USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 636 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 61 HIS : no HD1:sc= -1.41 K(o=-1.7,f=-5.2) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.316 USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.0404 USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0.017 USER MOD Set 3.1: A 11 THR OG1 : rot 75:sc= 1.56 USER MOD Set 3.2: A 21 SER OG : rot 92:sc= 1.14 USER MOD Set 4.1: A 5 THR OG1 : rot -6:sc= 0.768 USER MOD Set 4.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0573 USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.821 (180deg=-1.12) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -23:sc= 0.114 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -25:sc= 0.192! USER MOD Single : A 33 SER OG : rot -77:sc= 1.18 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00328 USER MOD Single : A 45 THR OG1 : rot 124:sc= 0.745 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 31:sc= 0.0026 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 57 ASN : amide:sc= -0.0895 X(o=-0.09,f=0) USER MOD Single : A 58 SER OG : rot 45:sc= 0.14 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.24 K(o=-2.2,f=-3.5!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.8) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0956 USER MOD Single : A 93 ASN : amide:sc= -1.03 K(o=-1,f=-2.5) USER MOD Single : A 94 CYS SG : rot -111:sc= 0.403 USER MOD Single : A 95 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.514) USER MOD Single : A 97 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.15) USER MOD Single : A 100 SER OG : rot -1:sc= 0.329 USER MOD Single : A 101 CYS SG : rot 39:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.681 14.901 20.813 1.00 35.32 N ATOM 47 CA THR A 5 -17.848 13.531 21.283 1.00 63.03 C ATOM 48 C THR A 5 -17.783 12.541 20.126 1.00 71.40 C ATOM 49 O THR A 5 -17.637 12.933 18.969 1.00 71.02 O ATOM 50 CB THR A 5 -19.187 13.352 22.023 1.00 64.43 C ATOM 51 OG1 THR A 5 -20.044 14.470 21.765 1.00 34.41 O ATOM 52 CG2 THR A 5 -18.963 13.213 23.521 1.00 62.25 C ATOM 0 HA THR A 5 -17.029 13.331 21.974 1.00 63.03 H new ATOM 0 HB THR A 5 -19.660 12.441 21.656 1.00 64.43 H new ATOM 0 HG1 THR A 5 -19.554 15.147 21.254 1.00 34.41 H new ATOM 0 HG21 THR A 5 -19.923 13.088 24.022 1.00 62.25 H new ATOM 0 HG22 THR A 5 -18.336 12.343 23.716 1.00 62.25 H new ATOM 0 HG23 THR A 5 -18.470 14.108 23.900 1.00 62.25 H new ATOM 60 N ALA A 6 -17.894 11.255 20.447 1.00 41.44 N ATOM 61 CA ALA A 6 -17.851 10.209 19.433 1.00 5.25 C ATOM 62 C ALA A 6 -18.420 8.901 19.970 1.00 62.30 C ATOM 63 O ALA A 6 -18.568 8.725 21.179 1.00 72.35 O ATOM 64 CB ALA A 6 -16.424 10.006 18.945 1.00 12.12 C ATOM 0 H ALA A 6 -18.014 10.914 21.401 1.00 41.44 H new ATOM 0 HA ALA A 6 -18.469 10.525 18.593 1.00 5.25 H new ATOM 0 HB1 ALA A 6 -16.406 9.222 18.188 1.00 12.12 H new ATOM 0 HB2 ALA A 6 -16.051 10.935 18.514 1.00 12.12 H new ATOM 0 HB3 ALA A 6 -15.791 9.715 19.783 1.00 12.12 H new ATOM 70 N THR A 7 -18.740 7.982 19.063 1.00 44.44 N ATOM 71 CA THR A 7 -19.295 6.691 19.445 1.00 72.32 C ATOM 72 C THR A 7 -18.969 5.624 18.408 1.00 14.35 C ATOM 73 O THR A 7 -19.040 5.871 17.203 1.00 62.23 O ATOM 74 CB THR A 7 -20.824 6.767 19.623 1.00 73.20 C ATOM 75 OG1 THR A 7 -21.155 7.771 20.589 1.00 12.10 O ATOM 76 CG2 THR A 7 -21.384 5.424 20.068 1.00 72.12 C ATOM 0 H THR A 7 -18.624 8.110 18.058 1.00 44.44 H new ATOM 0 HA THR A 7 -18.838 6.420 20.397 1.00 72.32 H new ATOM 0 HB THR A 7 -21.267 7.028 18.662 1.00 73.20 H new ATOM 0 HG1 THR A 7 -22.128 7.814 20.695 1.00 12.10 H new ATOM 0 HG21 THR A 7 -22.465 5.502 20.187 1.00 72.12 H new ATOM 0 HG22 THR A 7 -21.155 4.668 19.317 1.00 72.12 H new ATOM 0 HG23 THR A 7 -20.934 5.139 21.019 1.00 72.12 H new ATOM 84 N PHE A 8 -18.610 4.435 18.881 1.00 30.33 N ATOM 85 CA PHE A 8 -18.272 3.328 17.994 1.00 10.34 C ATOM 86 C PHE A 8 -19.530 2.598 17.530 1.00 42.05 C ATOM 87 O PHE A 8 -20.450 2.367 18.314 1.00 2.22 O ATOM 88 CB PHE A 8 -17.331 2.349 18.699 1.00 10.10 C ATOM 89 CG PHE A 8 -17.039 1.114 17.896 1.00 64.42 C ATOM 90 CD1 PHE A 8 -16.234 1.177 16.771 1.00 11.40 C ATOM 91 CD2 PHE A 8 -17.573 -0.110 18.266 1.00 33.12 C ATOM 92 CE1 PHE A 8 -15.962 0.042 16.030 1.00 25.43 C ATOM 93 CE2 PHE A 8 -17.305 -1.249 17.529 1.00 61.14 C ATOM 94 CZ PHE A 8 -16.501 -1.173 16.409 1.00 74.22 C ATOM 0 H PHE A 8 -18.546 4.213 19.875 1.00 30.33 H new ATOM 0 HA PHE A 8 -17.768 3.738 17.119 1.00 10.34 H new ATOM 0 HB2 PHE A 8 -16.393 2.857 18.923 1.00 10.10 H new ATOM 0 HB3 PHE A 8 -17.771 2.057 19.652 1.00 10.10 H new ATOM 0 HD1 PHE A 8 -15.813 2.125 16.469 1.00 11.40 H new ATOM 0 HD2 PHE A 8 -18.205 -0.175 19.139 1.00 33.12 H new ATOM 0 HE1 PHE A 8 -15.330 0.105 15.157 1.00 25.43 H new ATOM 0 HE2 PHE A 8 -17.724 -2.198 17.829 1.00 61.14 H new ATOM 0 HZ PHE A 8 -16.294 -2.061 15.830 1.00 74.22 H new ATOM 104 N ALA A 9 -19.562 2.239 16.251 1.00 14.21 N ATOM 105 CA ALA A 9 -20.704 1.535 15.683 1.00 23.31 C ATOM 106 C ALA A 9 -20.257 0.499 14.657 1.00 54.04 C ATOM 107 O ALA A 9 -19.154 0.583 14.116 1.00 3.13 O ATOM 108 CB ALA A 9 -21.672 2.523 15.050 1.00 51.13 C ATOM 0 H ALA A 9 -18.809 2.425 15.588 1.00 14.21 H new ATOM 0 HA ALA A 9 -21.214 1.011 16.491 1.00 23.31 H new ATOM 0 HB1 ALA A 9 -22.520 1.983 14.630 1.00 51.13 H new ATOM 0 HB2 ALA A 9 -22.026 3.222 15.808 1.00 51.13 H new ATOM 0 HB3 ALA A 9 -21.164 3.073 14.258 1.00 51.13 H new ATOM 114 N LYS A 10 -21.118 -0.478 14.396 1.00 3.40 N ATOM 115 CA LYS A 10 -20.812 -1.530 13.434 1.00 62.42 C ATOM 116 C LYS A 10 -21.572 -1.312 12.129 1.00 32.25 C ATOM 117 O LYS A 10 -22.741 -0.928 12.136 1.00 1.00 O ATOM 118 CB LYS A 10 -21.163 -2.900 14.018 1.00 70.41 C ATOM 119 CG LYS A 10 -20.120 -3.968 13.736 1.00 44.32 C ATOM 120 CD LYS A 10 -20.374 -4.657 12.405 1.00 21.31 C ATOM 121 CE LYS A 10 -19.139 -5.399 11.917 1.00 72.33 C ATOM 122 NZ LYS A 10 -18.834 -6.585 12.765 1.00 51.41 N ATOM 0 H LYS A 10 -22.034 -0.563 14.837 1.00 3.40 H new ATOM 0 HA LYS A 10 -19.743 -1.495 13.222 1.00 62.42 H new ATOM 0 HB2 LYS A 10 -21.290 -2.804 15.096 1.00 70.41 H new ATOM 0 HB3 LYS A 10 -22.121 -3.224 13.612 1.00 70.41 H new ATOM 0 HG2 LYS A 10 -19.128 -3.517 13.730 1.00 44.32 H new ATOM 0 HG3 LYS A 10 -20.129 -4.707 14.537 1.00 44.32 H new ATOM 0 HD2 LYS A 10 -21.203 -5.357 12.509 1.00 21.31 H new ATOM 0 HD3 LYS A 10 -20.673 -3.917 11.662 1.00 21.31 H new ATOM 0 HE2 LYS A 10 -19.291 -5.719 10.886 1.00 72.33 H new ATOM 0 HE3 LYS A 10 -18.285 -4.722 11.918 1.00 72.33 H new ATOM 0 HZ1 LYS A 10 -18.158 -7.201 12.270 1.00 51.41 H new ATOM 0 HZ2 LYS A 10 -18.420 -6.270 13.666 1.00 51.41 H new ATOM 0 HZ3 LYS A 10 -19.710 -7.113 12.952 1.00 51.41 H new ATOM 136 N THR A 11 -20.899 -1.563 11.010 1.00 43.51 N ATOM 137 CA THR A 11 -21.511 -1.394 9.698 1.00 14.55 C ATOM 138 C THR A 11 -21.978 -2.731 9.132 1.00 72.04 C ATOM 139 O THR A 11 -23.169 -2.937 8.904 1.00 13.42 O ATOM 140 CB THR A 11 -20.533 -0.742 8.702 1.00 34.32 C ATOM 141 OG1 THR A 11 -19.696 0.200 9.382 1.00 43.11 O ATOM 142 CG2 THR A 11 -21.288 -0.043 7.581 1.00 53.20 C ATOM 0 H THR A 11 -19.931 -1.884 10.986 1.00 43.51 H new ATOM 0 HA THR A 11 -22.372 -0.739 9.833 1.00 14.55 H new ATOM 0 HB THR A 11 -19.915 -1.527 8.267 1.00 34.32 H new ATOM 0 HG1 THR A 11 -19.020 -0.280 9.904 1.00 43.11 H new ATOM 0 HG21 THR A 11 -20.577 0.410 6.890 1.00 53.20 H new ATOM 0 HG22 THR A 11 -21.900 -0.769 7.047 1.00 53.20 H new ATOM 0 HG23 THR A 11 -21.929 0.732 8.002 1.00 53.20 H new ATOM 150 N SER A 12 -21.031 -3.638 8.910 1.00 75.45 N ATOM 151 CA SER A 12 -21.345 -4.955 8.370 1.00 70.42 C ATOM 152 C SER A 12 -20.088 -5.813 8.265 1.00 71.11 C ATOM 153 O SER A 12 -19.008 -5.315 7.947 1.00 3.20 O ATOM 154 CB SER A 12 -22.002 -4.821 6.995 1.00 20.51 C ATOM 155 OG SER A 12 -21.080 -5.114 5.959 1.00 2.32 O ATOM 0 H SER A 12 -20.040 -3.484 9.096 1.00 75.45 H new ATOM 0 HA SER A 12 -22.041 -5.444 9.051 1.00 70.42 H new ATOM 0 HB2 SER A 12 -22.855 -5.496 6.929 1.00 20.51 H new ATOM 0 HB3 SER A 12 -22.386 -3.809 6.869 1.00 20.51 H new ATOM 0 HG SER A 12 -21.524 -5.023 5.090 1.00 2.32 H new ATOM 161 N ASP A 13 -20.238 -7.105 8.533 1.00 34.41 N ATOM 162 CA ASP A 13 -19.116 -8.035 8.468 1.00 62.41 C ATOM 163 C ASP A 13 -19.360 -9.107 7.411 1.00 33.33 C ATOM 164 O ASP A 13 -20.385 -9.788 7.429 1.00 12.31 O ATOM 165 CB ASP A 13 -18.888 -8.688 9.832 1.00 62.42 C ATOM 166 CG ASP A 13 -18.054 -9.951 9.737 1.00 41.24 C ATOM 167 OD1 ASP A 13 -18.604 -10.995 9.331 1.00 34.24 O ATOM 168 OD2 ASP A 13 -16.851 -9.894 10.070 1.00 75.02 O ATOM 0 H ASP A 13 -21.125 -7.533 8.797 1.00 34.41 H new ATOM 0 HA ASP A 13 -18.225 -7.472 8.190 1.00 62.41 H new ATOM 0 HB2 ASP A 13 -18.392 -7.978 10.493 1.00 62.42 H new ATOM 0 HB3 ASP A 13 -19.851 -8.925 10.284 1.00 62.42 H new ATOM 173 N TRP A 14 -18.411 -9.250 6.492 1.00 60.14 N ATOM 174 CA TRP A 14 -18.523 -10.239 5.427 1.00 4.34 C ATOM 175 C TRP A 14 -17.485 -11.342 5.595 1.00 33.22 C ATOM 176 O TRP A 14 -16.296 -11.130 5.360 1.00 43.25 O ATOM 177 CB TRP A 14 -18.357 -9.569 4.061 1.00 55.21 C ATOM 178 CG TRP A 14 -17.142 -8.695 3.973 1.00 52.24 C ATOM 179 CD1 TRP A 14 -15.945 -9.011 3.396 1.00 22.15 C ATOM 180 CD2 TRP A 14 -17.006 -7.363 4.480 1.00 23.13 C ATOM 181 NE1 TRP A 14 -15.074 -7.955 3.513 1.00 60.33 N ATOM 182 CE2 TRP A 14 -15.700 -6.932 4.173 1.00 65.15 C ATOM 183 CE3 TRP A 14 -17.861 -6.491 5.161 1.00 33.51 C ATOM 184 CZ2 TRP A 14 -15.232 -5.669 4.527 1.00 73.11 C ATOM 185 CZ3 TRP A 14 -17.394 -5.239 5.511 1.00 31.43 C ATOM 186 CH2 TRP A 14 -16.090 -4.837 5.193 1.00 30.41 C ATOM 0 H TRP A 14 -17.556 -8.694 6.463 1.00 60.14 H new ATOM 0 HA