new ATOM 0 HD22 ASN A 7 -4.274 16.000 -7.319 1.00 32.55 H new ATOM 87 N LYS A 8 -6.738 12.530 -8.044 1.00 12.14 N ATOM 88 CA LYS A 8 -7.121 11.523 -9.026 1.00 52.43 C ATOM 89 C LYS A 8 -6.063 11.398 -10.117 1.00 64.34 C ATOM 90 O LYS A 8 -5.870 10.324 -10.689 1.00 52.22 O ATOM 91 CB LYS A 8 -8.473 11.879 -9.651 1.00 25.45 C ATOM 92 CG LYS A 8 -9.530 12.268 -8.632 1.00 24.13 C ATOM 93 CD LYS A 8 -10.849 11.564 -8.900 1.00 71.05 C ATOM 94 CE LYS A 8 -11.710 12.348 -9.879 1.00 12.33 C ATOM 95 NZ LYS A 8 -13.149 12.324 -9.495 1.00 23.34 N ATOM 0 H LYS A 8 -7.192 13.435 -8.169 1.00 12.14 H new ATOM 0 HA LYS A 8 -7.205 10.565 -8.513 1.00 52.43 H new ATOM 0 HB2 LYS A 8 -8.335 12.703 -10.351 1.00 25.45 H new ATOM 0 HB3 LYS A 8 -8.833 11.027 -10.228 1.00 25.45 H new ATOM 0 HG2 LYS A 8 -9.180 12.018 -7.630 1.00 24.13 H new ATOM 0 HG3 LYS A 8 -9.681 13.347 -8.657 1.00 24.13 H new ATOM 0 HD2 LYS A 8 -10.657 10.568 -9.299 1.00 71.05 H new ATOM 0 HD3 LYS A 8 -11.390 11.433 -7.963 1.00 71.05 H new ATOM 0 HE2 LYS A 8 -11.363 13.380 -9.922 1.00 12.33 H new ATOM 0 HE3 LYS A 8 -11.594 11.931 -10.879 1.00 12.33 H new ATOM 0 HZ1 LYS A 8 -13.702 12.869 -10.187 1.00 23.34 H new ATOM 0 HZ2 LYS A 8 -13.488 11.341 -9.479 1.00 23.34 H new ATOM 0 HZ3 LYS A 8 -13.263 12.745 -8.551 1.00 23.34 H new ATOM 109 N CYS A 9 -5.378 12.500 -10.401 1.00 5.55 N ATOM 110 CA CYS A 9 -4.337 12.514 -11.422 1.00 14.00 C ATOM 111 C CYS A 9 -4.894 12.068 -12.771 1.00 30.30 C ATOM 112 O CYS A 9 -4.755 10.907 -13.158 1.00 1.50 O ATOM 113 CB CYS A 9 -3.177 11.605 -11.011 1.00 15.24 C ATOM 114 SG CYS A 9 -1.607 11.976 -11.856 1.00 22.42 S ATOM 0 H CYS A 9 -5.525 13.397 -9.938 1.00 5.55 H new ATOM 0 HA CYS A 9 -3.971 13.536 -11.519 1.00 14.00 H new ATOM 0 HB2 CYS A 9 -3.027 11.690 -9.935 1.00 15.24 H new ATOM 0 HB3 CYS A 9 -3.451 10.570 -11.214 1.00 15.24 H new ATOM 119 N TRP A 10 -5.524 12.997 -13.481 1.00 64.31 N ATOM 120 CA TRP A 10 -6.101 12.699 -14.787 1.00 51.30 C ATOM 121 C TRP A 10 -5.009 12.446 -15.820 1.00 61.13 C ATOM 122 O TRP A 10 -3.823 12.430 -15.492 1.00 30.41 O ATOM 123 CB TRP A 10 -6.997 13.851 -15.246 1.00 2.23 C ATOM 124 CG TRP A 10 -8.454 13.499 -15.266 1.00 25.00 C ATOM 125 CD1 TRP A 10 -9.152 12.844 -14.292 1.00 51.40 C ATOM 126 CD2 TRP A 10 -9.389 13.781 -16.313 1.00 22.13 C ATOM 127 NE1 TRP A 10 -10.465 12.702 -14.670 1.00 55.43 N ATOM 128 CE2 TRP A 10 -10.636 13.269 -15.905 1.00 55.35 C ATOM 129 CE3 TRP A 10 -9.294 14.417 -17.553 1.00 54.41 C ATOM 130 CZ2 TRP A 10 -11.778 13.375 -16.696 1.00 63.40 C ATOM 131 CZ3 TRP A 10 -10.428 14.521 -18.337 1.00 21.23 C ATOM 132 CH2 TRP A 10 -11.656 14.003 -17.906 1.00 34.52 C ATOM 0 H TRP A 10 -5.648 13.962 -13.175 1.00 64.31 H new ATOM 0 HA TRP A 10 -6.702 11.795 -14.693 1.00 51.30 H new ATOM 0 HB2 TRP A 10 -6.846 14.705 -14.585 1.00 2.23 H new ATOM 0 HB3 TRP A 10 -6.692 14.163 -16.245 1.00 2.23 H new ATOM 0 HD1 TRP A 10 -8.733 12.490 -13.362 1.00 51.40 H new ATOM 0 HE1 TRP A 10 -11.194 12.248 -14.120 1.00 55.43 H new ATOM 0 HE3 TRP A 10 -8.352 14.820 -17.893 1.00 54.41 H new ATOM 0 HZ2 TRP A 10 -12.726 12.976 -16.366 1.00 63.40 H new ATOM 0 HZ3 TRP A 10 -10.366 15.010 -19.298 1.00 21.23 H new ATOM 0 HH2 TRP A 10 -12.524 14.101 -18.541 1.00 34.52 H new ATOM 143 N ALA A 11 -5.416 12.249 -17.070 1.00 35.12 N ATOM 144 CA ALA A 11 -4.472 11.999 -18.151 1.00 65.30 C ATOM 145 C ALA A 11 -3.729 13.273 -18.537 1.00 40.42 C ATOM 146 O ALA A 11 -4.345 14.306 -18.800 1.00 54.43 O ATOM 147 CB ALA A 11 -5.193 11.419 -19.359 1.00 10.41 C ATOM 0 H ALA A 11 -6.394 12.258 -17.358 1.00 35.12 H new ATOM 0 HA ALA A 11 -3.738 11.275 -17.798 1.00 65.30 H new ATOM 0 HB1 ALA A 11 -4.475 11.237 -20.159 1.00 10.41 H new ATOM 0 HB2 ALA A 11 -5.672 10.480 -19.081 1.00 10.41 H new ATOM 0 HB3 ALA A 11 -5.950 12.124 -19.704 1.00 10.41 H new ATOM 153 N ILE A 12 -2.403 13.194 -18.568 1.00 70.33 N ATOM 154 CA ILE A 12 -1.577 14.341 -18.923 1.00 14.43 C ATOM 155 C ILE A 12 -1.920 14.855 -20.317 1.00 43.31 C ATOM 156 O ILE A 12 -1.885 14.106 -21.292 1.00 62.11 O ATOM 157 CB ILE A 12 -0.078 13.994 -18.870 1.00 1.13 C ATOM 158 CG1 ILE A 12 0.306 13.505 -17.471 1.00 54.54 C ATOM 159 CG2 ILE A 12 0.760 15.202 -19.263 1.00 32.31 C ATOM 160 CD1 ILE A 12 0.172 14.567 -16.402 1.00 53.34 C ATOM 0 H ILE A 12 -1.878 12.347 -18.351 1.00 70.33 H new ATOM 0 HA ILE A 12 -1.787 15.120 -18.190 1.00 14.43 H new ATOM 0 HB ILE A 12 0.119 13.192 -19.582 1.00 1.13 H new ATOM 0 HG12 ILE A 12 -0.322 12.654 -17.207 1.00 54.54 H new ATOM 0 HG13 ILE A 12 1.336 13.148 -17.490 1.00 54.54 H new ATOM 0 HG21 ILE A 12 1.817 14.941 -19.221 1.00 32.31 H new ATOM 0 HG22 ILE A 12 0.503 15.509 -20.277 1.00 32.31 H new ATOM 0 HG23 ILE A 12 0.561 16.023 -18.574 1.00 32.31 H new ATOM 0 HD11 ILE A 12 0.460 14.150 -15.437 1.00 53.34 H new ATOM 0 HD12 ILE A 12 0.821 15.409 -16.642 1.00 53.34 H new ATOM 0 HD13 ILE A 12 -0.862 14.908 -16.355 1.00 53.34 H new ATOM 172 N GLY A 13 -2.249 16.141 -20.404 1.00 72.40 N ATOM 173 CA GLY A 13 -2.591 16.734 -21.683 1.00 74.35 C ATOM 174 C GLY A 13 -4.082 16.965 -21.835 1.00 43.31 C ATOM 175 O GLY A 13 -4.516 17.714 -22.711 1.00 40.21 O ATOM 0 H GLY A 13 -2.285 16.782 -19.611 1.00 72.40 H new ATOM 0 HA2 GLY A 13 -2.066 17.683 -21.792 1.00 74.35 H new ATOM 0 HA3 GLY A 13 -2.243 16.084 -22.486 1.00 