TRP A 14 -19.514 -10.688 5.486 1.00 4.34 H new ATOM 0 HB2 TRP A 14 -18.299 -10.339 3.291 1.00 55.21 H new ATOM 0 HB3 TRP A 14 -19.243 -8.971 3.847 1.00 55.21 H new ATOM 0 HD1 TRP A 14 -15.717 -9.952 2.918 1.00 22.15 H new ATOM 0 HE1 TRP A 14 -14.116 -7.936 3.164 1.00 60.33 H new ATOM 0 HE3 TRP A 14 -18.868 -6.791 5.409 1.00 33.51 H new ATOM 0 HZ2 TRP A 14 -14.227 -5.357 4.284 1.00 73.11 H new ATOM 0 HZ3 TRP A 14 -18.045 -4.558 6.039 1.00 31.43 H new ATOM 0 HH2 TRP A 14 -15.756 -3.851 5.479 1.00 30.41 H new ATOM 197 N GLY A 15 -17.942 -12.522 6.004 1.00 35.13 N ATOM 198 CA GLY A 15 -17.038 -13.640 6.197 1.00 34.20 C ATOM 199 C GLY A 15 -16.166 -13.476 7.427 1.00 33.25 C ATOM 200 O GLY A 15 -16.564 -13.843 8.533 1.00 64.51 O ATOM 0 H GLY A 15 -18.922 -12.723 6.205 1.00 35.13 H new ATOM 0 HA2 GLY A 15 -17.616 -14.560 6.286 1.00 34.20 H new ATOM 0 HA3 GLY A 15 -16.403 -13.746 5.317 1.00 34.20 H new ATOM 204 N THR A 16 -14.972 -12.926 7.235 1.00 42.13 N ATOM 205 CA THR A 16 -14.041 -12.716 8.336 1.00 74.04 C ATOM 206 C THR A 16 -13.747 -11.233 8.533 1.00 35.11 C ATOM 207 O THR A 16 -13.254 -10.822 9.583 1.00 62.24 O ATOM 208 CB THR A 16 -12.715 -13.464 8.100 1.00 61.34 C ATOM 209 OG1 THR A 16 -11.805 -13.197 9.174 1.00 41.40 O ATOM 210 CG2 THR A 16 -12.086 -13.048 6.780 1.00 43.01 C ATOM 0 H THR A 16 -14.626 -12.618 6.326 1.00 42.13 H new ATOM 0 HA THR A 16 -14.518 -13.111 9.233 1.00 74.04 H new ATOM 0 HB THR A 16 -12.928 -14.532 8.061 1.00 61.34 H new ATOM 0 HG1 THR A 16 -12.047 -12.351 9.605 1.00 41.40 H new ATOM 0 HG21 THR A 16 -11.151 -13.590 6.636 1.00 43.01 H new ATOM 0 HG22 THR A 16 -12.769 -13.279 5.963 1.00 43.01 H new ATOM 0 HG23 THR A 16 -11.886 -11.977 6.794 1.00 43.01 H new ATOM 218 N GLY A 17 -14.052 -10.433 7.516 1.00 12.04 N ATOM 219 CA GLY A 17 -13.814 -9.005 7.598 1.00 53.25 C ATOM 220 C GLY A 17 -14.980 -8.256 8.212 1.00 2.13 C ATOM 221 O GLY A 17 -16.140 -8.575 7.947 1.00 32.15 O ATOM 0 H GLY A 17 -14.460 -10.749 6.636 1.00 12.04 H new ATOM 0 HA2 GLY A 17 -12.917 -8.823 8.190 1.00 53.25 H new ATOM 0 HA3 GLY A 17 -13.621 -8.614 6.599 1.00 53.25 H new ATOM 225 N PHE A 18 -14.675 -7.259 9.034 1.00 52.14 N ATOM 226 CA PHE A 18 -15.707 -6.465 9.690 1.00 64.14 C ATOM 227 C PHE A 18 -15.624 -5.002 9.260 1.00 34.52 C ATOM 228 O PHE A 18 -14.546 -4.496 8.950 1.00 71.54 O ATOM 229 CB PHE A 18 -15.573 -6.569 11.210 1.00 35.40 C ATOM 230 CG PHE A 18 -14.516 -5.668 11.783 1.00 42.32 C ATOM 231 CD1 PHE A 18 -13.209 -6.106 11.911 1.00 74.13 C ATOM 232 CD2 PHE A 18 -14.832 -4.382 12.191 1.00 51.13 C ATOM 233 CE1 PHE A 18 -12.235 -5.278 12.438 1.00 31.43 C ATOM 234 CE2 PHE A 18 -13.863 -3.549 12.718 1.00 35.31 C ATOM 235 CZ PHE A 18 -12.562 -3.998 12.841 1.00 13.10 C ATOM 0 H PHE A 18 -13.721 -6.981 9.262 1.00 52.14 H new ATOM 0 HA PHE A 18 -16.678 -6.860 9.390 1.00 64.14 H new ATOM 0 HB2 PHE A 18 -16.532 -6.328 11.668 1.00 35.40 H new ATOM 0 HB3 PHE A 18 -15.343 -7.601 11.476 1.00 35.40 H new ATOM 0 HD1 PHE A 18 -12.947 -7.105 11.596 1.00 74.13 H new ATOM 0 HD2 PHE A 18 -15.847 -4.026 12.096 1.00 51.13 H new ATOM 0 HE1 PHE A 18 -11.219 -5.632 12.534 1.00 31.43 H new ATOM 0 HE2 PHE A 18 -14.122 -2.549 13.033 1.00 35.31 H new ATOM 0 HZ PHE A 18 -11.802 -3.349 13.251 1.00 13.10 H new ATOM 245 N GLY A 19 -16.771 -4.330 9.244 1.00 32.30 N ATOM 246 CA GLY A 19 -16.807 -2.935 8.850 1.00 51.23 C ATOM 247 C GLY A 19 -17.033 -2.006 10.027 1.00 33.11 C ATOM 248 O GLY A 19 -18.141 -1.920 10.554 1.00 64.24 O ATOM 0 H GLY A 19 -17.676 -4.727 9.497 1.00 32.30 H new ATOM 0 HA2 GLY A 19 -15.869 -2.675 8.360 1.00 51.23 H new ATOM 0 HA3 GLY A 19 -17.600 -2.788 8.117 1.00 51.23 H new ATOM 252 N GLY A 20 -15.979 -1.309 10.441 1.00 33.03 N ATOM 253 CA GLY A 20 -16.088 -0.393 11.561 1.00 2.12 C ATOM 254 C GLY A 20 -16.650 0.955 11.154 1.00 51.02 C ATOM 255 O GLY A 20 -16.286 1.497 10.111 1.00 52.35 O ATOM 0 H GLY A 20 -15.051 -1.363 10.020 1.00 33.03 H new ATOM 0 HA2 GLY A 20 -16.727 -0.834 12.326 1.00 2.12 H new ATOM 0 HA3 GLY A 20 -15.104 -0.253 12.009 1.00 2.12 H new ATOM 259 N SER A 21 -17.540 1.497 11.980 1.00 14.04 N ATOM 260 CA SER A 21 -18.157 2.787 11.697 1.00 71.35 C ATOM 261 C SER A 21 -17.940 3.758 12.855 1.00 30.50 C ATOM 262 O SER A 21 -18.634 3.696 13.870 1.00 31.45 O ATOM 263 CB SER A 21 -19.655 2.614 11.436 1.00 40.41 C ATOM 264 OG SER A 21 -19.962 2.836 10.070 1.00 62.23 O ATOM 0 H SER A 21 -17.849 1.063 12.850 1.00 14.04 H new ATOM 0 HA SER A 21 -17.686 3.200 10.805 1.00 71.35 H new ATOM 0 HB2 SER A 21 -19.964 1.609 11.723 1.00 40.41 H new ATOM 0 HB3 SER A 21 -20.219 3.310 12.057 1.00 40.41 H new ATOM 0 HG SER A 21 -19.927 1.985 9.584 1.00 62.23 H new ATOM 270 N TRP A 22 -16.973 4.653 12.694 1.00 41.33 N ATOM 271 CA TRP A 22 -16.664 5.637 13.725 1.00 43.25 C ATOM 272 C TRP A 22 -17.479 6.910 13.525 1.00 71.12 C ATOM 273 O TRP A 22 -17.560 7.439 12.417 1.00 43.43 O ATOM 274 CB TRP A 22 -15.170 5.966 13.714 1.00 52.31 C ATOM 275 CG TRP A 22 -14.311 4.846 14.216 1.00 62.22 C ATOM 276 CD1 TRP A 22 -13.506 4.033 13.471 1.00 74.44 C ATOM 277 CD2 TRP A 22 -14.174 4.414 15.575 1.00 12.32 C ATOM 278 NE1 TRP A 22 -12.876 3.122 14.284 1.00 32.24 N ATOM 279 CE2 TRP A 22 -13.269 3.335 15.580 1.00 12.42 C ATOM 280 CE3 TRP A 22 -14.727 4.834 16.787 1.00 51.13 C ATOM 281 CZ2 TRP A 22 -12.905 2.673 16.750 1.00 25.04 C ATOM 282 CZ3 TRP A 22 -14.366 4.177 17.948 1.00 14.35 C ATOM 283 CH2 TRP A 22 -13.462 3.106 17.922 1.00 22.24 C ATOM 0 H TRP A 22 -16.389 4.718 11.860 1.00 41.33 H new ATOM 0 HA TRP A 22 -16.927 5.208 14.692 1.00 43.25 H new ATOM 0 HB2 TRP A 22 -14.868 6.218 12.697 1.00 52.31 H new ATOM 0 HB3 TRP A 22 -14.996 6.851 14.327 1.00 52.31 H new ATOM 0 HD1 TRP A 22 -13.383 4.097 12.400 1.00 74.44 H new ATOM 0 HE1 TRP A 22 -12.222 2.404 13.974 1.00 32.24 H new ATOM 0 HE3 TRP A 22 -15.425 5.658 16.816 1.00 51.13 H new ATOM 0 HZ2 TRP A 22 -12.208 1.848 16.733 1.00 25.04 H new ATOM 0 HZ3 TRP A 22 -14.787 4.494 18.891 1.00 14.35 H new ATOM 0 HH2 TRP A 22 -13.200 2.613 18.846 1.00 22.24 H new ATOM 294 N THR A 23 -18.082 7.398 14.605 1.00 4.14 N ATOM 295 CA THR A 23 -18.892 8.608 14.547 1.00 40.12 C ATOM 296 C THR A 23 -18.214 9.759 15.282 1.00 23.23 C ATOM 297 O THR A 23 -17.902 9.652 16.468 1.00 64.35 O ATOM 298 CB THR A 23 -20.290 8.378 15.152 1.00 72.45 C ATOM 299 OG1 THR A 23 -20.931 7.277 14.500 1.00 64.33 O ATOM 300 CG2 THR A 23 -21.150 9.626 15.018 1.00 54.14 C ATOM 0 H THR A 23 -18.024 6.973 15.531 1.00 4.14 H new ATOM 0 HA THR A 23 -18.999 8.867 13.494 1.00 40.12 H new ATOM 0 HB THR A 23 -20.170 8.151 16.211 1.00 72.45 H new ATOM 0 HG1 THR A 23 -21.818 7.136 14.892 1.00 64.33 H new ATOM 0 HG21 THR A 23 -22.132 9.439 15.452 1.00 54.14 H new ATOM 0 HG22 THR A 23 -20.673 10.454 15.542 1.00 54.14 H new ATOM 0 HG23 THR A 23 -21.262 9.880 13.964 1.00 54.14 H new ATOM 308 N VAL A 24 -17.990 10.859 14.571 1.00 53.31 N ATOM 309 CA VAL A 24 -17.350 12.031 15.158 1.00 4.15 C ATOM 310 C VAL A 24 -18.249 13.257 15.053 1.00 0.42 C ATOM 311 O VAL A 24 -18.792 13.554 13.988 1.00 14.22 O ATOM 312 CB VAL A 24 -16.003 12.335 14.476 1.00 14.25 C ATOM 313 CG1 VAL A 24 -15.261 13.432 15.224 1.00 33.12 C ATOM 314 CG2 VAL A 24 -15.156 11.075 14.384 1.00 3.24 C ATOM 0 H VAL A 24 -18.242 10.964 13.588 1.00 53.31 H new ATOM 0 HA VAL A 24 -17.173 11.803 16.209 1.00 4.15 H new ATOM 0 HB VAL A 24 -16.200 12.688 13.464 1.00 14.25 H new ATOM 0 HG11 VAL A 24 -14.312 13.633 14.727 1.00 33.12 H new ATOM 0 HG12 VAL A 24 -15.865 14.339 15.233 1.00 33.12 H new ATOM 0 HG13 VAL A 24 -15.074 13.111 16.249 1.00 33.12 H new ATOM 0 HG21 VAL A 24 -14.208 11.308 13.899 1.00 3.24 H new ATOM 0 HG22 VAL A 24 -14.966 10.690 15.386 1.00 3.24 H new ATOM 0 HG23 VAL A 24 -15.686 10.322 13.801 1.00 3.24 H new ATOM 324 N LYS A 25 -18.402 13.969 16.164 1.00 24.02 N ATOM 325 CA LYS A 25 -19.234 15.166 16.199 1.00 3.43 C ATOM 326 C LYS A 25 -18.603 16.242 17.075 1.00 50.02 C ATOM 327 O LYS A 25 -18.265 15.994 18.231 1.00 71.05 O ATOM 328 CB LYS A 25 -20.633 14.825 16.718 1.00 61.22 C ATOM 329 CG LYS A 25 -21.655 15.923 16.480 1.00 14.13 C ATOM 330 CD LYS A 25 -22.180 16.490 17.787 1.00 23.25 C ATOM 331 CE LYS A 25 -23.217 15.571 18.416 1.00 63.24 C ATOM 332 NZ LYS A 25 -22.887 15.249 19.832 1.00 41.31 N ATOM 0 H LYS A 25 -17.960 13.737 17.054 1.00 24.02 H new ATOM 0 HA LYS A 25 -19.315 15.552 15.183 1.00 3.43 H new ATOM 0 HB2 LYS A 25 -20.977 13.910 16.236 1.00 61.22 H new ATOM 0 HB3 LYS A 25 -20.575 14.620 17.787 1.00 61.22 H new ATOM 0 HG2 LYS A 25 -21.202 16.721 15.892 1.00 14.13 H new ATOM 0 HG3 LYS A 25 -22.485 15.528 15.895 1.00 14.13 H new ATOM 0 HD2 LYS A 25 -21.352 16.635 18.481 1.00 23.25 H new ATOM 0 HD3 LYS A 25 -22.622 17.470 17.608 1.00 23.25 H new ATOM 0 HE2 LYS A 25 -24.197 16.045 18.370 1.00 63.24 H new ATOM 0 HE3 LYS A 25 -23.282 14.648 17.839 1.00 63.24 H new ATOM 0 HZ1 LYS A 25 -23.617 14.621 20.224 1.00 41.31 H new ATOM 0 HZ2 LYS A 25 -21.963 14.774 19.874 1.00 41.31 H new ATOM 0 HZ3 LYS A 25 -22.850 16.127 20.388 1.00 41.31 H new ATOM 346 N ASN A 26 -18.447 17.438 16.516 1.00 44.11 N ATOM 347 CA ASN A 26 -17.857 18.553 17.249 1.00 2.53 C ATOM 348 C ASN A 26 -18.842 19.713 17.360 1.00 22.03 C ATOM 349 O ASN A 26 -19.497 20.083 16.385 1.00 22.32 O ATOM 350 CB ASN A 26 -16.575 19.023 16.557 1.00 31.04 C ATOM 351 CG ASN A 26 -15.713 17.865 16.092 1.00 13.41 C ATOM 352 OD1 ASN A 26 -16.068 17.147 15.157 1.00 71.13 O ATOM 353 ND2 ASN A 26 -14.571 17.680 16.744 1.00 30.31 N ATOM 0 H ASN A 26 -18.721 17.660 15.559 1.00 44.11 H new ATOM 0 HA ASN A 26 -17.615 18.208 18.254 1.00 2.53 H new ATOM 0 HB2 ASN A 26 -16.834 19.646 15.701 1.00 31.04 H new ATOM 0 HB3 ASN A 26 -16.002 19.647 17.243 1.00 31.04 H new ATOM 0 HD21 ASN A 26 -13.948 16.918 16.476 1.00 30.31 H new ATOM 0 HD22 ASN A 26 -14.317 18.300 17.513 1.00 30.31 H new ATOM 360 N THR A 27 -18.941 20.284 18.556 1.00 43.42 N ATOM 361 CA THR A 27 -19.846 21.402 18.797 1.00 41.10 C ATOM 362 C THR A 27 -19.566 22.055 20.145 1.00 14.52 C ATOM 363 O THR A 27 -19.285 21.373 21.130 1.00 64.45 O ATOM 364 CB THR A 27 -21.318 20.952 18.753 1.00 0.04 C ATOM 365 OG1 THR A 27 -22.181 22.087 18.886 1.00 24.34 O ATOM 366 CG2 THR A 27 -21.611 19.952 19.861 1.00 21.22 C ATOM 0 H THR A 27 -18.406 19.991 19.373 1.00 43.42 H new ATOM 0 HA THR A 27 -19.672 22.127 18.002 1.00 41.10 H new ATOM 0 HB THR A 27 -21.499 20.469 17.793 1.00 0.04 H new ATOM 0 HG1 THR A 27 -23.115 21.793 18.855 1.00 24.34 H new ATOM 0 HG21 THR A 27 -22.657 19.648 19.810 1.00 21.22 H new ATOM 0 HG22 THR A 27 -20.973 19.077 19.739 1.00 21.22 H new ATOM 0 HG23 THR A 27 -21.414 20.413 20.829 1.00 21.22 H new ATOM 374 N GLY A 28 -19.645 23.382 20.182 1.00 53.30 N ATOM 375 CA GLY A 28 -19.397 24.106 21.416 1.00 60.01 C ATOM 376 C GLY A 28 -18.107 24.899 21.374 1.00 14.33 C ATOM 377 O GLY A 28 -18.118 26.126 21.484 1.00 25.13 O ATOM 0 H GLY A 28 -19.876 23.968 19.380 1.00 53.30 H new ATOM 0 HA2 GLY A 28 -20.229 24.782 21.610 1.00 60.01 H new ATOM 0 HA3 GLY A 28 -19.359 23.401 22.246 1.00 60.01 H new ATOM 381 N THR A 29 -16.988 24.199 21.216 1.00 51.41 N ATOM 382 CA THR A 29 -15.682 24.845 21.162 1.00 20.33 C ATOM 383 C THR A 29 -15.602 25.828 20.000 1.00 64.11 C ATOM 384 O THR A 29 -16.445 25.815 19.103 1.00 44.42 O ATOM 385 CB THR A 29 -14.549 23.811 21.024 1.00 20.33 C ATOM 386 OG1 THR A 29 -13.279 24.472 21.038 1.00 72.14 O ATOM 387 CG2 THR A 29 -14.697 23.014 19.736 1.00 51.20 C ATOM 0 H THR A 29 -16.960 23.184 21.123 1.00 51.41 H new ATOM 0 HA THR A 29 -15.558 25.386 22.100 1.00 20.33 H new ATOM 0 HB THR A 29 -14.610 23.123 21.867 1.00 20.33 H new ATOM 0 HG1 THR A 29 -12.564 23.808 20.952 1.00 72.14 H new ATOM 0 HG21 THR A 29 -13.885 22.290 19.661 1.00 51.20 H new ATOM 0 HG22 THR A 29 -15.652 22.489 19.741 1.00 51.20 H new ATOM 0 HG23 THR A 29 -14.659 23.691 18.883 1.00 51.20 H new ATOM 395 N THR A 30 -14.582 26.681 20.021 1.00 64.20 N ATOM 396 CA THR A 30 -14.393 27.671 18.970 1.00 3.51 C ATOM 397 C THR A 30 -14.222 27.004 17.609 1.00 61.32 C ATOM 398 O THR A 30 -14.379 25.791 17.479 1.00 22.14 O ATOM 399 CB THR A 30 -13.168 28.561 19.250 1.00 54.41 C ATOM 400 OG1 THR A 30 -11.964 27.809 19.063 1.00 53.13 O ATOM 401 CG2 THR A 30 -13.212 29.113 20.667 1.00 62.14 C ATOM 0 H THR A 30 -13.874 26.705 20.755 1.00 64.20 H new ATOM 0 HA THR A 30 -15.289 28.292 18.957 1.00 3.51 H new ATOM 0 HB THR A 30 -13.187 29.397 18.551 1.00 54.41 H new ATOM 0 HG1 THR A 30 -11.189 28.382 19.241 1.00 53.13 H new ATOM 0 HG21 THR A 30 -12.336 29.738 20.841 1.00 62.14 H new ATOM 0 HG22 THR A 30 -14.115 29.709 20.797 1.00 62.14 H new ATOM 0 HG23 THR A 30 -13.216 28.288 21.379 1.00 62.14 H new ATOM 409 N SER A 31 -13.897 27.805 16.599 1.00 70.23 N ATOM 410 CA SER A 31 -13.708 27.291 15.248 1.00 54.13 C ATOM 411 C SER A 31 -12.740 26.112 15.246 1.00 15.03 C ATOM 412 O SER A 31 -11.628 26.205 15.767 1.00 34.41 O ATOM 413 CB SER A 31 -13.183 28.396 14.328 1.00 62.20 C ATOM 414 OG SER A 31 -11.798 28.238 14.079 1.00 51.41 O ATOM 0 H SER A 31 -13.759 28.811 16.691 1.00 70.23 H new ATOM 0 HA SER A 31 -14.674 26.947 14.878 1.00 54.13 H new ATOM 0 HB2 SER A 31 -13.729 28.378 13.385 1.00 62.20 H new ATOM 0 HB3 SER A 31 -13.365 29.369 14.783 1.00 62.20 H new ATOM 0 HG SER A 31 -11.388 27.740 14.817 1.00 51.41 H new ATOM 420 N LEU A 32 -13.171 25.002 14.657 1.00 32.45 N ATOM 421 CA LEU A 32 -12.344 23.802 14.586 1.00 31.33 C ATOM 422 C LEU A 32 -11.490 23.803 13.324 1.00 14.44 C ATOM 423 O LEU A 32 -11.502 24.764 12.554 1.00 53.12 O ATOM 424 CB LEU A 32 -13.223 22.550 14.620 1.00 62.13 C ATOM 425 CG LEU A 32 -12.970 21.583 15.778 1.00 42.33 C ATOM 426 CD1 LEU A 32 -14.082 21.684 16.810 1.00 42.42 C ATOM 427 CD2 LEU A 32 -12.845 20.157 15.264 1.00 2.12 C ATOM 0 H LEU A 32 -14.089 24.908 14.222 1.00 32.45 H new ATOM 0 HA LEU A 32 -11.681 23.796 15.451 1.00 31.33 H new ATOM 0 HB2 LEU A 32 -14.266 22.864 14.656 1.00 62.13 H new ATOM 0 HB3 LEU A 32 -13.086 22.008 13.684 1.00 62.13 H new ATOM 0 HG LEU A 32 -12.031 21.859 16.258 1.00 42.33 H new ATOM 0 HD11 LEU A 32 -13.885 20.989 17.626 1.00 42.42 H new ATOM 0 HD12 LEU A 32 -14.124 22.701 17.201 1.00 42.42 H new ATOM 0 HD13 LEU A 32 -15.035 21.435 16.343 1.00 42.42 H new ATOM 0 HD21 LEU A 32 -12.665 19.483 16.101 1.00 2.12 H new ATOM 0 HD22 LEU A 32 -13.767 19.870 14.759 1.00 2.12 H new ATOM 0 HD23 LEU A 32 -12.013 20.095 14.563 1.00 2.12 H new ATOM 439 N SER A 33 -10.750 22.719 13.114 1.00 3.43 N ATOM 440 CA SER A 33 -9.889 22.595 11.944 1.00 72.35 C ATOM 441 C SER A 33 -9.924 21.173 11.391 1.00 41.22 C ATOM 442 O SER A 33 -10.175 20.964 10.204 1.00 43.02 O ATOM 443 CB SER A 33 -8.451 22.980 12.301 1.00 2.41 C ATOM 444 OG SER A 33 -8.213 24.353 12.048 1.00 43.14 O ATOM 0 H SER A 33 -10.730 21.914 13.739 1.00 3.43 H new ATOM 0 HA SER A 33 -10.261 23.274 11.176 1.00 72.35 H new ATOM 0 HB2 SER A 33 -8.264 22.763 13.353 1.00 2.41 H new ATOM 0 HB3 SER A 33 -7.754 22.374 11.721 1.00 2.41 H new ATOM 0 HG SER A 33 -8.092 24.492 11.085 1.00 43.14 H new ATOM 450 N SER A 34 -9.671 20.200 12.260 1.00 44.11 N ATOM 451 CA SER A 34 -9.670 18.799 11.859 1.00 10.35 C ATOM 452 C SER A 34 -10.006 17.895 13.042 1.00 4.33 C ATOM 453 O SER A 34 -10.136 18.359 14.174 1.00 5.11 O ATOM 454 CB SER A 34 -8.308 18.413 11.279 1.00 40.31 C ATOM 455 OG SER A 34 -7.482 17.819 12.267 1.00 24.41 O ATOM 0 H SER A 34 -9.464 20.357 13.246 1.00 44.11 H new ATOM 0 HA SER A 34 -10.434 18.666 11.093 1.00 10.35 H new ATOM 0 HB2 SER A 34 -8.446 17.718 10.450 1.00 40.31 H new ATOM 0 HB3 SER A 34 -7.817 19.298 10.875 1.00 40.31 H new ATOM 0 HG SER A 34 -6.618 17.580 11.871 1.00 24.41 H new ATOM 461 N TRP A 35 -10.145 16.603 12.769 1.00 71.31 N ATOM 462 CA TRP A 35 -10.466 15.632 13.810 1.00 43.01 C ATOM 463 C TRP A 35 -9.545 14.420 13.727 1.00 73.04 C ATOM 464 O TRP A 35 -9.412 13.799 12.673 1.00 12.51 O ATOM 465 CB TRP A 35 -11.925 15.188 13.689 1.00 61.25 C ATOM 466 CG TRP A 35 -12.329 14.851 12.286 1.00 72.20 C ATOM 467 CD1 TRP A 35 -12.799 15.715 11.338 1.00 74.21 C ATOM 468 CD2 TRP A 35 -12.301 13.557 11.674 1.00 52.42 C ATOM 469 NE1 TRP A 35 -13.064 15.036 10.173 1.00 24.32 N ATOM 470 CE2 TRP A 35 -12.767 13.711 10.353 1.00 41.42 C ATOM 471 CE3 TRP A 35 -11.925 12.284 12.111 1.00 65.22 C ATOM 472 CZ2 TRP A 35 -12.867 12.640 9.470 1.00 34.55 C ATOM 473 CZ3 TRP A 35 -12.026 11.222 11.234 1.00 21.22 C ATOM 474 CH2 TRP A 35 -12.494 11.404 9.926 1.00 52.42 C ATOM 0 H TRP A 35 -10.041 16.203 11.837 1.00 71.31 H new ATOM 0 HA TRP A 35 -10.318 16.112 14.778 1.00 43.01 H new ATOM 0 HB2 TRP A 35 -12.086 14.318 14.325 1.00 61.25 H new ATOM 0 HB3 TRP A 35 -12.571 15.981 14.065 1.00 61.25 H new ATOM 0 HD1 TRP A 35 -12.941 16.776 11.483 1.00 74.21 H new ATOM 0 HE1 TRP A 35 -13.424 15.451 9.314 1.00 24.32 H new ATOM 0 HE3 TRP A 35 -11.562 12.133 13.117 1.00 65.22 H new ATOM 0 HZ2 TRP A 35 -13.226 12.779 8.461 1.00 34.55 H new ATOM 0 HZ3 TRP A 35 -11.739 10.234 11.562 1.00 21.22 H new ATOM 0 HH2 TRP A 35 -12.562 10.553 9.265 1.00 52.42 H new ATOM 485 N THR A 36 -8.910 14.088 14.847 1.00 42.24 N ATOM 486 CA THR A 36 -8.000 12.951 14.901 1.00 64.11 C ATOM 487 C THR A 36 -8.491 11.901 15.892 1.00 11.13 C ATOM 488 O THR A 36 -8.394 12.083 17.105 1.00 51.45 O ATOM 489 CB THR A 36 -6.577 13.388 15.297 1.00 51.04 C ATOM 490 OG1 THR A 36 -6.421 14.796 15.088 1.00 40.33 O ATOM 491 CG2 THR A 36 -5.534 12.631 14.489 1.00 62.03 C ATOM 0 H THR A 36 -9.009 14.591 15.729 1.00 42.24 H new ATOM 0 HA THR A 36 -7.974 12.519 13.900 1.00 64.11 H new ATOM 0 HB THR A 36 -6.431 13.160 16.353 1.00 51.04 H new ATOM 0 HG1 THR A 36 -5.514 15.066 15.344 1.00 40.33 H new ATOM 0 HG21 THR A 36 -4.537 12.956 14.786 1.00 62.03 H new ATOM 0 HG22 THR A 36 -5.637 11.562 14.673 1.00 62.03 H new ATOM 0 HG23 THR A 36 -5.680 12.832 13.428 1.00 62.03 H new ATOM 499 N VAL A 37 -9.017 10.798 15.366 1.00 42.53 N ATOM 500 CA VAL A 37 -9.521 9.718 16.204 1.00 61.31 C ATOM 501 C VAL A 37 -8.562 8.533 16.209 1.00 1.14 C ATOM 502 O VAL A 37 -8.270 7.955 15.162 1.00 12.55 O ATOM 503 CB VAL A 37 -10.908 9.241 15.732 1.00 51.43 C ATOM 504 CG1 VAL A 37 -10.869 8.864 14.259 1.00 32.13 C ATOM 505 CG2 VAL A 37 -11.385 8.070 16.578 1.00 61.02 C ATOM 0 H VAL A 37 -9.105 10.630 14.364 1.00 42.53 H new ATOM 0 HA VAL A 37 -9.607 10.116 17.215 1.00 61.31 H new ATOM 0 HB VAL A 37 -11.616 10.060 15.855 1.00 51.43 H new ATOM 0 HG11 VAL A 37 -11.857 8.529 13.943 1.00 32.13 H new ATOM 0 HG12 VAL A 37 -10.574 9.732 13.669 1.00 32.13 H new ATOM 0 HG13 VAL A 37 -10.148 8.060 14.108 1.00 32.13 H new ATOM 0 HG21 VAL A 37 -12.366 7.746 16.231 1.00 61.02 H new ATOM 0 HG22 VAL A 37 -10.678 7.245 16.489 1.00 61.02 H new ATOM 0 HG23 VAL A 37 -11.453 8.379 17.621 1.00 61.02 H new ATOM 515 N GLU A 38 -8.077 8.175 17.393 1.00 12.23 N ATOM 516 CA GLU A 38 -7.150 7.057 17.532 1.00 42.43 C ATOM 517 C GLU A 38 -7.565 6.147 18.684 1.00 11.13 C ATOM 518 O GLU A 38 -8.262 6.572 19.605 1.00 0.24 O ATOM 519 CB GLU A 38 -5.727 7.573 17.762 1.00 33.23 C ATOM 520 CG GLU A 38 -5.648 8.718 18.758 1.00 34.54 C ATOM 521 CD GLU A 38 -5.570 10.073 18.083 1.00 34.12 C ATOM 522 OE1 GLU A 38 -6.228 10.253 17.037 1.00 51.52 O ATOM 523 OE2 GLU A 38 -4.852 10.954 18.603 1.00 10.24 O ATOM 0 H GLU A 38 -8.310 8.642 18.269 1.00 12.23 H new ATOM 0 HA GLU A 38 -7.175 6.479 16.608 1.00 42.43 H new ATOM 