74.35 H new ATOM 179 N THR A 14 -4.869 16.320 -20.981 1.00 35.15 N ATOM 180 CA THR A 14 -6.320 16.457 -21.025 1.00 23.20 C ATOM 181 C THR A 14 -6.792 17.595 -20.128 1.00 33.35 C ATOM 182 O THR A 14 -6.000 18.202 -19.406 1.00 64.45 O ATOM 183 CB THR A 14 -7.020 15.154 -20.595 1.00 14.11 C ATOM 184 OG1 THR A 14 -6.106 14.056 -20.677 1.00 65.40 O ATOM 185 CG2 THR A 14 -8.233 14.877 -21.471 1.00 0.32 C ATOM 0 H THR A 14 -4.526 15.697 -20.250 1.00 35.15 H new ATOM 0 HA THR A 14 -6.586 16.679 -22.058 1.00 23.20 H new ATOM 0 HB THR A 14 -7.355 15.271 -19.564 1.00 14.11 H new ATOM 0 HG1 THR A 14 -5.597 13.991 -19.842 1.00 65.40 H new ATOM 0 HG21 THR A 14 -8.711 13.952 -21.149 1.00 0.32 H new ATOM 0 HG22 THR A 14 -8.941 15.701 -21.383 1.00 0.32 H new ATOM 0 HG23 THR A 14 -7.917 14.779 -22.510 1.00 0.32 H new ATOM 193 N THR A 15 -8.090 17.880 -20.175 1.00 40.12 N ATOM 194 CA THR A 15 -8.668 18.946 -19.367 1.00 33.13 C ATOM 195 C THR A 15 -8.908 18.482 -17.935 1.00 24.44 C ATOM 196 O THR A 15 -9.207 17.312 -17.692 1.00 52.01 O ATOM 197 CB THR A 15 -9.999 19.444 -19.962 1.00 60.40 C ATOM 198 OG1 THR A 15 -10.249 18.795 -21.214 1.00 24.00 O ATOM 199 CG2 THR A 15 -9.972 20.951 -20.163 1.00 4.32 C ATOM 0 H THR A 15 -8.761 17.387 -20.765 1.00 40.12 H new ATOM 0 HA THR A 15 -7.950 19.766 -19.366 1.00 33.13 H new ATOM 0 HB THR A 15 -10.798 19.201 -19.261 1.00 60.40 H new ATOM 0 HG1 THR A 15 -10.625 17.905 -21.052 1.00 24.00 H new ATOM 0 HG21 THR A 15 -10.922 21.279 -20.584 1.00 4.32 H new ATOM 0 HG22 THR A 15 -9.811 21.443 -19.204 1.00 4.32 H new ATOM 0 HG23 THR A 15 -9.163 21.213 -20.845 1.00 4.32 H new ATOM 207 N CYS A 16 -8.774 19.405 -16.988 1.00 73.32 N ATOM 208 CA CYS A 16 -8.976 19.091 -15.579 1.00 32.50 C ATOM 209 C CYS A 16 -10.433 19.304 -15.177 1.00 42.42 C ATOM 210 O CYS A 16 -11.234 19.817 -15.958 1.00 51.05 O ATOM 211 CB CYS A 16 -8.063 19.954 -14.706 1.00 60.05 C ATOM 212 SG CYS A 16 -8.319 21.746 -14.909 1.00 3.33 S ATOM 0 H CYS A 16 -8.526 20.377 -17.172 1.00 73.32 H new ATOM 0 HA CYS A 16 -8.726 18.041 -15.427 1.00 32.50 H new ATOM 0 HB2 CYS A 16 -8.223 19.691 -13.660 1.00 60.05 H new ATOM 0 HB3 CYS A 16 -7.025 19.717 -14.939 1.00 60.05 H new ATOM 217 N SER A 17 -10.768 18.908 -13.954 1.00 4.15 N ATOM 218 CA SER A 17 -12.128 19.053 -13.449 1.00 20.24 C ATOM 219 C SER A 17 -12.122 19.413 -11.966 1.00 23.50 C ATOM 220 O SER A 17 -13.075 19.124 -11.242 1.00 3.01 O ATOM 221 CB SER A 17 -12.916 17.760 -13.668 1.00 53.11 C ATOM 222 OG SER A 17 -12.739 17.272 -14.987 1.00 11.42 O ATOM 0 H SER A 17 -10.116 18.484 -13.294 1.00 4.15 H new ATOM 0 HA SER A 17 -12.609 19.862 -13.999 1.00 20.24 H new ATOM 0 HB2 SER A 17 -12.590 17.006 -12.951 1.00 53.11 H new ATOM 0 HB3 SER A 17 -13.975 17.940 -13.482 1.00 53.11 H new ATOM 0 HG SER A 17 -13.251 16.444 -15.101 1.00 11.42 H new ATOM 228 N ASP A 18 -11.041 20.044 -11.522 1.00 2.14 N ATOM 229 CA ASP A 18 -10.909 20.445 -10.126 1.00 32.13 C ATOM 230 C ASP A 18 -11.176 19.267 -9.194 1.00 60.54 C ATOM 231 O ASP A 18 -11.211 18.115 -9.629 1.00 24.05 O ATOM 232 CB ASP A 18 -11.873 21.590 -9.809 1.00 25.23 C ATOM 233 CG ASP A 18 -11.213 22.697 -9.009 1.00 74.52 C ATOM 234 OD1 ASP A 18 -10.241 23.295 -9.515 1.00 72.00 O ATOM 235 OD2 ASP A 18 -11.669 22.964 -7.877 1.00 71.34 O ATOM 0 H ASP A 18 -10.243 20.289 -12.108 1.00 2.14 H new ATOM 0 HA ASP A 18 -9.886 20.786 -9.967 1.00 32.13 H new ATOM 0 HB2 ASP A 18 -12.263 22.001 -10.740 1.00 25.23 H new ATOM 0 HB3 ASP A 18 -12.725 21.200 -9.251 1.00 25.23 H new ATOM 240 N ASP A 19 -11.363 19.562 -7.913 1.00 3.41 N ATOM 241 CA ASP A 19 -11.626 18.528 -6.920 1.00 33.42 C ATOM 242 C ASP A 19 -10.481 17.521 -6.866 1.00 40.34 C ATOM 243 O ASP A 19 -10.704 16.317 -6.741 1.00 20.24 O ATOM 244 CB ASP A 19 -12.939 17.809 -7.237 1.00 23.11 C ATOM 245 CG ASP A 19 -14.152 18.584 -6.763 1.00 33.24 C ATOM 246 OD1 ASP A 19 -14.520 19.575 -7.427 1.00 4.21 O ATOM 247 OD2 ASP A 19 -14.734 18.199 -5.726 1.00 54.45 O ATOM 0 H ASP A 19 -11.337 20.510 -7.537 1.00 3.41 H new ATOM 0 HA ASP A 19 -11.709 19.008 -5.945 1.00 33.42 H new ATOM 0 HB2 ASP A 19 -13.012 17.649 -8.313 1.00 23.11 H new ATOM 0 HB3 ASP A 19 -12.934 16.825 -6.768 1.00 23.11 H new ATOM 252 N CYS A 20 -9.254 18.023 -6.964 1.00 14.02 N ATOM 253 CA CYS A 20 -8.073 17.169 -6.928 1.00 53.13 C ATOM 254 C CYS A 20 -8.043 16.232 -8.132 1.00 51.25 C ATOM 255 O CYS A 20 -7.362 15.207 -8.117 1.00 63.14 O ATOM 256 CB CYS A 20 -8.046 16.354 -5.634 1.00 11.34 C ATOM 257 SG CYS A 20 -6.581 16.658 -4.594 1.00 50.35 S ATOM 0 H CYS A 20 -9.052 19.017 -7.069 1.00 14.02 H new ATOM 0 HA CYS A 20 -7.191 17.809 -6.965 1.00 53.13 H new ATOM 0 HB2 CYS A 20 -8.942 16.580 -5.056 1.00 11.34 H new ATOM 0 HB3 CYS A 20 -8.087 15.294 -5.884 1.00 11.34 H new ATOM 262 N ASP A 21 -8.786 16.592 -9.174 1.00 4.15 N ATOM 263 CA ASP A 21 -8.843 15.785 -10.387 1.00 13.21 C ATOM 264 C ASP A 21 -7.455 15.622 -10.998 1.00 0.52 C ATOM 265 O ASP A 21 -7.021 14.508 -11.292 1.00 52.23 O ATOM 266 CB ASP A 21 -9.790 16.423 -11.405 1.00 34.05 C ATOM 267 CG ASP A 21 -9.719 15.751 -12.762 1.00 12.42 C ATOM 268 OD1 ASP A 21 -8.716 15.961 -13.476 1.00 21.42 O ATOM 269 OD2 ASP A 21 -10.666 15.016 -13.110 1.00 33.02 O ATOM 0 H ASP A 21 -9.357 17.437 -9.202 1.00 4.15 H new ATOM 0 HA ASP A 21 -9.220 14.798 -10.119 