0 HB2 GLU A 38 -5.104 6.751 18.116 1.00 33.23 H new ATOM 0 HB3 GLU A 38 -5.310 7.901 16.810 1.00 33.23 H new ATOM 0 HG2 GLU A 38 -6.522 8.690 19.408 1.00 34.54 H new ATOM 0 HG3 GLU A 38 -4.773 8.582 19.394 1.00 34.54 H new ATOM 530 N TRP A 39 -7.132 4.893 18.623 1.00 25.15 N ATOM 531 CA TRP A 39 -7.460 3.921 19.660 1.00 23.33 C ATOM 532 C TRP A 39 -6.362 2.869 19.787 1.00 4.11 C ATOM 533 O TRP A 39 -5.471 2.785 18.942 1.00 34.41 O ATOM 534 CB TRP A 39 -8.797 3.245 19.351 1.00 62.51 C ATOM 535 CG TRP A 39 -9.450 3.763 18.106 1.00 42.02 C ATOM 536 CD1 TRP A 39 -10.524 4.605 18.032 1.00 34.05 C ATOM 537 CD2 TRP A 39 -9.074 3.471 16.756 1.00 0.11 C ATOM 538 NE1 TRP A 39 -10.836 4.854 16.717 1.00 62.44 N ATOM 539 CE2 TRP A 39 -9.961 4.171 15.915 1.00 20.25 C ATOM 540 CE3 TRP A 39 -8.073 2.688 16.175 1.00 13.40 C ATOM 541 CZ2 TRP A 39 -9.877 4.109 14.527 1.00 14.13 C ATOM 542 CZ3 TRP A 39 -7.989 2.628 14.797 1.00 74.03 C ATOM 543 CH2 TRP A 39 -8.886 3.335 13.985 1.00 31.25 C ATOM 0 H TRP A 39 -6.554 4.525 17.867 1.00 25.15 H new ATOM 0 HA TRP A 39 -7.540 4.452 20.608 1.00 23.33 H new ATOM 0 HB2 TRP A 39 -8.638 2.171 19.250 1.00 62.51 H new ATOM 0 HB3 TRP A 39 -9.473 3.389 20.194 1.00 62.51 H new ATOM 0 HD1 TRP A 39 -11.050 5.014 18.882 1.00 34.05 H new ATOM 0 HE1 TRP A 39 -11.596 5.451 16.391 1.00 62.44 H new ATOM 0 HE3 TRP A 39 -7.377 2.139 16.792 1.00 13.40 H new ATOM 0 HZ2 TRP A 39 -10.569 4.652 13.900 1.00 14.13 H new ATOM 0 HZ3 TRP A 39 -7.219 2.026 14.338 1.00 74.03 H new ATOM 0 HH2 TRP A 39 -8.794 3.268 12.911 1.00 31.25 H new ATOM 554 N ASP A 40 -6.434 2.070 20.846 1.00 41.34 N ATOM 555 CA ASP A 40 -5.446 1.024 21.082 1.00 64.24 C ATOM 556 C ASP A 40 -5.963 -0.328 20.601 1.00 21.44 C ATOM 557 O ASP A 40 -7.100 -0.707 20.886 1.00 14.43 O ATOM 558 CB ASP A 40 -5.095 0.951 22.569 1.00 11.35 C ATOM 559 CG ASP A 40 -3.614 1.151 22.824 1.00 22.23 C ATOM 560 OD1 ASP A 40 -3.131 2.289 22.651 1.00 23.52 O ATOM 561 OD2 ASP A 40 -2.938 0.168 23.196 1.00 22.42 O ATOM 0 H ASP A 40 -7.166 2.127 21.554 1.00 41.34 H new ATOM 0 HA ASP A 40 -4.547 1.271 20.517 1.00 64.24 H new ATOM 0 HB2 ASP A 40 -5.660 1.710 23.110 1.00 11.35 H new ATOM 0 HB3 ASP A 40 -5.401 -0.017 22.965 1.00 11.35 H new ATOM 566 N PHE A 41 -5.121 -1.052 19.870 1.00 60.21 N ATOM 567 CA PHE A 41 -5.493 -2.361 19.348 1.00 21.20 C ATOM 568 C PHE A 41 -4.661 -3.463 19.997 1.00 74.22 C ATOM 569 O PHE A 41 -3.762 -4.040 19.384 1.00 12.02 O ATOM 570 CB PHE A 41 -5.313 -2.398 17.829 1.00 71.11 C ATOM 571 CG PHE A 41 -6.557 -2.039 17.068 1.00 12.31 C ATOM 572 CD1 PHE A 41 -7.450 -1.107 17.574 1.00 52.11 C ATOM 573 CD2 PHE A 41 -6.835 -2.633 15.848 1.00 32.04 C ATOM 574 CE1 PHE A 41 -8.596 -0.775 16.876 1.00 52.44 C ATOM 575 CE2 PHE A 41 -7.979 -2.305 15.146 1.00 53.44 C ATOM 576 CZ PHE A 41 -8.861 -1.374 15.661 1.00 35.31 C ATOM 0 H PHE A 41 -4.177 -0.754 19.626 1.00 60.21 H new ATOM 0 HA PHE A 41 -6.542 -2.534 19.587 1.00 21.20 H new ATOM 0 HB2 PHE A 41 -4.515 -1.711 17.549 1.00 71.11 H new ATOM 0 HB3 PHE A 41 -4.992 -3.397 17.534 1.00 71.11 H new ATOM 0 HD1 PHE A 41 -7.248 -0.635 18.524 1.00 52.11 H new ATOM 0 HD2 PHE A 41 -6.149 -3.361 15.441 1.00 32.04 H new ATOM 0 HE1 PHE A 41 -9.284 -0.047 17.281 1.00 52.44 H new ATOM 0 HE2 PHE A 41 -8.184 -2.776 14.196 1.00 53.44 H new ATOM 0 HZ PHE A 41 -9.756 -1.116 15.114 1.00 35.31 H new ATOM 586 N PRO A 42 -4.965 -3.762 21.270 1.00 11.53 N ATOM 587 CA PRO A 42 -4.257 -4.794 22.030 1.00 34.33 C ATOM 588 C PRO A 42 -4.562 -6.200 21.524 1.00 2.14 C ATOM 589 O PRO A 42 -3.654 -6.993 21.271 1.00 62.32 O ATOM 590 CB PRO A 42 -4.787 -4.612 23.454 1.00 34.21 C ATOM 591 CG PRO A 42 -6.127 -3.986 23.282 1.00 62.12 C ATOM 592 CD PRO A 42 -6.024 -3.114 22.062 1.00 11.04 C ATOM 0 HA PRO A 42 -3.175 -4.691 21.946 1.00 34.33 H new ATOM 0 HB2 PRO A 42 -4.860 -5.567 23.974 1.00 34.21 H new ATOM 0 HB3 PRO A 42 -4.126 -3.977 24.044 1.00 34.21 H new ATOM 0 HG2 PRO A 42 -6.899 -4.745 23.155 1.00 62.12 H new ATOM 0 HG3 PRO A 42 -6.399 -3.399 24.159 1.00 62.12 H new ATOM 0 HD2 PRO A 42 -6.967 -3.073 21.516 1.00 11.04 H new ATOM 0 HD3 PRO A 42 -5.761 -2.088 22.322 1.00 11.04 H new ATOM 600 N THR A 43 -5.848 -6.504 21.377 1.00 5.32 N ATOM 601 CA THR A 43 -6.274 -7.815 20.901 1.00 44.43 C ATOM 602 C THR A 43 -6.021 -7.965 19.405 1.00 72.40 C ATOM 603 O THR A 43 -6.132 -7.003 18.646 1.00 62.43 O ATOM 604 CB THR A 43 -7.769 -8.056 21.183 1.00 43.02 C ATOM 605 OG1 THR A 43 -8.163 -7.356 22.369 1.00 42.33 O ATOM 606 CG2 THR A 43 -8.056 -9.541 21.347 1.00 71.44 C ATOM 0 H THR A 43 -6.613 -5.860 21.581 1.00 5.32 H new ATOM 0 HA THR A 43 -5.685 -8.555 21.443 1.00 44.43 H new ATOM 0 HB THR A 43 -8.341 -7.683 20.334 1.00 43.02 H new ATOM 0 HG1 THR A 43 -9.115 -7.513 22.540 1.00 42.33 H new ATOM 0 HG21 THR A 43 -9.118 -9.687 21.545 1.00 71.44 H new ATOM 0 HG22 THR A 43 -7.782 -10.068 20.433 1.00 71.44 H new ATOM 0 HG23 THR A 43 -7.474 -9.934 22.181 1.00 71.44 H new ATOM 614 N GLY A 44 -5.680 -9.180 18.987 1.00 34.10 N ATOM 615 CA GLY A 44 -5.417 -9.435 17.583 1.00 2.35 C ATOM 616 C GLY A 44 -6.358 -8.675 16.669 1.00 33.40 C ATOM 617 O GLY A 44 -7.496 -9.093 16.450 1.00 41.10 O ATOM 0 H GLY A 44 -5.581 -9.992 19.596 1.00 34.10 H new ATOM 0 HA2 GLY A 44 -4.389 -9.157 17.353 1.00 2.35 H new ATOM 0 HA3 GLY A 44 -5.510 -10.503 17.387 1.00 2.35 H new ATOM 621 N THR A 45 -5.885 -7.554 16.136 1.00 44.43 N ATOM 622 CA THR A 45 -6.693 -6.731 15.243 1.00 63.52 C ATOM 623 C THR A 45 -5.815 -5.905 14.310 1.00 72.41 C ATOM 624 O THR A 45 -4.646 -5.654 14.603 1.00 53.45 O ATOM 625 CB THR A 45 -7.617 -5.785 16.033 1.00 34.30 C ATOM 626 OG1 THR A 45 -6.894 -5.186 17.114 1.00 72.43 O ATOM 627 CG2 THR A 45 -8.824 -6.535 16.577 1.00 34.50 C ATOM 0 H THR A 45 -4.946 -7.194 16.307 1.00 44.43 H new ATOM 0 HA THR A 45 -7.304 -7.413 14.652 1.00 63.52 H new ATOM 0 HB THR A 45 -7.969 -5.007 15.356 1.00 34.30 H new ATOM 0 HG1 THR A 45 -6.952 -4.210 17.045 1.00 72.43 H new ATOM 0 HG21 THR A 45 -9.461 -5.846 17.131 1.00 34.50 H new ATOM 0 HG22 THR A 45 -9.388 -6.965 15.750 1.00 34.50 H new ATOM 0 HG23 THR A 45 -8.488 -7.332 17.241 1.00 34.50 H new ATOM 635 N LYS A 46 -6.385 -5.484 13.187 1.00 2.20 N ATOM 636 CA LYS A 46 -5.656 -4.684 12.211 1.00 53.44 C ATOM 637 C LYS A 46 -6.583 -4.199 11.101 1.00 60.50 C ATOM 638 O LYS A 46 -7.339 -4.981 10.525 1.00 23.24 O ATOM 639 CB LYS A 46 -4.506 -5.496 11.611 1.00 25.12 C ATOM 640 CG LYS A 46 -4.935 -6.854 11.082 1.00 15.45 C ATOM 641 CD LYS A 46 -3.867 -7.465 10.189 1.00 4.34 C ATOM 642 CE LYS A 46 -2.749 -8.094 11.007 1.00 0.13 C ATOM 643 NZ LYS A 46 -2.963 -9.554 11.209 1.00 54.43 N ATOM 0 H LYS A 46 -7.352 -5.684 12.930 1.00 2.20 H new ATOM 0 HA LYS A 46 -5.249 -3.814 12.725 1.00 53.44 H new ATOM 0 HB2 LYS A 46 -4.053 -4.925 10.800 1.00 25.12 H new ATOM 0 HB3 LYS A 46 -3.736 -5.637 12.370 1.00 25.12 H new ATOM 0 HG2 LYS A 46 -5.139 -7.524 11.918 1.00 15.45 H new ATOM 0 HG3 LYS A 46 -5.864 -6.751 10.522 1.00 15.45 H new ATOM 0 HD2 LYS A 46 -4.318 -8.221 9.546 1.00 4.34 H new ATOM 0 HD3 LYS A 46 -3.453 -6.696 9.536 1.00 4.34 H new ATOM 0 HE2 LYS A 46 -1.796 -7.933 10.503 1.00 0.13 H new ATOM 0 HE3 LYS A 46 -2.685 -7.599 11.976 1.00 0.13 H new ATOM 0 HZ1 LYS A 46 -2.180 -9.945 11.771 1.00 54.43 H new ATOM 0 HZ2 LYS A 46 -3.860 -9.707 11.712 1.00 54.43 H new ATOM 0 HZ3 LYS A 46 -2.998 -10.031 10.285 1.00 54.43 H new ATOM 657 N VAL A 47 -6.520 -2.904 10.806 1.00 73.30 N ATOM 658 CA VAL A 47 -7.353 -2.316 9.764 1.00 15.34 C ATOM 659 C VAL A 47 -6.748 -2.544 8.383 1.00 35.31 C ATOM 660 O VAL A 47 -5.748 -1.924 8.021 1.00 1.33 O ATOM 661 CB VAL A 47 -7.544 -0.804 9.985 1.00 45.41 C ATOM 662 CG1 VAL A 47 -8.302 -0.186 8.821 1.00 1.25 C ATOM 663 CG2 VAL A 47 -8.265 -0.545 11.299 1.00 72.32 C ATOM 0 H VAL A 47 -5.901 -2.242 11.274 1.00 73.30 H new ATOM 0 HA VAL A 47 -8.323 -2.809 9.819 1.00 15.34 H new ATOM 0 HB VAL A 47 -6.561 -0.335 10.037 1.00 45.41 H new ATOM 0 HG11 VAL A 47 -8.427 0.883 8.995 1.00 1.25 H new ATOM 0 HG12 VAL A 47 -7.742 -0.340 7.899 1.00 1.25 H new ATOM 0 HG13 VAL A 47 -9.281 -0.657 8.734 1.00 1.25 H new ATOM 0 HG21 VAL A 47 -8.392 0.529 11.439 1.00 72.32 H new ATOM 0 HG22 VAL A 47 -9.243 -1.026 11.278 1.00 72.32 H new ATOM 0 HG23 VAL A 47 -7.678 -0.952 12.122 1.00 72.32 H new ATOM 673 N THR A 48 -7.361 -3.441 7.616 1.00 44.25 N ATOM 674 CA THR A 48 -6.883 -3.752 6.275 1.00 33.05 C ATOM 675 C THR A 48 -6.961 -2.531 5.366 1.00 11.24 C ATOM 676 O THR A 48 -5.999 -2.199 4.673 1.00 12.41 O ATOM 677 CB THR A 48 -7.692 -4.901 5.643 1.00 10.54 C ATOM 678 OG1 THR A 48 -8.195 -5.766 6.667 1.00 3.23 O ATOM 679 CG2 THR A 48 -6.833 -5.699 4.674 1.00 2.34 C ATOM 0 H THR A 48 -8.189 -3.964 7.901 1.00 44.25 H new ATOM 0 HA THR A 48 -5.843 -4.061 6.374 1.00 33.05 H new ATOM 0 HB THR A 48 -8.526 -4.468 5.091 1.00 10.54 H new ATOM 0 HG1 THR A 48 -8.709 -6.493 6.258 1.00 3.23 H new ATOM 0 HG21 THR A 48 -7.426 -6.504 4.241 1.00 2.34 H new ATOM 0 HG22 THR A 48 -6.476 -5.044 3.880 1.00 2.34 H new ATOM 0 HG23 THR A 48 -5.981 -6.122 5.206 1.00 2.34 H new ATOM 687 N SER A 49 -8.111 -1.865 5.374 1.00 52.14 N ATOM 688 CA SER A 49 -8.315 -0.681 4.546 1.00 73.42 C ATOM 689 C SER A 49 -9.226 0.321 5.249 1.00 10.22 C ATOM 690 O SER A 49 -10.018 -0.045 6.115 1.00 61.40 O ATOM 691 CB SER A 49 -8.915 -1.074 3.195 1.00 73.34 C ATOM 692 OG SER A 49 -7.902 -1.249 2.219 1.00 72.01 O ATOM 0 H SER A 49 -8.916 -2.125 5.944 1.00 52.14 H new ATOM 0 HA SER A 49 -7.345 -0.211 4.381 1.00 73.42 H new ATOM 0 HB2 SER A 49 -9.485 -1.997 3.301 1.00 73.34 H new ATOM 0 HB3 SER A 49 -9.613 -0.304 2.866 1.00 73.34 H new ATOM 0 HG SER A 49 -7.082 -1.566 2.652 1.00 72.01 H new ATOM 698 N ALA A 50 -9.106 1.588 4.866 1.00 22.03 N ATOM 699 CA ALA A 50 -9.920 2.644 5.456 1.00 63.30 C ATOM 700 C ALA A 50 -10.320 3.679 4.410 1.00 22.20 C ATOM 701 O ALA A 50 -9.493 4.119 3.611 1.00 30.01 O ATOM 702 CB ALA A 50 -9.171 3.310 6.600 1.00 64.42 C ATOM 0 H ALA A 50 -8.453 1.908 4.150 1.00 22.03 H new ATOM 0 HA ALA A 50 -10.831 2.191 5.847 1.00 63.30 H new ATOM 0 HB1 ALA A 50 -9.790 4.096 7.031 1.00 64.42 H new ATOM 0 HB2 ALA A 50 -8.941 2.568 7.365 1.00 64.42 H new ATOM 0 HB3 ALA A 50 -8.244 3.743 6.225 1.00 64.42 H new ATOM 708 N TRP A 51 -11.592 4.062 4.420 1.00 15.13 N ATOM 709 CA TRP A 51 -12.101 5.045 3.469 1.00 53.13 C ATOM 710 C TRP A 51 -12.627 6.279 4.193 1.00 44.13 C ATOM 711 O TRP A 51 -13.175 6.180 5.291 1.00 34.32 O ATOM 712 CB TRP A 51 -13.209 4.430 2.612 1.00 55.32 C ATOM 713 CG TRP A 51 -14.245 3.702 3.413 1.00 52.24 C ATOM 714 CD1 TRP A 51 -15.302 4.254 4.079 1.00 72.35 C ATOM 715 CD2 TRP A 51 -14.322 2.290 3.634 1.00 15.25 C ATOM 716 NE1 TRP A 51 -16.031 3.269 4.701 1.00 63.33 N ATOM 717 CE2 TRP A 51 -15.452 2.055 4.442 1.00 42.01 C ATOM 718 CE3 TRP A 51 -13.548 1.200 3.226 1.00 52.43 C ATOM 719 CZ2 TRP A 51 -15.823 0.776 4.850 1.00 43.41 C ATOM 720 CZ3 TRP A 51 -13.917 -0.068 3.631 1.00 64.51 C ATOM 721 CH2 TRP A 51 -15.047 -0.271 4.435 1.00 21.34 C ATOM 0 H TRP A 51 -12.289 3.708 5.075 1.00 15.13 H new ATOM 0 HA TRP A 51 -11.278 5.349 2.822 1.00 53.13 H new ATOM 0 HB2 TRP A 51 -13.693 5.219 2.036 1.00 55.32 H new ATOM 0 HB3 TRP A 51 -12.763 3.740 1.895 1.00 55.32 H new ATOM 0 HD1 TRP A 51 -15.531 5.309 4.112 1.00 72.35 H new ATOM 0 HE1 TRP A 51 -16.868 3.418 5.265 1.00 63.33 H new ATOM 0 HE3 TRP A 51 -12.677 1.347 2.605 1.00 52.43 H new ATOM 0 HZ2 TRP A 51 -16.692 0.617 5.471 1.00 43.41 H new ATOM 0 HZ3 TRP A 51 -13.325 -0.917 3.323 1.00 64.51 H new ATOM 0 HH2 TRP A 51 -15.310 -1.275 4.733 1.00 21.34 H new ATOM 732 N ASP A 52 -12.458 7.441 3.572 1.00 41.14 N ATOM 733 CA ASP A 52 -12.918 8.695 4.157 1.00 2.01 C ATOM 734 C ASP A 52 -12.149 9.012 5.436 1.00 71.02 C ATOM 735 O ASP A 52 -12.544 9.884 6.209 1.00 61.44 O ATOM 736 CB ASP A 52 -14.417 8.625 4.453 1.00 4.35 C ATOM 737 CG ASP A 52 -15.174 9.810 3.885 1.00 5.15 C ATOM 738 OD1 ASP A 52 -15.154 10.885 4.519 1.00 52.03 O ATOM 739 OD2 ASP A 52 -15.789 9.661 2.807 1.00 52.41 O ATOM 0 H ASP A 52 -12.006 7.541 2.663 1.00 41.14 H new ATOM 0 HA ASP A 52 -12.735 9.492 3.437 1.00 2.01 H new ATOM 0 HB2 ASP A 52 -14.824 7.704 4.037 1.00 4.35 H new ATOM 0 HB3 ASP A 52 -14.570 8.582 5.531 1.00 4.35 H new ATOM 744 N ALA A 53 -11.050 8.298 5.652 1.00 31.33 N ATOM 745 CA ALA A 53 -10.225 8.502 6.837 1.00 64.03 C ATOM 746 C ALA A 53 -8.941 7.686 6.760 1.00 12.43 C ATOM 747 O ALA A 53 -8.950 6.473 6.973 1.00 13.33 O ATOM 748 CB ALA A 53 -11.007 8.144 8.093 1.00 11.34 C ATOM 0 H ALA A 53 -10.709 7.572 5.021 1.00 31.33 H new ATOM 0 HA ALA A 53 -9.951 9.556 6.881 1.00 64.03 H new ATOM 0 HB1 ALA A 53 -10.379 8.301 8.970 1.00 11.34 H new ATOM 0 HB2 ALA A 53 -11.892 8.776 8.163 1.00 11.34 H new ATOM 0 HB3 ALA A 53 -11.311 7.098 8.047 1.00 11.34 H new ATOM 754 N THR A 54 -7.835 8.358 6.454 1.00 33.42 N ATOM 755 CA THR A 54 -6.542 7.693 6.347 1.00 43.14 C ATOM 756 C THR A 54 -6.119 7.095 7.684 1.00 32.11 C ATOM 757 O THR A 54 -5.576 7.790 8.542 1.00 30.53 O ATOM 758 CB THR A 54 -5.450 8.666 5.864 1.00 55.12 C ATOM 759 OG1 THR A 54 -5.799 9.198 4.582 1.00 42.31 O ATOM 760 CG2 THR A 54 -4.101 7.965 5.778 1.00 42.43 C ATOM 0 H THR A 54 -7.809 9.362 6.276 1.00 33.42 H new ATOM 0 HA THR A 54 -6.656 6.893 5.615 1.00 43.14 H new ATOM 0 HB THR A 54 -5.374 9.480 6.585 1.00 55.12 H new ATOM 0 HG1 THR A 54 -5.100 9.817 4.283 1.00 42.31 H new ATOM 0 HG21 THR A 54 -3.345 8.671 5.435 1.00 42.43 H new ATOM 0 HG22 THR A 54 -3.824 7.587 6.762 1.00 42.43 H new ATOM 0 HG23 THR A 54 -4.167 7.134 5.075 1.00 42.43 H new ATOM 768 N VAL A 55 -6.371 5.801 7.854 1.00 34.34 N ATOM 769 CA VAL A 55 -6.014 5.108 9.086 1.00 33.43 C ATOM 770 C VAL A 55 -4.599 4.546 9.010 1.00 13.21 C ATOM 771 O VAL A 55 -4.231 3.886 8.037 1.00 65.00 O ATOM 772 CB VAL A 55 -6.995 3.960 9.388 1.00 65.21 C ATOM 773 CG1 VAL A 55 -6.571 3.211 10.643 1.00 1.24 C ATOM 774 CG2 VAL A 55 -8.413 4.495 9.530 1.00 34.44 C ATOM 0 H VAL A 55 -6.821 5.211 7.154 1.00 34.34 H new ATOM 0 HA VAL A 55 -6.067 5.843 9.890 1.00 33.43 H new ATOM 0 HB VAL A 55 -6.977 3.260 8.553 1.00 65.21 H new ATOM 0 HG11 VAL A 55 -7.276 2.404 10.840 1.00 1.24 H new ATOM 0 HG12 VAL A 55 -5.574 2.795 10.499 1.00 1.24 H new ATOM 0 HG13 VAL A 55 -6.559 3.897 11.490 1.00 1.24 H new ATOM 0 HG21 VAL A 55 -9.093 3.670 9.743 1.00 34.44 H new ATOM 0 HG22 VAL A 55 -8.450 5.216 10.346 1.00 34.44 H new ATOM 0 HG23 VAL A 55 -8.713 4.982 8.602 1.00 34.44 H new ATOM 784 N THR A 56 -3.807 4.810 10.045 1.00 51.44 N ATOM 785 CA THR A 56 -2.431 4.331 10.096 1.00 1.21 C ATOM 786 C THR A 56 -2.209 3.422 11.299 1.00 24.43 C ATOM 787 O THR A 56 -3.084 3.284 12.153 1.00 23.45 O ATOM 788 CB THR A 56 -1.431 5.501 10.160 1.00 40.21 C ATOM 789 OG1 THR A 56 -0.094 5.011 10.012 1.00 54.41 O ATOM 790 CG2 THR A 56 -1.560 6.251 11.478 1.00 73.34 C ATOM 0 H THR A 56 -4.095 5.353 10.859 1.00 51.44 H new ATOM 0 HA THR A 56 -2.260 3.765 9.180 1.00 1.21 H new ATOM 0 HB THR A 56 -1.657 6.189 9.345 1.00 40.21 H new ATOM 0 HG1 THR A 56 0.536 5.761 10.052 1.00 54.41 H new ATOM 0 HG21 THR A 56 -0.844 7.073 11.501 1.00 73.34 H new ATOM 0 HG22 THR A 56 -2.571 6.648 11.574 1.00 73.34 H new ATOM 0 HG23 THR A 56 -1.358 5.571 12.305 1.00 73.34 H new ATOM 798 N ASN A 57 -1.034 2.805 11.361 1.00 1.23 N ATOM 799 CA ASN A 57 -0.698 1.908 12.460 1.00 1.00 C ATOM 800 C ASN A 57 0.702 2.198 12.990 1.00 52.41 C ATOM 801 O ASN A 57 1.546 2.743 12.278 1.00 21.11 O ATOM 802 CB ASN A 57 -0.791 0.451 12.004 1.00 12.12 C ATOM 803 CG ASN A 57 0.477 -0.023 11.320 1.00 3.21 C ATOM 804 OD1 ASN A 57 0.660 0.178 10.119 1.00 61.23 O ATOM 805 ND2 ASN A 57 1.360 -0.656 12.083 1.00 21.21 N ATOM 0 H ASN A 57 -0.298 2.910 10.663 1.00 1.23 H new ATOM 0 HA ASN A 57 -1.414 2.076 13.265 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -0.995 -0.184 12.866 1.00 12.12 H new ATOM 0 HB3 ASN A 57 -1.633 0.340 11.320 1.00 12.12 H new ATOM 0 HD21 ASN A 57 2.232 -0.998 11.678 1.00 21.21 H new ATOM 0 HD22 ASN A 57 1.167 -0.801 13.074 1.00 21.21 H new ATOM 812 N SER A 58 0.942 1.831 14.245 1.00 33.34 N ATOM 813 CA SER A 58 2.239 2.054 14.873 1.00 2.51 C ATOM 814 C SER A 58 2.426 1.137 16.076 1.00 20.40 C ATOM 815 O SER A 58 2.144 1.518 17.212 1.00 3.21 O ATOM 816 CB SER A 58 2.375 3.516 15.305 1.00 11.31 C ATOM 817 OG SER A 58 3.151 4.252 14.376 1.00 45.40 O ATOM 0 H SER A 58 0.255 1.378 14.847 1.00 33.34 H new ATOM 0 HA SER A 58 3.013 1.825 14.141 1.00 2.51 H new ATOM 0 HB2 SER A 58 1.386 3.966 15.394 1.00 11.31 H new ATOM 0 HB3 SER A 58 2.838 3.566 16.291 1.00 11.31 H new ATOM 0 HG SER A 58 2.868 4.030 13.465 1.00 45.40 H new ATOM 823 N GLY A 59 2.904 -0.077 15.819 1.00 51.40 N ATOM 824 CA GLY A 59 3.120 -1.032 16.890 1.00 53.23 C ATOM 825 C GLY A 59 1.824 -1.613 17.420 1.00 54.30 C ATOM 826 O GLY A 59 1.314 -2.598 16.886 1.00 63.23 O ATOM 0 H GLY A 59 3.145 -0.416 14.888 1.00 51.40 H new ATOM 0 HA2 GLY A 59 3.756 -1.840 16.529 1.00 53.23 H new ATOM 0 HA3 GLY A 59 3.656 -0.545 17.705 1.00 53.23 H new ATOM 830 N ASP A 60 1.292 -1.003 18.473 1.00 60.32 N ATOM 831 CA ASP A 60 0.048 -1.467 19.077 1.00 42.53 C ATOM 832 C ASP A 60 -0.966 -0.331 19.171 1.00 41.30 C ATOM 833 O ASP A 60 -1.942 -0.416 19.917 1.00 4.02 O ATOM 834 CB ASP A 60 0.314 -2.046 20.467 1.00 43.12 C ATOM 835 CG ASP A 60 0.569 -3.539 20.432 1.00 73.31 C ATOM 836 OD1 ASP A 60 -0.397 -4.300 20.216 1.00 34.15 O ATOM 837 OD2 ASP A 60 1.734 -3.948 20.622 1.00 44.22 O ATOM 0 H ASP A 60 1.702 -0.186 18.926 1.00 60.32 H new ATOM 0 HA ASP A 60 -0.366 -2.249 18.441 1.00 42.53 H new ATOM 0 HB2 ASP A 60 1.175 -1.543 20.908 1.00 43.12 H new ATOM 0 HB3 ASP A 60 -0.540 -1.841 21.112 1.00 43.12 H new ATOM 842 N HIS A 61 -0.727 0.734 18.411 1.00 42.21 N ATOM 843 CA HIS A 61 -1.619 1.888 18.409 1.00 11.52 C ATOM 844 C HIS A 61 -2.000 2.278 16.984 1.00 62.31 C ATOM 845 O HIS A 61 -1.204 2.131 16.056 1.00 73.21 O ATOM 846 CB HIS A 61 -0.958 3.071 19.115 1.00 61.05 C ATOM 847 CG HIS A 61 -1.740 4.344 19.011 1.00 42.02 C ATOM 848 ND1 HIS A 61 -2.518 4.835 20.037 1.00 63.24 N ATOM 849 CD2 HIS A 61 -1.860 5.230 17.994 1.00 31.14 C ATOM 850 CE1 HIS A 61 -3.084 5.966 19.656 1.00 41.22 C ATOM 851 NE2 HIS A 61 -2.700 6.228 18.420 1.00 45.24 N ATOM 0 H HIS A 61 0.077 0.821 17.789 1.00 42.21 H new ATOM 0 HA HIS A 61 -2.527 1.615 18.947 1.00 11.52 H new ATOM 0 HB2 HIS A 61 -0.820 2.824 20.168 1.00 61.05 H new ATOM 0 HB3 HIS A 61 0.034 3.228 18.692 1.00 61.05 H new ATOM 0 HD2 HIS A 61 -1.383 5.164 17.027 1.00 31.14 H new ATOM 0 HE1 HIS A 61 -3.748 6.573 20.254 1.00 41.22 H new ATOM 0 HE2 HIS A 61 -2.982 7.040 17.871 1.00 45.24 H new ATOM 859 N TRP A 62 -3.221 2.775 16.818 1.00 33.21 N ATOM 860 CA TRP A 62 -3.707 3.185 15.506 1.00 11.51 C ATOM 861 C TRP A 62 -4.317 4.581 15.564 1.00 42.31 C ATOM 862 O TRP A 62 -4.684 5.066 16.635 1.00 52.12 O ATOM 863 CB TRP A 62 -4.738 2.185 14.986 1.00 25.44 C ATOM 864 CG TRP A 62 -4.150 0.853 14.630 1.00 75.42 C ATOM 865 CD1 TRP A 62 -3.600 -0.056 15.489 1.00 2.30 C ATOM 866 CD2 TRP A 62 -4.048 0.282 13.321 1.00 30.10 C ATOM 867 NE1 TRP A 62 -3.163 -1.157 14.792 1.00 62.44 N ATOM 868 CE2 TRP A 62 -3.428 -0.974 13.461 1.00 53.01 C ATOM 869 CE3 TRP A 62 -4.423 0.710 12.045 1.00 11.14 C ATOM 870 CZ2 TRP A 62 -3.174 -1.805 12.373 1.00 2.51 C ATOM 871 CZ3 TRP A 62 -4.171 -0.115 10.965 1.00 41.21 C ATOM 872 CH2 TRP A 62 -3.552 -1.361 11.134 