1.00 13.21 H new ATOM 0 HB2 ASP A 21 -10.812 16.370 -11.029 1.00 34.05 H new ATOM 0 HB3 ASP A 21 -9.545 17.480 -11.513 1.00 34.05 H new ATOM 274 N CYS A 22 -6.763 16.741 -11.187 1.00 24.31 N ATOM 275 CA CYS A 22 -5.424 16.724 -11.764 1.00 70.42 C ATOM 276 C CYS A 22 -4.393 16.273 -10.733 1.00 42.35 C ATOM 277 O CYS A 22 -4.661 16.267 -9.532 1.00 14.33 O ATOM 278 CB CYS A 22 -5.058 18.111 -12.296 1.00 65.51 C ATOM 279 SG CYS A 22 -3.847 18.089 -13.658 1.00 33.25 S ATOM 0 H CYS A 22 -7.108 17.671 -10.949 1.00 24.31 H new ATOM 0 HA CYS A 22 -5.420 16.013 -12.590 1.00 70.42 H new ATOM 0 HB2 CYS A 22 -5.965 18.608 -12.639 1.00 65.51 H new ATOM 0 HB3 CYS A 22 -4.657 18.708 -11.477 1.00 65.51 H new ATOM 284 N CYS A 23 -3.212 15.897 -11.212 1.00 23.20 N ATOM 285 CA CYS A 23 -2.139 15.445 -10.334 1.00 73.40 C ATOM 286 C CYS A 23 -1.701 16.561 -9.391 1.00 11.32 C ATOM 287 O CYS A 23 -1.852 17.748 -9.681 1.00 52.22 O ATOM 288 CB CYS A 23 -0.945 14.962 -11.160 1.00 32.22 C ATOM 289 SG CYS A 23 -1.381 13.784 -12.480 1.00 14.34 S ATOM 0 H CYS A 23 -2.974 15.896 -12.204 1.00 23.20 H new ATOM 0 HA CYS A 23 -2.518 14.616 -9.736 1.00 73.40 H new ATOM 0 HB2 CYS A 23 -0.453 15.826 -11.607 1.00 32.22 H new ATOM 0 HB3 CYS A 23 -0.222 14.493 -10.493 1.00 32.22 H new ATOM 294 N PRO A 24 -1.145 16.174 -8.233 1.00 63.25 N ATOM 295 CA PRO A 24 -0.672 17.126 -7.224 1.00 54.32 C ATOM 296 C PRO A 24 0.569 17.886 -7.680 1.00 31.32 C ATOM 297 O PRO A 24 0.752 19.054 -7.340 1.00 13.10 O ATOM 298 CB PRO A 24 -0.344 16.236 -6.023 1.00 2.31 C ATOM 299 CG PRO A 24 -0.050 14.900 -6.611 1.00 64.50 C ATOM 300 CD PRO A 24 -0.933 14.776 -7.821 1.00 53.03 C ATOM 0 HA PRO A 24 -1.413 17.896 -7.011 1.00 54.32 H new ATOM 0 HB2 PRO A 24 0.511 16.621 -5.467 1.00 2.31 H new ATOM 0 HB3 PRO A 24 -1.181 16.187 -5.327 1.00 2.31 H new ATOM 0 HG2 PRO A 24 1.002 14.817 -6.885 1.00 64.50 H new ATOM 0 HG3 PRO A 24 -0.256 14.105 -5.895 1.00 64.50 H new ATOM 0 HD2 PRO A 24 -0.456 14.193 -8.609 1.00 53.03 H new ATOM 0 HD3 PRO A 24 -1.874 14.280 -7.583 1.00 53.03 H new ATOM 308 N GLU A 25 1.418 17.214 -8.451 1.00 42.00 N ATOM 309 CA GLU A 25 2.643 17.827 -8.952 1.00 55.24 C ATOM 310 C GLU A 25 2.420 18.435 -10.334 1.00 63.35 C ATOM 311 O GLU A 25 3.373 18.716 -11.062 1.00 3.22 O ATOM 312 CB GLU A 25 3.769 16.794 -9.013 1.00 23.23 C ATOM 313 CG GLU A 25 4.700 16.838 -7.813 1.00 24.22 C ATOM 314 CD GLU A 25 6.160 16.943 -8.210 1.00 51.34 C ATOM 315 OE1 GLU A 25 6.590 18.050 -8.598 1.00 71.12 O ATOM 316 OE2 GLU A 25 6.872 15.920 -8.134 1.00 54.23 O ATOM 0 H GLU A 25 1.280 16.246 -8.742 1.00 42.00 H new ATOM 0 HA GLU A 25 2.928 18.623 -8.265 1.00 55.24 H new ATOM 0 HB2 GLU A 25 3.333 15.798 -9.088 1.00 23.23 H new ATOM 0 HB3 GLU A 25 4.351 16.956 -9.920 1.00 23.23 H new ATOM 0 HG2 GLU A 25 4.436 17.689 -7.184 1.00 24.22 H new ATOM 0 HG3 GLU A 25 4.555 15.940 -7.212 1.00 24.22 H new ATOM 323 N HIS A 26 1.155 18.634 -10.691 1.00 21.35 N ATOM 324 CA HIS A 26 0.807 19.208 -11.985 1.00 75.23 C ATOM 325 C HIS A 26 -0.188 20.353 -11.822 1.00 32.02 C ATOM 326 O HIS A 26 -0.525 20.742 -10.703 1.00 23.43 O ATOM 327 CB HIS A 26 0.220 18.134 -12.902 1.00 35.23 C ATOM 328 CG HIS A 26 1.204 17.075 -13.291 1.00 25.21 C ATOM 329 ND1 HIS A 26 1.863 16.285 -12.372 1.00 72.00 N ATOM 330 CD2 HIS A 26 1.641 16.676 -14.509 1.00 33.14 C ATOM 331 CE1 HIS A 26 2.663 15.447 -13.008 1.00 15.34 C ATOM 332 NE2 HIS A 26 2.546 15.664 -14.305 1.00 61.33 N ATOM 0 H HIS A 26 0.354 18.406 -10.102 1.00 21.35 H new ATOM 0 HA HIS A 26 1.717 19.603 -12.436 1.00 75.23 H new ATOM 0 HB2 HIS A 26 -0.627 17.665 -12.402 1.00 35.23 H new ATOM 0 HB3 HIS A 26 -0.165 18.609 -13.804 1.00 35.23 H new ATOM 0 HD2 HIS A 26 1.335 17.079 -15.463 1.00 33.14 H new ATOM 0 HE1 HIS A 26 3.303 14.710 -12.546 1.00 15.34 H new ATOM 0 HE2 HIS A 26 3.047 15.161 -15.037 1.00 61.33 H new ATOM 340 N HIS A 27 -0.655 20.890 -12.945 1.00 1.04 N ATOM 341 CA HIS A 27 -1.611 21.991 -12.926 1.00 12.25 C ATOM 342 C HIS A 27 -2.388 22.059 -14.237 1.00 0.10 C ATOM 343 O HIS A 27 -2.113 21.308 -15.173 1.00 33.50 O ATOM 344 CB HIS A 27 -0.890 23.316 -12.677 1.00 52.41 C ATOM 345 CG HIS A 27 -0.059 23.772 -13.836 1.00 42.44 C ATOM 346 ND1 HIS A 27 0.702 22.913 -14.601 1.00 53.32 N ATOM 347 CD2 HIS A 27 0.128 25.006 -14.361 1.00 54.13 C ATOM 348 CE1 HIS A 27 1.321 23.599 -15.545 1.00 63.02 C ATOM 349 NE2 HIS A 27 0.989 24.871 -15.422 1.00 4.52 N ATOM 0 H HIS A 27 -0.387 20.580 -13.879 1.00 1.04 H new ATOM 0 HA HIS A 27 -2.317 21.812 -12.115 1.00 12.25 H new ATOM 0 HB2 HIS A 27 -1.628 24.084 -12.445 1.00 52.41 H new ATOM 0 HB3 HIS A 27 -0.251 23.213 -11.800 1.00 52.41 H new ATOM 0 HD1 HIS A 27 0.775 21.905 -14.460 1.00 53.32 H new ATOM 0 HD2 HIS A 27 -0.317 25.925 -14.010 1.00 54.13 H new ATOM 0 HE1 HIS A 27 1.986 23.189 -16.291 1.00 63.02 H new ATOM 357 N CYS A 28 -3.359 22.964 -14.298 1.00 33.24 N ATOM 358 CA CYS A 28 -4.177 23.130 -15.493 1.00 71.40 C ATOM 359 C CYS A 28 -3.695 24.317 -16.321 1.00 54.32 C ATOM 360 O CYS A 28 -4.015 25.468 -16.021 1.00 3.02 O ATOM 361 CB CYS A 28 -5.645 23.324 -15.109 1.00 74.51 C ATOM 362 SG CYS A 28 -6.814 22.379 -16.138 1.00 72.54 S ATOM 0 H CYS A 28 -3.599 23.594 -13.533 1.00 33.24 H new ATOM 0 HA CYS A 28 -4.083 22.227 -16.096 1.00 71.40 H new ATOM 0 HB2 CYS A 28 -5.778 23.034 -14.067 1.00 74.51 H new ATOM 0 HB3 CYS A 28 -5.891 24.384 -15.179 1.00 74.51 H new ATOM 367 N HIS A 29 -2.925 24.030 -17.366 1.00 21.33 N ATOM 368 CA HIS A 29 -2.399 25.074 -18.238 1.00 74.44 C ATOM 369 C HIS A 29 -3.492 25.617 -19.154 1.00 60.24 C ATOM 370 O HIS A 29 -4.050 24.886 -19.974 1.00 12.15 O ATOM 371 CB HIS A 29 -1.239 24.533 -19.074 1.00 72.54 C ATOM 372 CG HIS A 29 -0.446 25.601 -19.761 1.00 53.53 C ATOM 373 ND1 HIS A 29 -0.179 26.827 -19.188 1.00 35.35 N ATOM 374 CD2 HIS A 29 0.140 25.623 -20.981 1.00 5.02 C ATOM 375 CE1 HIS A 29 0.536 27.556 -20.025 1.00 54.22 C ATOM 376 NE2 HIS A 29 0.744 26.849 -21.121 1.00 31.42 N ATOM 0 H HIS A 29 -2.652 23.083 -17.629 1.00 21.33 H new ATOM 0 HA HIS A 29 -2.036 25.889 -17.611 1.00 74.44 H new ATOM 0 HB2 HIS A 29 -0.575 23.957 -18.429 1.00 72.54 H new ATOM 0 HB3 HIS A 29 -1.632 23.845 -19.823 1.00 72.54 H new ATOM 0 HD2 HIS A 29 0.134 24.825 -21.709 1.00 5.02 H new ATOM 0 HE1 HIS A 29 0.891 28.560 -19.844 1.00 54.22 H new ATOM 0 HE2 HIS A 29 1.268 27.162 -21.938 1.00 31.42 H new ATOM 384 N CYS A 30 -3.793 26.903 -19.010 1.00 31.01 N ATOM 385 CA CYS A 30 -4.819 27.545 -19.823 1.00 33.44 C ATOM 386 C CYS A 30 -4.209 28.612 -20.727 1.00 21.42 C ATOM 387 O CYS A 30 -4.359 29.812 -20.500 1.00 43.54 O ATOM 388 CB CYS A 30 -5.891 28.171 -18.928 1.00 24.23 C ATOM 389 SG CYS A 30 -6.868 26.961 -17.980 1.00 32.50 S ATOM 0 H CYS A 30 -3.340 27.522 -18.337 1.00 31.01 H new ATOM 0 HA CYS A 30 -5.279 26.782 -20.451 1.00 33.44 H new ATOM 0 HB2 CYS A 30 -5.411 28.860 -18.232 1.00 24.23 H new ATOM 0 HB3 CYS A 30 -6.566 28.762 -19.547 1.00 24.23 H new ATOM 394 N PRO A 31 -3.504 28.165 -21.777 1.00 31.42 N ATOM 395 CA PRO A 31 -2.857 29.064 -22.737 1.00 15.11 C ATOM 396 C PRO A 31 -3.867 29.807 -23.606 1.00 23.21 C ATOM 397 O PRO A 31 -5.072 29.745 -23.365 1.00 21.32 O ATOM 398 CB PRO A 31 -2.009 28.120 -23.592 1.00 24.34 C ATOM 399 CG PRO A 31 -2.691 26.799 -23.488 1.00 44.34 C ATOM 400 CD PRO A 31 -3.284 26.747 -22.108 1.00 34.31 C ATOM 0 HA PRO A 31 -2.280 29.844 -22.240 1.00 15.11 H new ATOM 0 HB2 PRO A 31 -1.960 28.460 -24.627 1.00 24.34 H new ATOM 0 HB3 PRO A 31 -0.984 28.066 -23.225 1.00 24.34 H new ATOM 0 HG2 PRO A 31 -3.465 26.698 -24.249 1.00 44.34 H new ATOM 0 HG3 PRO A 31 -1.985 25.982 -23.641 1.00 44.34 H new ATOM 0 HD2 PRO A 31 -4.216 26.182 -22.092 1.00 34.31 H new ATOM 0 HD3 PRO A 31 -2.609 26.269 -21.398 1.00 34.31 H new ATOM 408 N ALA A 32 -3.366 30.508 -24.618 1.00 14.55 N ATOM 409 CA ALA A 32 -4.225 31.261 -25.524 1.00 20.12 C ATOM 410 C ALA A 32 -3.722 31.168 -26.960 1.00 74.45 C ATOM 411 O ALA A 32 -2.527 31.295 -27.220 1.00 5.04 O ATOM 412 CB ALA A 32 -4.309 32.715 -25.085 1.00 40.54 C ATOM 0 H ALA A 32 -2.370 30.570 -24.831 1.00 14.55 H new ATOM 0 HA ALA A 32 -5.223 30.824 -25.487 1.00 20.12 H new ATOM 0 HB1 ALA A 32 -4.954 33.265 -25.770 1.00 40.54 H new ATOM 0 HB2 ALA A 32 -4.722 32.768 -24.078 1.00 40.54 H new ATOM 0 HB3 ALA A 32 -3.312 33.155 -25.092 1.00 40.54 H new ATOM 418 N GLY A 33 -4.644 30.943 -27.892 1.00 14.30 N ATOM 419 CA GLY A 33 -4.275 30.836 -29.291 1.00 65.21 C ATOM 420 C GLY A 33 -4.841 31.965 -30.129 1.00 3.11 C ATOM 421 O GLY A 33 -5.921 32.481 -29.841 1.00 61.11 O ATOM 0 H GLY A 33 -5.640 30.833 -27.702 1.00 14.30 H new ATOM 0 HA2 GLY A 33 -3.188 30.833 -29.378 1.00 65.21 H new ATOM 0 HA3 GLY A 33 -4.629 29.883 -29.685 1.00 65.21 H new ATOM 425 N LYS A 34 -4.109 32.352 -31.169 1.00 15.34 N ATOM 426 CA LYS A 34 -4.544 33.428 -32.052 1.00 3.34 C ATOM 427 C LYS A 34 -5.806 33.033 -32.811 1.00 60.22 C ATOM 428 O LYS A 34 -6.426 32.011 -32.514 1.00 43.52 O ATOM 429 CB LYS A 34 -3.431 33.785 -33.040 1.00 73.44 C ATOM 430 CG LYS A 34 -2.062 33.910 -32.396 1.00 23.12 C ATOM 431 CD LYS A 34 -1.322 35.140 -32.893 1.00 43.23 C ATOM 432 CE LYS A 34 -0.915 34.994 -34.352 1.00 4.05 C ATOM 433 NZ LYS A 34 0.506 35.382 -34.572 1.00 50.14 N ATOM 0 H LYS A 34 -3.212 31.936 -31.421 1.00 15.34 H new ATOM 0 HA LYS A 34 -4.770 34.300 -31.438 1.00 3.34 H new ATOM 0 HB2 LYS A 34 -3.389 33.022 -33.818 1.00 73.44 H new ATOM 0 HB3 LYS A 34 -3.680 34.726 -33.530 1.00 73.44 H new ATOM 0 HG2 LYS A 34 -2.172 33.963 -31.313 1.00 23.12 H new ATOM 0 HG3 LYS A 34 -1.474 33.018 -32.613 1.00 23.12 H new ATOM 0 HD2 LYS A 34 -1.956 36.019 -32.777 1.00 43.23 H new ATOM 0 HD3 LYS A 34 -0.435 35.304 -32.281 1.00 43.23 H new ATOM 0 HE2 LYS A 34 -1.063 33.962 -34.669 1.00 4.05 H new ATOM 0 HE3 LYS A 34 -1.561 35.614 -34.973 1.00 4.05 H new ATOM 0 HZ1 LYS A 34 0.745 35.269 -35.578 1.00 50.14 H new ATOM 0 HZ2 LYS A 34 0.642 36.375 -34.293 1.00 50.14 H new ATOM 0 HZ3 LYS A 34 1.125 34.774 -33.999 1.00 50.14 H new ATOM 447 N TRP A 35 -6.180 33.846 -33.792 1.00 2.40 N ATOM 448 CA TRP A 35 -7.368 33.580 -34.595 1.00 22.20 C ATOM 449 C TRP A 35 -8.580 33.326 -33.706 1.00 30.42 C ATOM 450 O TRP A 35 -8.874 32.183 -33.352 1.00 12.01 O ATOM 451 CB TRP A 35 -7.130 32.378 -35.511 1.00 34.24 C ATOM 452 CG TRP A 35 -8.376 31.892 -36.188 1.00 31.44 C ATOM 453 CD1 TRP A 35 -8.938 30.651 -36.078 1.00 44.53 C ATOM 454 CD2 TRP A 35 -9.213 32.636 -37.080 1.00 21.14 C ATOM 455 NE1 TRP A 35 -10.073 30.580 -36.849 1.00 31.03 N ATOM 456 CE2 TRP A 35 -10.264 31.785 -37.472 1.00 72.53 C ATOM 457 CE3 TRP A 35 -9.178 33.939 -37.583 1.00 63.12 C ATOM 458 