1.00 3.21 C ATOM 0 H TRP A 62 -3.892 2.904 17.575 1.00 33.21 H new ATOM 0 HA TRP A 62 -2.858 3.208 14.822 1.00 11.51 H new ATOM 0 HB2 TRP A 62 -5.509 2.043 15.743 1.00 25.44 H new ATOM 0 HB3 TRP A 62 -5.228 2.604 14.107 1.00 25.44 H new ATOM 0 HD1 TRP A 62 -3.520 0.072 16.558 1.00 2.30 H new ATOM 0 HE1 TRP A 62 -2.714 -1.977 15.200 1.00 62.44 H new ATOM 0 HE3 TRP A 62 -4.901 1.668 11.905 1.00 11.14 H new ATOM 0 HZ2 TRP A 62 -2.696 -2.765 12.502 1.00 2.51 H new ATOM 0 HZ3 TRP A 62 -4.456 0.206 9.974 1.00 41.21 H new ATOM 0 HH2 TRP A 62 -3.370 -1.983 10.270 1.00 3.21 H new ATOM 883 N THR A 63 -4.425 5.224 14.404 1.00 70.32 N ATOM 884 CA THR A 63 -4.992 6.564 14.324 1.00 72.23 C ATOM 885 C THR A 63 -5.617 6.816 12.957 1.00 73.30 C ATOM 886 O THR A 63 -5.161 6.280 11.947 1.00 61.32 O ATOM 887 CB THR A 63 -3.924 7.641 14.594 1.00 51.44 C ATOM 888 OG1 THR A 63 -3.279 7.389 15.847 1.00 42.51 O ATOM 889 CG2 THR A 63 -4.547 9.029 14.610 1.00 4.52 C ATOM 0 H THR A 63 -4.127 4.838 13.508 1.00 70.32 H new ATOM 0 HA THR A 63 -5.765 6.627 15.090 1.00 72.23 H new ATOM 0 HB THR A 63 -3.187 7.599 13.792 1.00 51.44 H new ATOM 0 HG1 THR A 63 -2.601 8.077 16.010 1.00 42.51 H new ATOM 0 HG21 THR A 63 -3.774 9.773 14.802 1.00 4.52 H new ATOM 0 HG22 THR A 63 -5.012 9.230 13.645 1.00 4.52 H new ATOM 0 HG23 THR A 63 -5.302 9.080 15.394 1.00 4.52 H new ATOM 897 N ALA A 64 -6.663 7.635 12.932 1.00 1.22 N ATOM 898 CA ALA A 64 -7.349 7.960 11.687 1.00 61.53 C ATOM 899 C ALA A 64 -7.502 9.468 11.522 1.00 64.01 C ATOM 900 O ALA A 64 -7.881 10.170 12.460 1.00 54.35 O ATOM 901 CB ALA A 64 -8.710 7.281 11.642 1.00 75.34 C ATOM 0 H ALA A 64 -7.054 8.086 13.759 1.00 1.22 H new ATOM 0 HA ALA A 64 -6.743 7.590 10.860 1.00 61.53 H new ATOM 0 HB1 ALA A 64 -9.211 7.532 10.707 1.00 75.34 H new ATOM 0 HB2 ALA A 64 -8.580 6.201 11.705 1.00 75.34 H new ATOM 0 HB3 ALA A 64 -9.315 7.623 12.481 1.00 75.34 H new ATOM 907 N LYS A 65 -7.205 9.961 10.325 1.00 33.02 N ATOM 908 CA LYS A 65 -7.310 11.386 10.036 1.00 24.14 C ATOM 909 C LYS A 65 -7.916 11.618 8.655 1.00 1.13 C ATOM 910 O LYS A 65 -7.852 10.750 7.785 1.00 20.32 O ATOM 911 CB LYS A 65 -5.932 12.048 10.117 1.00 32.44 C ATOM 912 CG LYS A 65 -5.044 11.468 11.204 1.00 54.44 C ATOM 913 CD LYS A 65 -4.214 10.306 10.686 1.00 55.30 C ATOM 914 CE LYS A 65 -2.751 10.447 11.079 1.00 51.11 C ATOM 915 NZ LYS A 65 -1.852 9.722 10.139 1.00 10.13 N ATOM 0 H LYS A 65 -6.889 9.394 9.538 1.00 33.02 H new ATOM 0 HA LYS A 65 -7.966 11.834 10.782 1.00 24.14 H new ATOM 0 HB2 LYS A 65 -5.430 11.943 9.155 1.00 32.44 H new ATOM 0 HB3 LYS A 65 -6.061 13.116 10.295 1.00 32.44 H new ATOM 0 HG2 LYS A 65 -4.383 12.245 11.588 1.00 54.44 H new ATOM 0 HG3 LYS A 65 -5.660 11.133 12.038 1.00 54.44 H new ATOM 0 HD2 LYS A 65 -4.609 9.370 11.081 1.00 55.30 H new ATOM 0 HD3 LYS A 65 -4.297 10.254 9.600 1.00 55.30 H new ATOM 0 HE2 LYS A 65 -2.480 11.503 11.099 1.00 51.11 H new ATOM 0 HE3 LYS A 65 -2.607 10.062 12.089 1.00 51.11 H new ATOM 0 HZ1 LYS A 65 -0.864 9.842 10.441 1.00 10.13 H new ATOM 0 HZ2 LYS A 65 -2.093 8.710 10.139 1.00 10.13 H new ATOM 0 HZ3 LYS A 65 -1.970 10.106 9.180 1.00 10.13 H new ATOM 929 N ASN A 66 -8.502 12.795 8.461 1.00 21.03 N ATOM 930 CA ASN A 66 -9.118 13.141 7.185 1.00 45.35 C ATOM 931 C ASN A 66 -8.662 14.520 6.717 1.00 3.23 C ATOM 932 O ASN A 66 -8.204 14.683 5.586 1.00 50.52 O ATOM 933 CB ASN A 66 -10.643 13.110 7.306 1.00 63.10 C ATOM 934 CG ASN A 66 -11.333 13.332 5.975 1.00 41.12 C ATOM 935 OD1 ASN A 66 -12.213 14.186 5.854 1.00 23.34 O ATOM 936 ND2 ASN A 66 -10.937 12.564 4.967 1.00 0.24 N ATOM 0 H ASN A 66 -8.563 13.525 9.171 1.00 21.03 H new ATOM 0 HA ASN A 66 -8.804 12.404 6.446 1.00 45.35 H new ATOM 0 HB2 ASN A 66 -10.953 12.149 7.717 1.00 63.10 H new ATOM 0 HB3 ASN A 66 -10.964 13.877 8.011 1.00 63.10 H new ATOM 0 HD21 ASN A 66 -11.365 12.669 4.047 1.00 0.24 H new ATOM 0 HD22 ASN A 66 -10.204 11.869 5.112 1.00 0.24 H new ATOM 943 N VAL A 67 -8.792 15.510 7.595 1.00 12.51 N ATOM 944 CA VAL A 67 -8.392 16.874 7.272 1.00 73.13 C ATOM 945 C VAL A 67 -7.045 17.215 7.901 1.00 3.44 C ATOM 946 O VAL A 67 -6.836 18.328 8.382 1.00 10.14 O ATOM 947 CB VAL A 67 -9.442 17.894 7.752 1.00 52.53 C ATOM 948 CG1 VAL A 67 -9.581 19.028 6.748 1.00 42.41 C ATOM 949 CG2 VAL A 67 -10.780 17.211 7.986 1.00 43.32 C ATOM 0 H VAL A 67 -9.171 15.393 8.535 1.00 12.51 H new ATOM 0 HA VAL A 67 -8.308 16.931 6.187 1.00 73.13 H new ATOM 0 HB VAL A 67 -9.106 18.317 8.699 1.00 52.53 H new ATOM 0 HG11 VAL A 67 -10.327 19.739 7.103 1.00 42.41 H new ATOM 0 HG12 VAL A 67 -8.622 19.534 6.635 1.00 42.41 H new ATOM 0 HG13 VAL A 67 -9.894 18.625 5.785 1.00 42.41 H new ATOM 0 HG21 VAL A 67 -11.510 17.947 8.325 1.00 43.32 H new ATOM 0 HG22 VAL A 67 -11.125 16.759 7.056 1.00 43.32 H new ATOM 0 HG23 VAL A 67 -10.666 16.437 8.745 1.00 43.32 H new ATOM 959 N GLY A 68 -6.132 16.248 7.892 1.00 31.21 N ATOM 960 CA GLY A 68 -4.816 16.465 8.463 1.00 33.00 C ATOM 961 C GLY A 68 -3.911 17.265 7.547 1.00 33.04 C ATOM 962 O GLY A 68 -2.760 17.538 7.885 1.00 12.10 O ATOM 0 H GLY A 68 -6.281 15.318 7.499 1.00 31.21 H new ATOM 0 HA2 GLY A 68 -4.918 16.987 9.414 1.00 33.00 H new ATOM 0 HA3 GLY A 68 -4.352 15.502 8.676 1.00 33.00 H new ATOM 966 N TRP A 69 -4.432 17.638 6.384 1.00 44.23 N ATOM 967 CA TRP A 69 -3.662 18.410 5.415 1.00 41.21 C ATOM 968 C TRP A 69 -4.255 19.803 5.234 1.00 3.23 C ATOM 969 O TRP A 69 -3.555 20.742 4.856 1.00 21.54 O ATOM 970 CB TRP A 69 -3.618 17.682 4.071 1.00 3.13 C ATOM 971 CG TRP A 69 -4.883 16.941 3.755 1.00 35.14 C ATOM 972 CD1 TRP A 69 -5.158 15.634 4.040 1.00 43.01 C ATOM 973 CD2 TRP A 69 -6.039 17.462 3.093 1.00 64.12 C ATOM 974 NE1 TRP A 69 -6.418 15.312 3.595 1.00 60.14 N ATOM 975 CE2 TRP A 69 -6.979 16.417 3.012 1.00 25.24 C ATOM 976 CE3 TRP A 69 -6.375 18.712 2.564 1.00 10.50 C ATOM 977 CZ2 TRP A 69 -8.230 16.584 2.421 1.00 15.30 C ATOM 978 CZ3 TRP A 69 -7.615 18.876 1.978 1.00 52.42 C ATOM 979 CH2 TRP A 69 -8.530 17.818 1.911 1.00 0.32 C ATOM 0 H TRP A 69 -5.383 17.419 6.089 1.00 44.23 H new ATOM 0 HA TRP A 69 -2.646 18.515 5.796 1.00 41.21 H new ATOM 0 HB2 TRP A 69 -3.422 18.406 3.280 1.00 3.13 H new ATOM 0 HB3 TRP A 69 -2.785 16.979 4.074 1.00 3.13 H new ATOM 0 HD1 TRP A 69 -4.485 14.954 4.541 1.00 43.01 H new ATOM 0 HE1 TRP A 69 -6.863 14.399 3.684 1.00 60.14 H new ATOM 0 HE3 TRP A 69 -5.677 19.535 2.613 1.00 10.50 H new ATOM 0 HZ2 TRP A 69 -8.937 15.769 2.367 1.00 15.30 H new ATOM 0 HZ3 TRP A 69 -7.884 19.837 1.564 1.00 52.42 H new ATOM 0 HH2 TRP A 69 -9.492 17.979 1.447 1.00 0.32 H new ATOM 990 N ASN A 70 -5.551 19.930 5.505 1.00 11.44 N ATOM 991 CA ASN A 70 -6.238 21.210 5.371 1.00 20.53 C ATOM 992 C ASN A 70 -6.584 21.786 6.740 1.00 4.53 C ATOM 993 O ASN A 70 -6.343 22.963 7.009 1.00 5.25 O ATOM 994 CB ASN A 70 -7.511 21.043 4.538 1.00 40.51 C ATOM 995 CG ASN A 70 -7.406 21.714 3.182 1.00 55.43 C ATOM 996 OD1 ASN A 70 -6.308 21.916 2.659 1.00 24.53 O ATOM 997 ND2 ASN A 70 -8.549 22.066 2.606 1.00 4.12 N ATOM 0 H ASN A 70 -6.146 19.163 5.818 1.00 11.44 H new ATOM 0 HA ASN A 70 -5.568 21.904 4.863 1.00 20.53 H new ATOM 0 HB2 ASN A 70 -7.715 19.981 4.400 1.00 40.51 H new ATOM 0 HB3 ASN A 70 -8.357 21.462 5.083 1.00 40.51 H new ATOM 0 HD21 ASN A 70 -8.541 22.523 1.694 1.00 4.12 H new ATOM 0 HD22 ASN A 70 -9.435 21.879 3.075 1.00 4.12 H new ATOM 1004 N GLY A 71 -7.152 20.949 7.603 1.00 63.00 N ATOM 1005 CA GLY A 71 -7.523 21.394 8.934 1.00 12.23 C ATOM 1006 C GLY A 71 -8.366 22.653 8.910 1.00 64.44 C ATOM 1007 O GLY A 71 -8.019 23.655 9.536 1.00 72.53 O ATOM 0 H GLY A 71 -7.362 19.971 7.404 1.00 63.00 H new ATOM 0 HA2 GLY A 71 -8.075 20.601 9.438 1.00 12.23 H new ATOM 0 HA3 GLY A 71 -6.621 21.576 9.518 1.00 12.23 H new ATOM 1011 N THR A 72 -9.479 22.605 8.184 1.00 23.30 N ATOM 1012 CA THR A 72 -10.374 23.750 8.079 1.00 62.25 C ATOM 1013 C THR A 72 -11.831 23.323 8.205 1.00 25.23 C ATOM 1014 O THR A 72 -12.460 22.927 7.222 1.00 22.24 O ATOM 1015 CB THR A 72 -10.181 24.493 6.743 1.00 24.30 C ATOM 1016 OG1 THR A 72 -11.241 25.436 6.550 1.00 44.34 O ATOM 1017 CG2 THR A 72 -10.149 23.513 5.580 1.00 50.42 C ATOM 0 H THR A 72 -9.782 21.784 7.660 1.00 23.30 H new ATOM 0 HA THR A 72 -10.124 24.423 8.900 1.00 62.25 H new ATOM 0 HB THR A 72 -9.228 25.021 6.779 1.00 24.30 H new ATOM 0 HG1 THR A 72 -11.111 25.905 5.700 1.00 44.34 H new ATOM 0 HG21 THR A 72 -10.012 24.060 4.647 1.00 50.42 H new ATOM 0 HG22 THR A 72 -9.324 22.814 5.716 1.00 50.42 H new ATOM 0 HG23 THR A 72 -11.089 22.962 5.543 1.00 50.42 H new ATOM 1025 N LEU A 73 -12.366 23.406 9.418 1.00 61.32 N ATOM 1026 CA LEU A 73 -13.752 23.029 9.671 1.00 34.20 C ATOM 1027 C LEU A 73 -14.433 24.040 10.588 1.00 50.11 C ATOM 1028 O LEU A 73 -13.768 24.801 11.291 1.00 61.34 O ATOM 1029 CB LEU A 73 -13.814 21.634 10.296 1.00 62.50 C ATOM 1030 CG LEU A 73 -15.156 20.909 10.185 1.00 24.53 C ATOM 1031 CD1 LEU A 73 -14.947 19.458 9.779 1.00 42.40 C ATOM 1032 CD2 LEU A 73 -15.918 20.992 11.500 1.00 20.22 C ATOM 0 H LEU A 73 -11.861 23.731 10.242 1.00 61.32 H new ATOM 0 HA LEU A 73 -14.280 23.018 8.718 1.00 34.20 H new ATOM 0 HB2 LEU A 73 -13.049 21.014 9.829 1.00 62.50 H new ATOM 0 HB3 LEU A 73 -13.555 21.719 11.351 1.00 62.50 H new ATOM 0 HG LEU A 73 -15.749 21.399 9.413 1.00 24.53 H new ATOM 0 HD11 LEU A 73 -15.913 18.958 9.705 1.00 42.40 H new ATOM 0 HD12 LEU A 73 -14.444 19.419 8.813 1.00 42.40 H new ATOM 0 HD13 LEU A 73 -14.335 18.955 10.528 1.00 42.40 H new ATOM 0 HD21 LEU A 73 -16.870 20.471 11.402 1.00 20.22 H new ATOM 0 HD22 LEU A 73 -15.330 20.528 12.291 1.00 20.22 H new ATOM 0 HD23 LEU A 73 -16.100 22.037 11.749 1.00 20.22 H new ATOM 1044 N ALA A 74 -15.761 24.040 