CZ2 TRP A 35 -11.268 32.196 -38.345 1.00 70.31 C ATOM 459 CZ3 TRP A 35 -10.175 34.345 -38.450 1.00 5.34 C ATOM 460 CH2 TRP A 35 -11.209 33.477 -38.823 1.00 24.41 C ATOM 0 H TRP A 35 -5.678 34.695 -34.051 1.00 2.40 H new ATOM 0 HA TRP A 35 -7.568 34.460 -35.206 1.00 22.20 H new ATOM 0 HB2 TRP A 35 -6.395 32.648 -36.269 1.00 34.24 H new ATOM 0 HB3 TRP A 35 -6.701 31.564 -34.927 1.00 34.24 H new ATOM 0 HD1 TRP A 35 -8.548 29.845 -35.474 1.00 44.53 H new ATOM 0 HE1 TRP A 35 -10.676 29.762 -36.942 1.00 31.03 H new ATOM 0 HE3 TRP A 35 -8.386 34.617 -37.300 1.00 63.12 H new ATOM 0 HZ2 TRP A 35 -12.065 31.527 -38.635 1.00 70.31 H new ATOM 0 HZ3 TRP A 35 -10.156 35.349 -38.847 1.00 5.34 H new ATOM 0 HH2 TRP A 35 -11.974 33.825 -39.501 1.00 24.41 H new ATOM 471 N LEU A 36 -9.281 34.396 -33.348 1.00 5.01 N ATOM 472 CA LEU A 36 -10.462 34.288 -32.499 1.00 54.45 C ATOM 473 C LEU A 36 -10.150 33.507 -31.227 1.00 72.45 C ATOM 474 O LEU A 36 -10.562 32.359 -31.058 1.00 33.10 O ATOM 475 CB LEU A 36 -11.602 33.610 -33.262 1.00 2.00 C ATOM 476 CG LEU A 36 -12.517 34.536 -34.065 1.00 24.51 C ATOM 477 CD1 LEU A 36 -13.218 35.522 -33.145 1.00 12.34 C ATOM 478 CD2 LEU A 36 -11.724 35.272 -35.135 1.00 1.13 C ATOM 0 H LEU A 36 -9.052 35.348 -33.632 1.00 5.01 H new ATOM 0 HA LEU A 36 -10.770 35.295 -32.217 1.00 54.45 H new ATOM 0 HB2 LEU A 36 -11.171 32.878 -33.944 1.00 2.00 H new ATOM 0 HB3 LEU A 36 -12.213 33.059 -32.547 1.00 2.00 H new ATOM 0 HG LEU A 36 -13.276 33.928 -34.558 1.00 24.51 H new ATOM 0 HD11 LEU A 36 -13.865 36.173 -33.734 1.00 12.34 H new ATOM 0 HD12 LEU A 36 -13.818 34.977 -32.417 1.00 12.34 H new ATOM 0 HD13 LEU A 36 -12.475 36.125 -32.624 1.00 12.34 H new ATOM 0 HD21 LEU A 36 -12.391 35.926 -35.697 1.00 1.13 H new ATOM 0 HD22 LEU A 36 -10.943 35.868 -34.663 1.00 1.13 H new ATOM 0 HD23 LEU A 36 -11.269 34.549 -35.813 1.00 1.13 H new ATOM 490 N PRO A 37 -9.406 34.142 -30.310 1.00 31.32 N ATOM 491 CA PRO A 37 -9.025 33.525 -29.036 1.00 5.44 C ATOM 492 C PRO A 37 -10.213 33.354 -28.096 1.00 30.22 C ATOM 493 O PRO A 37 -10.916 34.315 -27.786 1.00 63.10 O ATOM 494 CB PRO A 37 -8.018 34.518 -28.449 1.00 1.11 C ATOM 495 CG PRO A 37 -8.373 35.827 -29.066 1.00 31.15 C ATOM 496 CD PRO A 37 -8.880 35.511 -30.445 1.00 75.42 C ATOM 0 HA PRO A 37 -8.625 32.521 -29.173 1.00 5.44 H new ATOM 0 HB2 PRO A 37 -8.091 34.560 -27.362 1.00 1.11 H new ATOM 0 HB3 PRO A 37 -6.994 34.232 -28.689 1.00 1.11 H new ATOM 0 HG2 PRO A 37 -9.134 36.341 -28.479 1.00 31.15 H new ATOM 0 HG3 PRO A 37 -7.505 36.485 -29.111 1.00 31.15 H new ATOM 0 HD2 PRO A 37 -9.655 36.210 -30.758 1.00 75.42 H new ATOM 0 HD3 PRO A 37 -8.084 35.564 -31.188 1.00 75.42 H new ATOM 504 N GLY A 38 -10.432 32.122 -27.645 1.00 10.34 N ATOM 505 CA GLY A 38 -11.536 31.848 -26.744 1.00 75.31 C ATOM 506 C GLY A 38 -11.967 30.395 -26.781 1.00 22.24 C ATOM 507 O GLY A 38 -12.488 29.869 -25.796 1.00 63.31 O ATOM 0 H GLY A 38 -9.865 31.310 -27.888 1.00 10.34 H new ATOM 0 HA2 GLY A 38 -11.245 32.112 -25.727 1.00 75.31 H new ATOM 0 HA3 GLY A 38 -12.383 32.482 -27.008 1.00 75.31 H new ATOM 511 N LEU A 39 -11.751 29.744 -27.918 1.00 50.04 N ATOM 512 CA LEU A 39 -12.122 28.342 -28.080 1.00 42.44 C ATOM 513 C LEU A 39 -11.079 27.427 -27.447 1.00 70.35 C ATOM 514 O LEU A 39 -11.384 26.301 -27.053 1.00 22.02 O ATOM 515 CB LEU A 39 -12.281 28.005 -29.564 1.00 24.42 C ATOM 516 CG LEU A 39 -13.683 27.591 -30.012 1.00 22.45 C ATOM 517 CD1 LEU A 39 -14.134 26.344 -29.267 1.00 73.53 C ATOM 518 CD2 LEU A 39 -14.669 28.729 -29.796 1.00 34.00 C ATOM 0 H LEU A 39 -11.321 30.164 -28.742 1.00 50.04 H new ATOM 0 HA LEU A 39 -13.074 28.182 -27.574 1.00 42.44 H new ATOM 0 HB2 LEU A 39 -11.977 28.874 -30.148 1.00 24.42 H new ATOM 0 HB3 LEU A 39 -11.590 27.198 -29.809 1.00 24.42 H new ATOM 0 HG LEU A 39 -13.651 27.362 -31.077 1.00 22.45 H new ATOM 0 HD11 LEU A 39 -15.134 26.064 -29.598 1.00 73.53 H new ATOM 0 HD12 LEU A 39 -13.442 25.527 -29.472 1.00 73.53 H new ATOM 0 HD13 LEU A 39 -14.150 26.546 -28.196 1.00 73.53 H new ATOM 0 HD21 LEU A 39 -15.662 28.417 -30.120 1.00 34.00 H new ATOM 0 HD22 LEU A 39 -14.698 28.989 -28.738 1.00 34.00 H new ATOM 0 HD23 LEU A 39 -14.355 29.598 -30.375 1.00 34.00 H new ATOM 530 N PHE A 40 -9.848 27.918 -27.352 1.00 21.32 N ATOM 531 CA PHE A 40 -8.760 27.144 -26.765 1.00 43.14 C ATOM 532 C PHE A 40 -9.151 26.612 -25.390 1.00 23.50 C ATOM 533 O PHE A 40 -9.840 27.286 -24.624 1.00 60.35 O ATOM 534 CB PHE A 40 -7.498 28.003 -26.652 1.00 73.25 C ATOM 535 CG PHE A 40 -7.700 29.263 -25.861 1.00 0.05 C ATOM 536 CD1 PHE A 40 -7.702 29.234 -24.475 1.00 62.33 C ATOM 537 CD2 PHE A 40 -7.888 30.477 -26.501 1.00 53.04 C ATOM 538 CE1 PHE A 40 -7.887 30.392 -23.743 1.00 63.44 C ATOM 539 CE2 PHE A 40 -8.073 31.638 -25.775 1.00 13.11 C ATOM 540 CZ PHE A 40 -8.074 31.595 -24.394 1.00 43.23 C ATOM 0 H PHE A 40 -9.579 28.848 -27.674 1.00 21.32 H new ATOM 0 HA PHE A 40 -8.557 26.296 -27.419 1.00 43.14 H new ATOM 0 HB2 PHE A 40 -6.708 27.414 -26.187 1.00 73.25 H new ATOM 0 HB3 PHE A 40 -7.154 28.263 -27.653 1.00 73.25 H new ATOM 0 HD1 PHE A 40 -7.557 28.295 -23.961 1.00 62.33 H new ATOM 0 HD2 PHE A 40 -7.890 30.517 -27.580 1.00 53.04 H new ATOM 0 HE1 PHE A 40 -7.885 30.356 -22.664 1.00 63.44 H new ATOM 0 HE2 PHE A 40 -8.217 32.578 -26.287 1.00 13.11 H new ATOM 