10.578 1.00 3.35 N ATOM 1045 CA ALA A 74 -16.533 24.954 11.410 1.00 71.32 C ATOM 1046 C ALA A 74 -16.552 24.489 12.863 1.00 24.44 C ATOM 1047 O ALA A 74 -16.263 23.333 13.174 1.00 2.23 O ATOM 1048 CB ALA A 74 -17.952 25.086 10.877 1.00 14.33 C ATOM 0 H ALA A 74 -16.326 23.416 10.002 1.00 3.35 H new ATOM 0 HA ALA A 74 -16.053 25.932 11.374 1.00 71.32 H new ATOM 0 HB1 ALA A 74 -18.516 25.772 11.509 1.00 14.33 H new ATOM 0 HB2 ALA A 74 -17.923 25.472 9.858 1.00 14.33 H new ATOM 0 HB3 ALA A 74 -18.435 24.109 10.881 1.00 14.33 H new ATOM 1054 N PRO A 75 -16.902 25.409 13.775 1.00 13.23 N ATOM 1055 CA PRO A 75 -16.967 25.115 15.210 1.00 45.30 C ATOM 1056 C PRO A 75 -18.125 24.186 15.559 1.00 42.13 C ATOM 1057 O PRO A 75 -18.238 23.716 16.691 1.00 51.51 O ATOM 1058 CB PRO A 75 -17.176 26.492 15.844 1.00 62.44 C ATOM 1059 CG PRO A 75 -17.822 27.307 14.776 1.00 74.43 C ATOM 1060 CD PRO A 75 -17.260 26.805 13.476 1.00 54.43 C ATOM 0 HA PRO A 75 -16.073 24.600 15.562 1.00 45.30 H new ATOM 0 HB2 PRO A 75 -17.808 26.428 16.730 1.00 62.44 H new ATOM 0 HB3 PRO A 75 -16.229 26.931 16.159 1.00 62.44 H new ATOM 0 HG2 PRO A 75 -18.906 27.195 14.802 1.00 74.43 H new ATOM 0 HG3 PRO A 75 -17.608 28.367 14.910 1.00 74.43 H new ATOM 0 HD2 PRO A 75 -17.992 26.868 12.671 1.00 54.43 H new ATOM 0 HD3 PRO A 75 -16.391 27.384 13.163 1.00 54.43 H new ATOM 1068 N GLY A 76 -18.985 23.927 14.579 1.00 32.53 N ATOM 1069 CA GLY A 76 -20.124 23.054 14.803 1.00 52.24 C ATOM 1070 C GLY A 76 -20.475 22.232 13.579 1.00 72.45 C ATOM 1071 O GLY A 76 -20.858 22.778 12.545 1.00 53.12 O ATOM 0 H GLY A 76 -18.914 24.305 13.634 1.00 32.53 H new ATOM 0 HA2 GLY A 76 -19.907 22.385 15.636 1.00 52.24 H new ATOM 0 HA3 GLY A 76 -20.986 23.654 15.093 1.00 52.24 H new ATOM 1075 N ALA A 77 -20.342 20.915 13.695 1.00 32.54 N ATOM 1076 CA ALA A 77 -20.648 20.016 12.589 1.00 71.40 C ATOM 1077 C ALA A 77 -20.440 18.560 12.993 1.00 2.34 C ATOM 1078 O ALA A 77 -19.925 18.271 14.073 1.00 42.25 O ATOM 1079 CB ALA A 77 -19.793 20.357 11.379 1.00 41.53 C ATOM 0 H ALA A 77 -20.024 20.447 14.544 1.00 32.54 H new ATOM 0 HA ALA A 77 -21.698 20.147 12.326 1.00 71.40 H new ATOM 0 HB1 ALA A 77 -20.032 19.677 10.561 1.00 41.53 H new ATOM 0 HB2 ALA A 77 -19.994 21.383 11.069 1.00 41.53 H new ATOM 0 HB3 ALA A 77 -18.739 20.256 11.638 1.00 41.53 H new ATOM 1085 N SER A 78 -20.843 17.645 12.116 1.00 63.12 N ATOM 1086 CA SER A 78 -20.705 16.217 12.383 1.00 50.35 C ATOM 1087 C SER A 78 -20.081 15.501 11.190 1.00 14.03 C ATOM 1088 O SER A 78 -20.503 15.686 10.048 1.00 24.21 O ATOM 1089 CB SER A 78 -22.068 15.603 12.706 1.00 25.22 C ATOM 1090 OG SER A 78 -22.946 15.699 11.597 1.00 70.44 O ATOM 0 H SER A 78 -21.267 17.867 11.215 1.00 63.12 H new ATOM 0 HA SER A 78 -20.047 16.094 13.243 1.00 50.35 H new ATOM 0 HB2 SER A 78 -21.942 14.557 12.985 1.00 25.22 H new ATOM 0 HB3 SER A 78 -22.505 16.112 13.565 1.00 25.22 H new ATOM 0 HG SER A 78 -23.810 15.298 11.828 1.00 70.44 H new ATOM 1096 N VAL A 79 -19.072 14.680 11.462 1.00 33.52 N ATOM 1097 CA VAL A 79 -18.389 13.932 10.413 1.00 43.31 C ATOM 1098 C VAL A 79 -18.173 12.480 10.824 1.00 73.15 C ATOM 1099 O VAL A 79 -17.870 12.191 11.981 1.00 71.53 O ATOM 1100 CB VAL A 79 -17.028 14.565 10.069 1.00 2.32 C ATOM 1101 CG1 VAL A 79 -17.220 15.843 9.265 1.00 2.21 C ATOM 1102 CG2 VAL A 79 -16.232 14.838 11.336 1.00 33.01 C ATOM 0 H VAL A 79 -18.709 14.516 12.401 1.00 33.52 H new ATOM 0 HA VAL A 79 -19.030 13.965 9.532 1.00 43.31 H new ATOM 0 HB VAL A 79 -16.464 13.861 9.457 1.00 2.32 H new ATOM 0 HG11 VAL A 79 -16.247 16.276 9.032 1.00 2.21 H new ATOM 0 HG12 VAL A 79 -17.747 15.614 8.339 1.00 2.21 H new ATOM 0 HG13 VAL A 79 -17.803 16.556 9.848 1.00 2.21 H new ATOM 0 HG21 VAL A 79 -15.273 15.285 11.074 1.00 33.01 H new ATOM 0 HG22 VAL A 79 -16.789 15.523 11.975 1.00 33.01 H new ATOM 0 HG23 VAL A 79 -16.062 13.902 11.868 1.00 33.01 H new ATOM 1112 N SER A 80 -18.328 11.571 9.868 1.00 50.32 N ATOM 1113 CA SER A 80 -18.153 10.147 10.131 1.00 74.11 C ATOM 1114 C SER A 80 -17.279 9.501 9.059 1.00 62.32 C ATOM 1115 O SER A 80 -17.060 10.074 7.992 1.00 75.55 O ATOM 1116 CB SER A 80 -19.511 9.446 10.188 1.00 71.03 C ATOM 1117 OG SER A 80 -20.418 10.014 9.259 1.00 32.11 O ATOM 0 H SER A 80 -18.574 11.795 8.904 1.00 50.32 H new ATOM 0 HA SER A 80 -17.656 10.039 11.095 1.00 74.11 H new ATOM 0 HB2 SER A 80 -19.385 8.384 9.975 1.00 71.03 H new ATOM 0 HB3 SER A 80 -19.921 9.523 11.195 1.00 71.03 H new ATOM 0 HG SER A 80 -21.278 9.547 9.314 1.00 32.11 H new ATOM 1123 N PHE A 81 -16.784 8.303 9.353 1.00 3.04 N ATOM 1124 CA PHE A 81 -15.934 7.577 8.417 1.00 53.10 C ATOM 1125 C PHE A 81 -15.977 6.077 8.694 1.00 15.34 C ATOM 1126 O PHE A 81 -16.042 5.649 9.846 1.00 14.22 O ATOM 1127 CB PHE A 81 -14.492 8.083 8.507 1.00 4.44 C ATOM 1128 CG PHE A 81 -13.771 7.623 9.742 1.00 5.11 C ATOM 1129 CD1 PHE A 81 -13.094 6.416 9.755 1.00 33.53 C ATOM 1130 CD2 PHE A 81 -13.772 8.400 10.889 1.00 73.41 C ATOM 1131 CE1 PHE A 81 -12.429 5.990 10.890 1.00 10.11 C ATOM 1132 CE2 PHE A 81 -13.109 7.980 12.026 1.00 33.41 C ATOM 1133 CZ PHE A 81 -12.438 6.773 12.028 1.00 32.24 C ATOM 0 H PHE A 81 -16.957 7.815 10.232 1.00 3.04 H new ATOM 0 HA PHE A 81 -16.312 7.753 7.410 1.00 53.10 H new ATOM 0 HB2 PHE A 81 -13.942 7.746 7.628 1.00 4.44 H new ATOM 0 HB3 PHE A 81 -14.496 9.173 8.483 1.00 4.44 H new ATOM 0 HD1 PHE A 81 -13.085 5.800 8.868 1.00 33.53 H new ATOM 0 HD2 PHE A 81 -14.297 9.344 10.894 1.00 73.41 H new ATOM 0 HE1 PHE A 81 -11.903 5.047 10.887 1.00 10.11 H new ATOM 0 HE2 PHE A 81 -13.115 8.596 12.913 1.00 33.41 H new ATOM 0 HZ PHE A 81 -11.922 6.442 12.917 1.00 32.24 H new ATOM 1143 N GLY A 82 -15.940 5.283 7.627 1.00 73.41 N ATOM 1144 CA GLY A 82 -15.975 3.840 7.776 1.00 73.41 C ATOM 1145 C GLY A 82 -14.689 3.179 7.323 1.00 13.14 C ATOM 1146 O GLY A 82 -13.811 3.832 6.759 1.00 31.31 O ATOM 0 H GLY A 82 -15.886 5.614 6.664 1.00 73.41 H new ATOM 0 HA2 GLY A 82 -16.160 3.590 8.821 1.00 73.41 H new ATOM 0 HA3 GLY A 82 -16.809 3.439 7.200 1.00 73.41 H new ATOM 1150 N PHE A 83 -14.575 1.878 7.572 1.00 34.00 N ATOM 1151 CA PHE A 83 -13.385 1.127 7.188 1.00 51.24 C ATOM 1152 C PHE A 83 -13.608 -0.372 7.362 1.00 73.55 C ATOM 1153 O PHE A 83 -14.673 -0.805 7.797 1.00 73.11 O ATOM 1154 CB PHE A 83 -12.182 1.577 8.020 1.00 31.54 C ATOM 1155 CG PHE A 83 -12.188 1.036 9.422 1.00 22.31 C ATOM 1156 CD1 PHE A 83 -12.937 1.652 10.412 1.00 33.53 C ATOM 1157 CD2 PHE A 83 -11.446 -0.087 9.749 1.00 22.45 C ATOM 1158 CE1 PHE A 83 -12.944 1.156 11.703 1.00 43.50 C ATOM 1159 CE2 PHE A 83 -11.449 -0.587 11.038 1.00 3.54 C ATOM 1160 CZ PHE A 83 -12.200 0.036 12.016 1.00 34.35 C ATOM 0 H PHE A 83 -15.292 1.322 8.038 1.00 34.00 H new ATOM 0 HA PHE A 83 -13.184 1.326 6.135 1.00 51.24 H new ATOM 0 HB2 PHE A 83 -11.266 1.261 7.521 1.00 31.54 H new ATOM 0 HB3 PHE A 83 -12.164 2.666 8.059 1.00 31.54 H new ATOM 0 HD1 PHE A 83 -13.521 2.528 10.173 1.00 33.53 H new ATOM 0 HD2 PHE A 83 -10.858 -0.578 8.988 1.00 22.45 H new ATOM 0 HE1 PHE A 83 -13.531 1.645 12.466 1.00 43.50 H new ATOM 0 HE2 PHE A 83 -10.865 -1.463 11.280 1.00 3.54 H new ATOM 0 HZ PHE A 83 -12.205 -0.352 13.024 1.00 34.35 H new ATOM 1170 N ASN A 84 -12.592 -1.158 7.019 1.00 24.33 N ATOM 1171 CA ASN A 84 -12.677 -2.610 7.136 1.00 22.51 C ATOM 1172 C ASN A 84 -11.475 -3.165 7.894 1.00 73.35 C ATOM 1173 O ASN A 84 -10.381 -2.607 7.839 1.00 41.55 O ATOM 1174 CB ASN A 84 -12.760 -3.250 5.749 1.00 11.12 C ATOM 1175 CG ASN A 84 -12.326 -4.704 5.757 1.00 21.21 C ATOM 1176 OD1 ASN A 84 -12.980 -5.555 6.361 1.00 0.30 O ATOM 1177 ND2 ASN A 84 -11.219 -4.995 5.085 1.00 1.50 N ATOM 0 H ASN A 84 -11.702 -0.815 6.658 1.00 24.33 H new ATOM 0 HA ASN A 84 -13.581 -2.853 7.695 1.00 22.51 H new ATOM 0 HB2 ASN A 84 -13.783 -3.181 5.380 1.00 11.12 H new ATOM 0 HB3 ASN A 84 -12.133 -2.690 5.055 1.00 11.12 H new ATOM 0 HD21 ASN A 84 -10.879 -5.956 5.055 1.00 1.50 H new ATOM 0 HD22 ASN A 84 -10.709 -4.258 4.599 1.00 1.50 H new ATOM 1184 N GLY A 85 -11.688 -4.270 8.602 1.00 51.41 N ATOM 1185 CA GLY A 85 -10.613 -4.883 9.361 1.00 65.21 C ATOM 1186 C GLY A 85 -10.819 -6.372 9.558 1.00 34.14 C ATOM 1187 O GLY A 85 -11.934 -6.874 9.425 1.00 11.35 O ATOM 0 H GLY A 85 -12.585 -4.752 8.664 1.00 51.41 H new ATOM 0 HA2 GLY A 85 -9.667 -4.715 8.846 1.00 65.21 H new ATOM 0 HA3 GLY A 85 -10.537 -4.398 10.334 1.00 65.21 H new ATOM 1191 N SER A 86 -9.739 -7.080 9.874 1.00 71.52 N ATOM 1192 CA SER A 86 -9.804 -8.522 10.084 1.00 64.31 C ATOM 1193 C SER A 86 -9.709 -8.859 11.569 1.00 32.43 C ATOM 1194 O SER A 86 -8.653 -8.711 12.184 1.00 63.03 O ATOM 1195 CB SER A 86 -8.681 -9.221 9.317 1.00 22.15 C ATOM 1196 OG SER A 86 -7.599 -8.338 9.077 1.00 61.02 O ATOM 0 H SER A 86 -8.809 -6.679 9.990 1.00 71.52 H new ATOM 0 HA SER A 86 -10.764 -8.877 9.710 1.00 64.31 H new ATOM 0 HB2 SER A 86 -8.331 -10.083 9.884 1.00 22.15 H new ATOM 0 HB3 SER A 86 -9.064 -9.598 8.369 1.00 22.15 H new ATOM 0 HG SER A 86 -6.894 -8.810 8.587 1.00 61.02 H new ATOM 1202 N GLY A 87 -10.820 -9.315 12.139 1.00 2.24 N ATOM 1203 CA GLY A 87 -10.842 -9.667 13.547 1.00 12.53 C ATOM 1204 C GLY A 87 -12.226 -9.550 14.152 1.00 21.35 C ATOM 1205 O GLY A 87 -13.237 -9.556 13.449 1.00 23.14 O ATOM 0 H GLY A 87 -11.706 -9.447 11.651 1.00 2.24 H new ATOM 0 HA2 GLY A 87 -10.481 -10.688 13.669 1.00 12.53 H new ATOM 0 HA3 GLY A 87 -10.155 -9.019 14.091 1.00 12.53 H new ATOM 1209 N PRO A 88 -12.285 -9.443 15.487 1.00 62.41 N ATOM 1210 CA PRO A 88 -13.550 -9.323 16.217 1.00 24.23 C ATOM 1211 C PRO A 88 -14.232 -7.980 15.981 1.00 0.20 C ATOM 1212 O PRO A 88 -15.456 -7.901 15.890 1.00 5.32 O ATOM 1213 CB PRO A 88 -13.130 -9.459 17.683 