0 HZ PHE A 40 -8.221 32.501 -23.825 1.00 43.23 H new ATOM 550 N ARG A 41 -8.706 25.397 -25.084 1.00 50.10 N ATOM 551 CA ARG A 41 -9.010 24.772 -23.802 1.00 54.44 C ATOM 552 C ARG A 41 -7.750 24.627 -22.955 1.00 45.03 C ATOM 553 O ARG A 41 -6.658 25.012 -23.376 1.00 71.11 O ATOM 554 CB ARG A 41 -9.653 23.401 -24.019 1.00 50.20 C ATOM 555 CG ARG A 41 -9.059 22.628 -25.185 1.00 20.53 C ATOM 556 CD ARG A 41 -9.860 22.840 -26.460 1.00 64.20 C ATOM 557 NE ARG A 41 -8.998 23.090 -27.612 1.00 63.22 N ATOM 558 CZ ARG A 41 -8.346 22.133 -28.264 1.00 11.02 C ATOM 559 NH1 ARG A 41 -8.458 20.869 -27.879 1.00 14.31 N ATOM 560 NH2 ARG A 41 -7.581 22.440 -29.303 1.00 64.44 N ATOM 0 H ARG A 41 -8.134 24.826 -25.706 1.00 50.10 H new ATOM 0 HA ARG A 41 -9.712 25.415 -23.270 1.00 54.44 H new ATOM 0 HB2 ARG A 41 -9.545 22.810 -23.109 1.00 50.20 H new ATOM 0 HB3 ARG A 41 -10.722 23.533 -24.188 1.00 50.20 H new ATOM 0 HG2 ARG A 41 -8.028 22.944 -25.345 1.00 20.53 H new ATOM 0 HG3 ARG A 41 -9.033 21.566 -24.943 1.00 20.53 H new ATOM 0 HD2 ARG A 41 -10.476 21.961 -26.652 1.00 64.20 H new ATOM 0 HD3 ARG A 41 -10.539 23.682 -26.326 1.00 64.20 H new ATOM 0 HE ARG A 41 -8.890 24.052 -27.934 1.00 63.22 H new ATOM 0 HH11 ARG A 41 -9.046 20.629 -27.081 1.00 14.31 H new ATOM 0 HH12 ARG A 41 -7.956 20.137 -28.381 1.00 14.31 H new ATOM 0 HH21 ARG A 41 -7.493 23.411 -29.602 1.00 64.44 H new ATOM 0 HH22 ARG A 41 -7.081 21.705 -29.803 1.00 64.44 H new ATOM 574 N CYS A 42 -7.907 24.070 -21.759 1.00 74.34 N ATOM 575 CA CYS A 42 -6.783 23.874 -20.852 1.00 73.10 C ATOM 576 C CYS A 42 -6.291 22.430 -20.899 1.00 54.20 C ATOM 577 O CYS A 42 -6.989 21.540 -21.386 1.00 61.31 O ATOM 578 CB CYS A 42 -7.185 24.241 -19.422 1.00 52.11 C ATOM 579 SG CYS A 42 -7.959 25.883 -19.266 1.00 21.25 S ATOM 0 H CYS A 42 -8.803 23.746 -21.395 1.00 74.34 H new ATOM 0 HA CYS A 42 -5.971 24.526 -21.173 1.00 73.10 H new ATOM 0 HB2 CYS A 42 -7.877 23.488 -19.046 1.00 52.11 H new ATOM 0 HB3 CYS A 42 -6.300 24.206 -18.787 1.00 52.11 H new ATOM 584 N THR A 43 -5.084 22.205 -20.389 1.00 15.12 N ATOM 585 CA THR A 43 -4.498 20.871 -20.373 1.00 31.11 C ATOM 586 C THR A 43 -3.682 20.644 -19.106 1.00 2.23 C ATOM 587 O THR A 43 -3.044 21.564 -18.593 1.00 10.32 O ATOM 588 CB THR A 43 -3.596 20.639 -21.600 1.00 3.24 C ATOM 589 OG1 THR A 43 -2.614 21.678 -21.689 1.00 54.21 O ATOM 590 CG2 THR A 43 -4.419 20.601 -22.878 1.00 15.31 C ATOM 0 H THR A 43 -4.493 22.930 -19.982 1.00 15.12 H new ATOM 0 HA THR A 43 -5.325 20.162 -20.400 1.00 31.11 H new ATOM 0 HB THR A 43 -3.097 19.677 -21.480 1.00 3.24 H new ATOM 0 HG1 THR A 43 -2.043 21.523 -22.470 1.00 54.21 H new ATOM 0 HG21 THR A 43 -3.760 20.436 -23.730 1.00 15.31 H new ATOM 0 HG22 THR A 43 -5.146 19.791 -22.819 1.00 15.31 H new ATOM 0 HG23 THR A 43 -4.942 21.549 -23.002 1.00 15.31 H new ATOM 598 N CYS A 44 -3.705 19.414 -18.605 1.00 22.41 N ATOM 599 CA CYS A 44 -2.967 19.065 -17.397 1.00 45.11 C ATOM 600 C CYS A 44 -1.492 18.826 -17.711 1.00 34.04 C ATOM 601 O CYS A 44 -1.152 17.953 -18.508 1.00 25.43 O ATOM 602 CB CYS A 44 -3.570 17.818 -16.747 1.00 42.24 C ATOM 603 SG CYS A 44 -4.759 18.176 -15.414 1.00 63.32 S ATOM 0 H CYS A 44 -4.227 18.641 -19.017 1.00 22.41 H new ATOM 0 HA CYS A 44 -3.042 19.901 -16.701 1.00 45.11 H new ATOM 0 HB2 CYS A 44 -4.068 17.226 -17.515 1.00 42.24 H new ATOM 0 HB3 CYS A 44 -2.764 17.205 -16.345 1.00 42.24 H new ATOM 608 N GLN A 45 -0.624 19.608 -17.077 1.00 51.15 N ATOM 609 CA GLN A 45 0.813 19.482 -17.289 1.00 70.53 C ATOM 610 C GLN A 45 1.573 19.649 -15.978 1.00 4.00 C ATOM 611 O GLN A 45 1.036 20.165 -14.998 1.00 34.51 O ATOM 612 CB GLN A 45 1.293 20.518 -18.307 1.00 20.20 C ATOM 613 CG GLN A 45 0.842 20.228 -19.729 1.00 51.04 C ATOM 614 CD GLN A 45 1.129 18.801 -20.153 1.00 54.03 C ATOM 615 OE1 GLN A 45 2.142 18.218 -19.767 1.00 11.03 O ATOM 616 NE2 GLN A 45 0.235 18.230 -20.953 1.00 22.24 N ATOM 0 H GLN A 45 -0.891 20.335 -16.413 1.00 51.15 H new ATOM 0 HA GLN A 45 1.011 18.483 -17.678 1.00 70.53 H new ATOM 0 HB2 GLN A 45 0.927 21.501 -18.012 1.00 20.20 H new ATOM 0 HB3 GLN A 45 2.382 20.562 -18.282 1.00 20.20 H new ATOM 0 HG2 GLN A 45 -0.228 20.420 -19.813 1.00 51.04 H new ATOM 0 HG3 GLN A 45 1.343 20.914 -20.412 1.00 51.04 H new ATOM 0 HE21 GLN A 45 -0.591 18.751 -21.249 1.00 22.24 H new ATOM 0 HE22 GLN A 45 0.375 17.271 -21.272 1.00 22.24 H new ATOM 625 N VAL A 46 2.828 19.210 -15.967 1.00 31.43 N ATOM 626 CA VAL A 46 3.663 19.311 -14.776 1.00 0.51 C ATOM 627 C VAL A 46 3.662 20.732 -14.224 1.00 13.43 C ATOM 628 O VAL A 46 3.442 21.696 -14.958 1.00 55.30 O ATOM 629 CB VAL A 46 5.114 18.888 -15.070 1.00 44.23 C ATOM 630 CG1 VAL A 46 5.916 18.795 -13.781 1.00 12.52 C ATOM 631 CG2 VAL A 46 5.141 17.565 -15.821 1.00 3.23 C ATOM 0 H VAL A 46 3.289 18.781 -16.770 1.00 31.43 H new ATOM 0 HA VAL A 46 3.239 18.635 -14.034 1.00 0.51 H new ATOM 0 HB VAL A 46 5.574 19.648 -15.701 1.00 44.23 H new ATOM 0 HG11 VAL A 46 6.939 18.495 -14.010 1.00 12.52 H new ATOM 0 HG12 VAL A 46 5.925 19.767 -13.287 1.00 12.52 H new ATOM 0 HG13 VAL A 46 5.460 18.057 -13.121 1.00 12.52 H new ATOM 0 HG21 VAL A 46 6.174 17.281 -16.021 1.00 3.23 H new ATOM 0 HG22 VAL A 46 4.663 16.794 -15.217 1.00 3.23 H new ATOM 0 HG23 VAL A 46 4.605 17.671 -16.764 1.00 3.23 H new ATOM 641 N THR A 47 3.910 20.857 -12.923 1.00 75.54 N ATOM 642 CA THR A 47 3.936 22.160 -12.271 1.00 65.34 C ATOM 643 C THR A 47 5.148 22.971 -12.715 1.00 1.50 C ATOM 644 O THR A 47 6.249 22.794 -12.195 1.00 61.21 O ATOM 645 CB THR A 47 3.960 22.020 -10.738 1.00 11.04 C ATOM 646 OG1 THR A 47 4.740 20.880 -10.361 1.00 45.03 O ATOM 647 CG2 THR A 47 2.549 21.880 -10.185 1.00 64.13 C ATOM 0 H THR A 47 4.096 20.071 -12.301 1.00 75.54 H new ATOM 0 HA THR A 47 3.025 22.681 -12.566 1.00 65.34 H new ATOM 0 HB THR A 47 4.410 22.921 -10.321 1.00 11.04 H new ATOM 0 HG1 THR A 47 4.177 20.078 -10.380 1.00 45.03 H new ATOM 0 HG21 THR A 47 2.591 21.783 -9.100 1.00 64.13 H new ATOM 0 HG22 THR A 47 1.966 22.763 -10.448 1.00 64.13 H new ATOM 0 HG23 THR A 47 2.078 20.994 -10.611 1.00 64.13 H new ATOM 655 N GLU A 48 4.937 23.863 -13.678 1.00 50.02 N ATOM 656 CA GLU A 48 6.014 24.702 -14.191 1.00 13.00 C ATOM 657 C GLU A 48 5.747 26.174 -13.890 1.00 21.03 C ATOM 658 O GLU A 48 6.641 26.902 -13.459 1.00 10.24 O ATOM 659 CB GLU A 48 6.174 24.500 -15.699 1.00 72.32 C ATOM 660 CG GLU A 48 4.858 24.520 -16.459 1.00 20.40 C ATOM 661 CD GLU A 48 5.039 24.281 -17.945 1.00 41.25 C ATOM 662 OE1 GLU A 48 6.147 24.546 -18.457 1.00 62.24 O ATOM 663 OE2 GLU A 48 4.074 23.831 -18.597 1.00 33.33 O ATOM 0 H GLU A 48 4.031 24.023 -14.118 1.00 50.02 H new ATOM 0 HA GLU A 48 6.938 24.408 -13.692 1.00 13.00 H new ATOM 0 HB2 GLU A 48 6.824 25.280 -16.095 1.00 72.32 H new ATOM 0 HB3 GLU A 48 6.673 23.548 -15.879 1.00 72.32 H new ATOM 0 HG2 GLU A 48 4.195 23.757 -16.050 1.00 20.40 H new ATOM 0 HG3 GLU A 48 4.369 25.482 -16.306 1.00 20.40 H new ATOM 670 N SER A 49 4.511 26.605 -14.121 1.00 30.35 N ATOM 671 CA SER A 49 4.127 27.990 -13.878 1.00 54.44 C ATOM 672 C SER A 49 4.060 28.282 -12.382 1.00 53.14 C ATOM 673 O SER A 49 4.347 27.416 -11.556 1.00 73.53 O ATOM 674 CB SER A 49 2.774 28.288 -14.528 1.00 70.45 C ATOM 675 OG SER A 49 2.656 29.661 -14.856 1.00 5.30 O ATOM 0 H SER A 49 3.759 26.015 -14.476 1.00 30.35 H new ATOM 0 HA SER A 49 4.886 28.634 -14.322 1.00 54.44 H new ATOM 0 HB2 SER A 49 2.659 27.685 -15.429 1.00 70.45 H new ATOM 0 HB3 SER A 49 1.970 28.003 -13.849 1.00 70.45 H new ATOM 0 HG SER A 49 1.783 29.824 -15.271 1.00 5.30 H new ATOM 681 N ASP A 50 3.679 29.508 -12.042 1.00 1.42 N ATOM 682 CA ASP A 50 3.573 29.916 -10.646 1.00 31.14 C ATOM 683 C ASP A 50 2.262 29.429 -10.036 1.00 0.53 C ATOM 684 O ASP A 50 2.233 28.945 -8.904 1.00 60.23 O ATOM 685 CB ASP A 50 3.671 31.438 -10.527 1.00 61.35 C ATOM 686 CG ASP A 50 4.926 31.989 -11.175 1.00 62.11 C ATOM 687 OD1 ASP A 50 6.033 31.587 -10.760 1.00 60.33 O ATOM 688 OD2 ASP A 50 4.802 32.823 -12.096 1.00 55.23 O ATOM 0 H ASP A 50 3.438 30.237 -12.714 1.00 1.42 H new ATOM 0 HA ASP A 50 4.399 29.463 -10.098 1.00 31.14 H new ATOM 0 HB2 ASP A 50 2.796 31.893 -10.991 1.00 61.35 H new ATOM 0 HB3 ASP A 50 3.656 31.719 -9.474 1.00 61.35 H new ATOM 693 N LYS A 51 1.178 29.563 -10.792 1.00 51.03 N ATOM 694 CA LYS A 51 -0.137 29.137 -10.328 1.00 10.43 C ATOM 695 C LYS A 51 -0.403 27.683 -10.704 1.00 5.22 C ATOM 696 O LYS A 51 -0.716 27.376 -11.854 1.00 43.21 O ATOM 697 CB LYS A 51 -1.225 30.035 -10.920 1.00 53.45 C ATOM 698 CG LYS A 51 -0.900 31.517 -10.844 1.00 44.01 C ATOM 699 CD LYS A 51 -2.109 32.372 -11.182 1.00 14.01 C ATOM 700 CE LYS A 51 -2.033 33.735 -10.512 1.00 11.32 C ATOM 701 NZ LYS A 51 -1.276 34.717 -11.337 1.00 14.42 N ATOM 0 H LYS A 51 1.184 29.964 -11.730 1.00 51.03 H new ATOM 0 HA LYS A 51 -0.156 29.222 -9.241 1.00 10.43 H new ATOM 0 HB2 LYS A 51 -1.384 29.760 -11.963 1.00 53.45 H new ATOM 0 HB3 LYS A 51 -2.162 29.850 -10.395 1.00 53.45 H new ATOM 0 HG2 LYS A 51 -0.549 31.762 -9.842 1.00 44.01 H new ATOM 0 HG3 LYS A 51 -0.087 31.748 -11.532 1.00 44.01 H new ATOM 0 HD2 LYS A 51 -2.175 32.500 -12.262 1.00 14.01 H new ATOM 0 HD3 LYS A 51 -3.018 31.860 -10.866 1.00 14.01 H new ATOM 0 HE2 LYS A 51 -3.041 34.110 -10.336 1.00 11.32 H new ATOM 0 HE3 LYS A 51 -1.555 33.635 -9.537 1.00 11.32 H new ATOM 0 HZ1 LYS A 51 -1.247 35.633 -10.846 1.00 14.42 H new ATOM 0 HZ2 LYS A 51 -0.306 34.372 -11.484 1.00 14.42 H new ATOM 0 HZ3 LYS A 51 -1.746 34.832 -12.258 1.00 14.42 H new ATOM 715 N VAL A 52 -0.277 26.791 -9.726 1.00 42.41 N ATOM 716 CA VAL A 52 -0.506 25.370 -9.954 1.00 62.41 C ATOM 717 C VAL A 52 -1.499 24.804 -8.945 1.00 54.45 C ATOM 718 O VAL A 52 -2.029 25.532 -8.107 1.00 35.32 O ATOM 719 CB VAL A 52 0.807 24.569 -9.869 1.00 22.11 C ATOM 720 CG1 VAL A 52 1.674 24.833 -11.091 1.00 21.25 C ATOM 721 CG2 VAL A 52 1.556 24.910 -8.590 1.00 24.34 C ATOM 0 H VAL A 52 -0.018 27.028 -8.768 1.00 42.41 H new ATOM 0 HA VAL A 52 -0.918 25.274 -10.959 1.00 62.41 H new ATOM 0 HB VAL A 52 0.564 23.507 -9.849 1.00 22.11 H new ATOM 0 HG11 VAL A 52 2.597 24.259 -11.013 1.00 21.25 H new ATOM 0 HG12 VAL A 52 1.136 24.534 -11.990 1.00 21.25 H new ATOM 0 HG13 VAL A 52 1.911 25.895 -11.146 1.00 21.25 H new ATOM 0 HG21 VAL A 52 2.481 24.335 -8.546 1.00 24.34 H new ATOM 0 HG22 VAL A 52 1.789 25.975 -8.578 1.00 24.34 H new ATOM 0 HG23 VAL A 52 0.935 24.665 -7.728 1.00 24.34 H new ATOM 731 N ASN A 53 -1.747 23.501 -9.033 1.00 42.42 N ATOM 732 CA ASN A 53 -2.677 22.837 -8.128 1.00 15.53 C ATOM 733 C ASN A 53 -2.348 23.163 -6.674 1.00 41.11 C ATOM 734 O ASN A 53 -1.184 23.346 -6.315 1.00 54.34 O ATOM 735 CB ASN A 