1.00 12.33 C ATOM 1214 CG PRO A 88 -11.707 -9.018 17.710 1.00 71.03 C ATOM 1215 CD PRO A 88 -11.121 -9.429 16.388 1.00 15.11 C ATOM 0 HA PRO A 88 -14.276 -10.070 15.897 1.00 24.23 H new ATOM 0 HB2 PRO A 88 -13.749 -8.839 18.332 1.00 12.33 H new ATOM 0 HB3 PRO A 88 -13.233 -10.487 18.031 1.00 12.33 H new ATOM 0 HG2 PRO A 88 -11.635 -7.939 17.850 1.00 71.03 H new ATOM 0 HG3 PRO A 88 -11.170 -9.483 18.537 1.00 71.03 H new ATOM 0 HD2 PRO A 88 -10.360 -8.726 16.050 1.00 15.11 H new ATOM 0 HD3 PRO A 88 -10.646 -10.409 16.446 1.00 15.11 H new ATOM 1223 N GLY A 89 -13.429 -6.924 15.883 1.00 72.35 N ATOM 1224 CA GLY A 89 -13.974 -5.597 15.659 1.00 75.13 C ATOM 1225 C GLY A 89 -14.330 -4.891 16.951 1.00 65.05 C ATOM 1226 O GLY A 89 -15.211 -4.031 16.974 1.00 45.25 O ATOM 0 H GLY A 89 -12.412 -6.964 15.955 1.00 72.35 H new ATOM 0 HA2 GLY A 89 -13.248 -4.998 15.109 1.00 75.13 H new ATOM 0 HA3 GLY A 89 -14.863 -5.674 15.034 1.00 75.13 H new ATOM 1230 N SER A 90 -13.646 -5.253 18.032 1.00 62.10 N ATOM 1231 CA SER A 90 -13.901 -4.652 19.335 1.00 51.45 C ATOM 1232 C SER A 90 -12.718 -3.795 19.777 1.00 74.44 C ATOM 1233 O SER A 90 -11.893 -4.203 20.596 1.00 3.15 O ATOM 1234 CB SER A 90 -14.175 -5.737 20.377 1.00 31.25 C ATOM 1235 OG SER A 90 -15.537 -6.130 20.359 1.00 42.44 O ATOM 0 H SER A 90 -12.911 -5.960 18.031 1.00 62.10 H new ATOM 0 HA SER A 90 -14.780 -4.013 19.247 1.00 51.45 H new ATOM 0 HB2 SER A 90 -13.541 -6.602 20.181 1.00 31.25 H new ATOM 0 HB3 SER A 90 -13.913 -5.368 21.369 1.00 31.25 H new ATOM 0 HG SER A 90 -15.686 -6.826 21.033 1.00 42.44 H new ATOM 1241 N PRO A 91 -12.633 -2.575 19.225 1.00 11.34 N ATOM 1242 CA PRO A 91 -11.557 -1.634 19.547 1.00 34.01 C ATOM 1243 C PRO A 91 -11.667 -1.090 20.967 1.00 65.31 C ATOM 1244 O PRO A 91 -12.689 -1.266 21.631 1.00 5.41 O ATOM 1245 CB PRO A 91 -11.751 -0.510 18.526 1.00 12.12 C ATOM 1246 CG PRO A 91 -13.195 -0.571 18.168 1.00 4.34 C ATOM 1247 CD PRO A 91 -13.581 -2.022 18.243 1.00 74.41 C ATOM 0 HA PRO A 91 -10.576 -2.106 19.500 1.00 34.01 H new ATOM 0 HB2 PRO A 91 -11.488 0.459 18.949 1.00 12.12 H new ATOM 0 HB3 PRO A 91 -11.119 -0.657 17.650 1.00 12.12 H new ATOM 0 HG2 PRO A 91 -13.793 0.028 18.855 1.00 4.34 H new ATOM 0 HG3 PRO A 91 -13.366 -0.173 17.168 1.00 4.34 H new ATOM 0 HD2 PRO A 91 -14.614 -2.147 18.567 1.00 74.41 H new ATOM 0 HD3 PRO A 91 -13.489 -2.513 17.274 1.00 74.41 H new ATOM 1255 N SER A 92 -10.611 -0.427 21.426 1.00 62.23 N ATOM 1256 CA SER A 92 -10.589 0.140 22.769 1.00 63.13 C ATOM 1257 C SER A 92 -9.779 1.433 22.800 1.00 10.14 C ATOM 1258 O SER A 92 -9.103 1.777 21.832 1.00 11.01 O ATOM 1259 CB SER A 92 -10.003 -0.866 23.761 1.00 62.31 C ATOM 1260 OG SER A 92 -10.450 -2.181 23.478 1.00 54.13 O ATOM 0 H SER A 92 -9.759 -0.269 20.888 1.00 62.23 H new ATOM 0 HA SER A 92 -11.615 0.368 23.057 1.00 63.13 H new ATOM 0 HB2 SER A 92 -8.914 -0.832 23.718 1.00 62.31 H new ATOM 0 HB3 SER A 92 -10.291 -0.591 24.776 1.00 62.31 H new ATOM 0 HG SER A 92 -10.060 -2.805 24.125 1.00 54.13 H new ATOM 1266 N ASN A 93 -9.853 2.143 23.920 1.00 53.34 N ATOM 1267 CA ASN A 93 -9.128 3.398 24.079 1.00 54.44 C ATOM 1268 C ASN A 93 -9.584 4.425 23.047 1.00 2.32 C ATOM 1269 O ASN A 93 -8.765 5.111 22.434 1.00 40.23 O ATOM 1270 CB ASN A 93 -7.622 3.161 23.946 1.00 73.24 C ATOM 1271 CG ASN A 93 -6.819 3.967 24.950 1.00 52.04 C ATOM 1272 OD1 ASN A 93 -7.116 5.135 25.204 1.00 53.44 O ATOM 1273 ND2 ASN A 93 -5.797 3.346 25.526 1.00 11.31 N ATOM 0 H ASN A 93 -10.408 1.871 24.731 1.00 53.34 H new ATOM 0 HA ASN A 93 -9.342 3.789 25.074 1.00 54.44 H new ATOM 0 HB2 ASN A 93 -7.410 2.101 24.083 1.00 73.24 H new ATOM 0 HB3 ASN A 93 -7.304 3.422 22.937 1.00 73.24 H new ATOM 0 HD21 ASN A 93 -5.221 3.838 26.210 1.00 11.31 H new ATOM 0 HD22 ASN A 93 -5.587 2.377 25.285 1.00 11.31 H new ATOM 1280 N CYS A 94 -10.896 4.524 22.859 1.00 55.12 N ATOM 1281 CA CYS A 94 -11.462 5.466 21.901 1.00 63.23 C ATOM 1282 C CYS A 94 -11.173 6.905 22.318 1.00 43.30 C ATOM 1283 O CYS A 94 -11.933 7.508 23.076 1.00 34.54 O ATOM 1284 CB CYS A 94 -12.971 5.253 21.774 1.00 71.40 C ATOM 1285 SG CYS A 94 -13.451 3.533 21.489 1.00 23.13 S ATOM 0 H CYS A 94 -11.587 3.963 23.358 1.00 55.12 H new ATOM 0 HA CYS A 94 -10.995 5.286 20.933 1.00 63.23 H new ATOM 0 HB2 CYS A 94 -13.455 5.608 22.684 1.00 71.40 H new ATOM 0 HB3 CYS A 94 -13.346 5.865 20.953 1.00 71.40 H new ATOM 0 HG CYS A 94 -13.913 3.406 20.281 1.00 23.13 H new ATOM 1291 N LYS A 95 -10.070 7.450 21.817 1.00 62.31 N ATOM 1292 CA LYS A 95 -9.680 8.818 22.136 1.00 53.22 C ATOM 1293 C LYS A 95 -9.521 9.649 20.867 1.00 41.03 C ATOM 1294 O LYS A 95 -9.067 9.148 19.837 1.00 61.21 O ATOM 1295 CB LYS A 95 -8.371 8.825 22.930 1.00 30.24 C ATOM 1296 CG LYS A 95 -7.179 8.309 22.141 1.00 61.33 C ATOM 1297 CD LYS A 95 -6.610 7.041 22.757 1.00 0.40 C ATOM 1298 CE LYS A 95 -5.335 7.324 23.536 1.00 61.42 C ATOM 1299 NZ LYS A 95 -4.457 6.124 23.617 1.00 13.53 N ATOM 0 H LYS A 95 -9.430 6.965 21.188 1.00 62.31 H new ATOM 0 HA LYS A 95 -10.469 9.262 22.743 1.00 53.22 H new ATOM 0 HB2 LYS A 95 -8.163 9.842 23.263 1.00 30.24 H new ATOM 0 HB3 LYS A 95 -8.495 8.215 23.825 1.00 30.24 H new ATOM 0 HG2 LYS A 95 -7.480 8.112 21.112 1.00 61.33 H new ATOM 0 HG3 LYS A 95 -6.405 9.076 22.105 1.00 61.33 H new ATOM 0 HD2 LYS A 95 -7.351 6.593 23.419 1.00 0.40 H new ATOM 0 HD3 LYS A 95 -6.404 6.314 21.971 1.00 0.40 H new ATOM 0 HE2 LYS A 95 -4.792 8.140 23.059 1.00 61.42 H new ATOM 0 HE3 LYS A 95 -5.590 7.656 24.542 1.00 61.42 H new ATOM 0 HZ1 LYS A 95 -4.039 6.063 24.567 1.00 13.53 H new ATOM 0 HZ2 LYS A 95 -5.019 5.269 23.431 1.00 13.53 H new ATOM 0 HZ3 LYS A 95 -3.699 6.200 22.909 1.00 13.53 H new ATOM 1313 N LEU A 96 -9.896 10.921 20.948 1.00 12.52 N ATOM 1314 CA LEU A 96 -9.794 11.823 19.805 1.00 34.10 C ATOM 1315 C LEU A 96 -9.776 13.278 20.260 1.00 54.03 C ATOM 1316 O LEU A 96 -10.270 13.608 21.338 1.00 73.31 O ATOM 1317 CB LEU A 96 -10.959 11.591 18.842 1.00 42.24 C ATOM 1318 CG LEU A 96 -12.345 11.979 19.360 1.00 12.20 C ATOM 1319 CD1 LEU A 96 -12.631 13.445 19.073 1.00 53.23 C ATOM 1320 CD2 LEU A 96 -13.414 11.094 18.736 1.00 21.22 C ATOM 0 H LEU A 96 -10.273 11.351 21.792 1.00 12.52 H new ATOM 0 HA LEU A 96 -8.857 11.612 19.289 1.00 34.10 H new ATOM 0 HB2 LEU A 96 -10.765 12.151 17.927 1.00 42.24 H new ATOM 0 HB3 LEU A 96 -10.976 10.535 18.572 1.00 42.24 H new ATOM 0 HG LEU A 96 -12.363 11.831 20.440 1.00 12.20 H new ATOM 0 HD11 LEU A 96 -13.621 13.703 19.449 1.00 53.23 H new ATOM 0 HD12 LEU A 96 -11.883 14.065 19.567 1.00 53.23 H new ATOM 0 HD13 LEU A 96 -12.594 13.619 17.998 1.00 53.23 H new ATOM 0 HD21 LEU A 96 -14.394 11.384 19.116 1.00 21.22 H new ATOM 0 HD22 LEU A 96 -13.396 11.211 17.652 1.00 21.22 H new ATOM 0 HD23 LEU A 96 -13.219 10.053 18.992 1.00 21.22 H new ATOM 1332 N ASN A 97 -9.206 14.146 19.430 1.00 34.41 N ATOM 1333 CA ASN A 97 -9.126 15.567 19.747 1.00 44.30 C ATOM 1334 C ASN A 97 -8.248 15.803 20.971 1.00 71.24 C ATOM 1335 O ASN A 97 -8.617 16.548 21.879 1.00 21.23 O ATOM 1336 CB ASN A 97 -10.525 16.136 19.990 1.00 23.30 C ATOM 1337 CG ASN A 97 -10.567 17.646 19.857 1.00 15.53 C ATOM 1338 OD1 ASN A 97 -10.448 18.372 20.844 1.00 14.44 O ATOM 1339 ND2 ASN A 97 -10.737 18.126 18.630 1.00 3.32 N ATOM 0 H ASN A 97 -8.793 13.890 18.533 1.00 34.41 H new ATOM 0 HA ASN A 97 -8.676 16.079 18.896 1.00 44.30 H new ATOM 0 HB2 ASN A 97 -11.223 15.692 19.280 1.00 23.30 H new ATOM 0 HB3 ASN A 97 -10.861 15.852 20.987 1.00 23.30 H new ATOM 0 HD21 ASN A 97 -10.773 19.134 18.477 1.00 3.32 H new ATOM 0 HD22 ASN A 97 -10.831 17.487 17.841 1.00 3.32 H new ATOM 1346 N GLY A 98 -7.083 15.164 20.990 1.00 35.11 N ATOM 1347 CA GLY A 98 -6.170 15.317 22.108 1.00 65.33 C ATOM 1348 C GLY A 98 -6.663 14.618 23.359 1.00 63.24 C ATOM 1349 O GLY A 98 -6.566 15.159 24.460 1.00 35.22 O ATOM 0 H GLY A 98 -6.755 14.543 20.251 1.00 35.11 H new ATOM 0 HA2 GLY A 98 -5.194 14.918 21.833 1.00 65.33 H new ATOM 0 HA3 GLY A 98 -6.033 16.378 22.318 1.00 65.33 H new ATOM 1353 N GLY A 99 -7.198 13.412 23.190 1.00 72.55 N ATOM 1354 CA GLY A 99 -7.703 12.660 24.325 1.00 10.52 C ATOM 1355 C GLY A 99 -9.028 13.193 24.831 1.00 63.41 C ATOM 1356 O GLY A 99 -9.110 13.722 25.940 1.00 33.43 O ATOM 0 H GLY A 99 -7.291 12.943 22.289 1.00 72.55 H new ATOM 0 HA2 GLY A 99 -7.820 11.614 24.041 1.00 10.52 H new ATOM 0 HA3 GLY A 99 -6.971 12.691 25.132 1.00 10.52 H new ATOM 1360 N SER A 100 -10.070 13.055 24.016 1.00 42.34 N ATOM 1361 CA SER A 100 -11.397 13.534 24.386 1.00 33.42 C ATOM 1362 C SER A 100 -12.478 12.781 23.616 1.00 20.22 C ATOM 1363 O SER A 100 -12.642 12.969 22.410 1.00 31.01 O ATOM 1364 CB SER A 100 -11.515 15.034 24.118 1.00 4.31 C ATOM 1365 OG SER A 100 -10.581 15.766 24.893 1.00 43.14 O ATOM 0 H SER A 100 -10.021 12.616 23.097 1.00 42.34 H new ATOM 0 HA SER A 100 -11.539 13.352 25.451 1.00 33.42 H new ATOM 0 HB2 SER A 100 -11.348 15.232 23.059 1.00 4.31 H new ATOM 0 HB3 SER A 100 -12.526 15.369 24.349 1.00 4.31 H new ATOM 0 HG SER A 100 -10.065 15.149 25.452 1.00 43.14 H new ATOM 1371 N CYS A 101 -13.214 11.928 24.322 1.00 52.52 N ATOM 1372 CA CYS A 101 -14.280 11.146 23.706 1.00 72.24 C ATOM 1373 C CYS A 101 -15.078 10.389 24.763 1.00 2.53 C ATOM 1374 O CYS A 101 -14.565 9.473 25.405 1.00 52.14 O ATOM 1375 CB CYS A 101 -13.697 10.164 22.689 1.00 73.13 C ATOM 1376 SG CYS A 101 -14.910 9.020 21.990 1.00 33.12 S ATOM 0 H CYS A 101 -13.092 11.761 25.321 1.00 52.52 H new ATOM 0 HA CYS A 101 -14.952 11.833 23.192 1.00 72.24 H new ATOM 0 HB2 CYS A 101 -13.236 10.728 21.878 1.00 73.13 H new ATOM 0 HB3 CYS A 101 -12.905 9.589 23.168 1.00 73.13 H new ATOM 0 HG CYS A 101 -16.030 9.647 21.785 1.00 33.12 H new