53 -2.640 21.323 -8.344 1.00 45.32 C ATOM 736 CG ASN A 53 -3.982 20.668 -8.084 1.00 12.24 C ATOM 737 OD1 ASN A 53 -4.959 21.340 -7.753 1.00 33.03 O ATOM 738 ND2 ASN A 53 -4.036 19.350 -8.232 1.00 23.31 N ATOM 0 H ASN A 53 -1.317 22.884 -9.722 1.00 42.42 H new ATOM 0 HA ASN A 53 -3.680 23.203 -8.346 1.00 15.53 H new ATOM 0 HB2 ASN A 53 -2.328 21.112 -9.367 1.00 45.32 H new ATOM 0 HB3 ASN A 53 -1.891 20.883 -7.686 1.00 45.32 H new ATOM 0 HD21 ASN A 53 -4.912 18.854 -8.070 1.00 23.31 H new ATOM 0 HD22 ASN A 53 -3.201 18.833 -8.508 1.00 23.31 H new ATOM 745 N LYS A 54 -3.380 23.233 -5.841 1.00 12.05 N ATOM 746 CA LYS A 54 -3.202 23.534 -4.425 1.00 53.41 C ATOM 747 C LYS A 54 -3.460 22.299 -3.569 1.00 75.41 C ATOM 748 O LYS A 54 -3.391 22.356 -2.341 1.00 31.10 O ATOM 749 CB LYS A 54 -4.141 24.666 -4.002 1.00 0.44 C ATOM 750 CG LYS A 54 -5.607 24.371 -4.265 1.00 54.21 C ATOM 751 CD LYS A 54 -6.227 23.569 -3.133 1.00 61.12 C ATOM 752 CE LYS A 54 -6.844 22.274 -3.640 1.00 42.32 C ATOM 753 NZ LYS A 54 -7.999 21.845 -2.804 1.00 2.42 N ATOM 0 H LYS A 54 -4.349 23.085 -6.122 1.00 12.05 H new ATOM 0 HA LYS A 54 -2.170 23.850 -4.273 1.00 53.41 H new ATOM 0 HB2 LYS A 54 -4.004 24.862 -2.939 1.00 0.44 H new ATOM 0 HB3 LYS A 54 -3.861 25.576 -4.533 1.00 0.44 H new ATOM 0 HG2 LYS A 54 -6.151 25.307 -4.389 1.00 54.21 H new ATOM 0 HG3 LYS A 54 -5.706 23.819 -5.200 1.00 54.21 H new ATOM 0 HD2 LYS A 54 -5.466 23.343 -2.387 1.00 61.12 H new ATOM 0 HD3 LYS A 54 -6.991 24.168 -2.637 1.00 61.12 H new ATOM 0 HE2 LYS A 54 -7.172 22.407 -4.671 1.00 42.32 H new ATOM 0 HE3 LYS A 54 -6.088 21.489 -3.645 1.00 42.32 H new ATOM 0 HZ1 LYS A 54 -8.391 20.959 -3.182 1.00 2.42 H new ATOM 0 HZ2 LYS A 54 -7.682 21.693 -1.825 1.00 2.42 H new ATOM 0 HZ3 LYS A 54 -8.732 22.583 -2.820 1.00 2.42 H new ATOM 767 N CYS A 55 -3.757 21.182 -4.225 1.00 31.41 N ATOM 768 CA CYS A 55 -4.025 19.931 -3.525 1.00 5.24 C ATOM 769 C CYS A 55 -2.752 19.382 -2.887 1.00 64.54 C ATOM 770 O CYS A 55 -1.635 19.714 -3.285 1.00 61.35 O ATOM 771 CB CYS A 55 -4.613 18.898 -4.488 1.00 45.42 C ATOM 772 SG CYS A 55 -6.401 18.621 -4.280 1.00 22.31 S ATOM 0 H CYS A 55 -3.818 21.118 -5.241 1.00 31.41 H new ATOM 0 HA CYS A 55 -4.749 20.133 -2.735 1.00 5.24 H new ATOM 0 HB2 CYS A 55 -4.423 19.222 -5.511 1.00 45.42 H new ATOM 0 HB3 CYS A 55 -4.091 17.951 -4.351 1.00 45.42 H new ATOM 777 N PRO A 56 -2.922 18.520 -1.874 1.00 21.22 N ATOM 778 CA PRO A 56 -1.799 17.905 -1.160 1.00 63.12 C ATOM 779 C PRO A 56 -1.048 16.895 -2.021 1.00 43.35 C ATOM 780 O PRO A 56 -1.506 16.492 -3.091 1.00 14.25 O ATOM 781 CB PRO A 56 -2.471 17.203 0.023 1.00 51.45 C ATOM 782 CG PRO A 56 -3.863 16.938 -0.436 1.00 73.44 C ATOM 783 CD PRO A 56 -4.224 18.079 -1.347 1.00 33.24 C ATOM 0 HA PRO A 56 -1.051 18.642 -0.867 1.00 63.12 H new ATOM 0 HB2 PRO A 56 -1.955 16.277 0.279 1.00 51.45 H new ATOM 0 HB3 PRO A 56 -2.461 17.831 0.914 1.00 51.45 H new ATOM 0 HG2 PRO A 56 -3.926 15.985 -0.961 1.00 73.44 H new ATOM 0 HG3 PRO A 56 -4.549 16.882 0.410 1.00 73.44 H new ATOM 0 HD2 PRO A 56 -4.893 17.759 -2.146 1.00 33.24 H new ATOM 0 HD3 PRO A 56 -4.731 18.879 -0.807 1.00 33.24 H new ATOM 791 N PRO A 57 0.135 16.475 -1.547 1.00 54.33 N ATOM 792 CA PRO A 57 0.974 15.506 -2.259 1.00 13.35 C ATOM 793 C PRO A 57 0.367 14.107 -2.262 1.00 45.23 C ATOM 794 O PRO A 57 1.071 13.115 -2.072 1.00 14.42 O ATOM 795 CB PRO A 57 2.282 15.520 -1.464 1.00 63.04 C ATOM 796 CG PRO A 57 1.890 15.959 -0.096 1.00 3.11 C ATOM 797 CD PRO A 57 0.743 16.914 -0.280 1.00 21.30 C ATOM 0 HA PRO A 57 1.095 15.765 -3.311 1.00 13.35 H new ATOM 0 HB2 PRO A 57 2.744 14.533 -1.446 1.00 63.04 H new ATOM 0 HB3 PRO A 57 3.007 16.203 -1.906 1.00 63.04 H new ATOM 0 HG2 PRO A 57 1.594 15.108 0.517 1.00 3.11 H new ATOM 0 HG3 PRO A 57 2.724 16.444 0.412 1.00 3.11 H new ATOM 0 HD2 PRO A 57 0.035 16.856 0.547 1.00 21.30 H new ATOM 0 HD3 PRO A 57 1.085 17.947 -0.335 1.00 21.30 H new ATOM 805 N ALA A 58 -0.941 14.035 -2.481 1.00 34.02 N ATOM 806 CA ALA A 58 -1.641 12.757 -2.512 1.00 34.21 C ATOM 807 C ALA A 58 -1.329 11.930 -1.269 1.00 74.33 C ATOM 808 O ALA A 58 -1.329 10.700 -1.316 1.00 1.23 O ATOM 809 CB ALA A 58 -1.273 11.984 -3.769 1.00 64.53 C ATOM 0 H ALA A 58 -1.538 14.847 -2.640 1.00 34.02 H new ATOM 0 HA ALA A 58 -2.712 12.958 -2.523 1.00 34.21 H new ATOM 0 HB1 ALA A 58 -1.803 11.032 -3.779 1.00 64.53 H new ATOM 0 HB2 ALA A 58 -1.553 12.564 -4.648 1.00 64.53 H new ATOM 0 HB3 ALA A 58 -0.199 11.801 -3.782 1.00 64.53 H new ATOM 815 N GLU A 59 -1.064 12.613 -0.160 1.00 41.13 N ATOM 816 CA GLU A 59 -0.749 11.940 1.094 1.00 22.21 C ATOM 817 C GLU A 59 -1.932 11.106 1.576 1.00 14.24 C ATOM 818 O GLU A 59 -3.085 11.413 1.273 1.00 63.03 O ATOM 819 CB GLU A 59 -0.361 12.962 2.164 1.00 13.52 C ATOM 820 CG GLU A 59 0.469 12.376 3.294 1.00 13.40 C ATOM 821 CD GLU A 59 0.620 13.331 4.463 1.00 71.24 C ATOM 822 OE1 GLU A 59 0.769 14.547 4.221 1.00 65.31 O ATOM 823 OE2 GLU A 59 0.588 12.861 5.619 1.00 22.14 O ATOM 0 H GLU A 59 -1.061 13.631 -0.105 1.00 41.13 H new ATOM 0 HA GLU A 59 0.095 11.273 0.917 1.00 22.21 H new ATOM 0 HB2 GLU A 59 0.199 13.771 1.695 1.00 13.52 H new ATOM 0 HB3 GLU A 59 -1.268 13.401 2.580 1.00 13.52 H new ATOM 0 HG2 GLU A 59 0.004 11.453 3.641 1.00 13.40 H new ATOM 0 HG3 GLU A 59 1.456 12.112 2.915 1.00 13.40 H new