USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 840 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 34 HIS : no HE2:sc= -1.73! X(o=0.47!,f=0.86) USER MOD Set 1.2: A 62 THR OG1 : rot 97:sc= 1.31 USER MOD Set 1.3: A 63 HIS : no HD1:sc= 0.889 K(o=0.47,f=-2.7) USER MOD Set 2.1: A 52 TYR OH : rot 130:sc= 0.0832 USER MOD Set 2.2: A 72 ASN : amide:sc= 0.0743 K(o=0.16,f=1.1) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 59 TYR OH : rot 110:sc= -0.158 USER MOD Single : A 3 THR OG1 : rot 144:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 9 TYR OH : rot 3:sc= 0.233 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -90:sc= -2.86! USER MOD Single : A 15 ASN : amide:sc= 1.15 K(o=1.2,f=-0.016) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0156 (180deg=-0.159) USER MOD Single : A 19 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.014) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00346 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -3.33! (180deg=-3.86!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0013 K(o=-0.0013,f=-0.54) USER MOD Single : A 28 TYR OH : rot 74:sc= 0.186 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -1.76 K(o=-1.8,f=0.21) USER MOD Single : A 41 HIS : no HD1:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 2.17 (180deg=1.66) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.12) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 53 GLN : amide:sc= -2.57 K(o=-2.6,f=-0.59) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 1.16 (180deg=0.757) USER MOD Single : A 57 ASN : amide:sc= -2.18 K(o=-2.2,f=-6.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.12 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= -0.0195 (180deg=-0.221) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0216 USER MOD Single : A 77 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.5!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 87 TYR OH : rot 30:sc= -2.36! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 93 THR OG1 : rot 52:sc= 0.281 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00181 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 3.949 7.080 12.624 1.00 44.42 N ATOM 21 CA ILE A 2 4.046 5.692 12.206 1.00 44.12 C ATOM 22 C ILE A 2 4.596 5.607 10.782 1.00 74.33 C ATOM 23 O ILE A 2 4.328 6.472 9.940 1.00 33.35 O ATOM 24 CB ILE A 2 2.681 4.961 12.304 1.00 12.21 C ATOM 25 CG1 ILE A 2 2.856 3.452 12.109 1.00 63.32 C ATOM 26 CG2 ILE A 2 1.689 5.512 11.289 1.00 30.32 C ATOM 27 CD1 ILE A 2 3.701 2.794 13.181 1.00 1.23 C ATOM 0 HA ILE A 2 4.734 5.190 12.886 1.00 44.12 H new ATOM 0 HB ILE A 2 2.282 5.138 13.303 1.00 12.21 H new ATOM 0 HG12 ILE A 2 1.874 2.980 12.093 1.00 63.32 H new ATOM 0 HG13 ILE A 2 3.313 3.271 11.136 1.00 63.32 H new ATOM 0 HG21 ILE A 2 0.742 4.981 11.381 1.00 30.32 H new ATOM 0 HG22 ILE A 2 1.529 6.574 11.476 1.00 30.32 H new ATOM 0 HG23 ILE A 2 2.085 5.376 10.283 1.00 30.32 H new ATOM 0 HD11 ILE A 2 3.781 1.726 12.977 1.00 1.23 H new ATOM 0 HD12 ILE A 2 4.696 3.238 13.184 1.00 1.23 H new ATOM 0 HD13 ILE A 2 3.234 2.943 14.155 1.00 1.23 H new ATOM 39 N THR A 3 5.394 4.583 10.535 1.00 21.12 N ATOM 40 CA THR A 3 5.977 4.354 9.228 1.00 61.25 C ATOM 41 C THR A 3 4.947 3.771 8.263 1.00 54.13 C ATOM 42 O THR A 3 4.017 3.077 8.680 1.00 14.10 O ATOM 43 CB THR A 3 7.188 3.418 9.352 1.00 34.43 C ATOM 44 OG1 THR A 3 7.021 2.573 10.500 1.00 34.40 O ATOM 45 CG2 THR A 3 8.478 4.211 9.489 1.00 42.22 C ATOM 0 H THR A 3 5.655 3.889 11.235 1.00 21.12 H new ATOM 0 HA THR A 3 6.308 5.311 8.825 1.00 61.25 H new ATOM 0 HB THR A 3 7.251 2.812 8.448 1.00 34.43 H new ATOM 0 HG1 THR A 3 7.377 1.681 10.304 1.00 34.40 H new ATOM 0 HG21 THR A 3 9.320 3.524 9.575 1.00 42.22 H new ATOM 0 HG22 THR A 3 8.613 4.842 8.610 1.00 42.22 H new ATOM 0 HG23 THR A 3 8.428 4.837 10.380 1.00 42.22 H new ATOM 53 N PHE A 4 5.121 4.063 6.978 1.00 60.11 N ATOM 54 CA PHE A 4 4.171 3.661 5.945 1.00 12.14 C ATOM 55 C PHE A 4 3.984 2.147 5.921 1.00 3.33 C ATOM 56 O PHE A 4 2.856 1.656 5.893 1.00 53.22 O ATOM 57 CB PHE A 4 4.654 4.167 4.582 1.00 22.44 C ATOM 58 CG PHE A 4 3.745 3.820 3.434 1.00 30.02 C ATOM 59 CD1 PHE A 4 2.372 3.979 3.539 1.00 3.22 C ATOM 60 CD2 PHE A 4 4.269 3.343 2.244 1.00 70.02 C ATOM 61 CE1 PHE A 4 1.541 3.666 2.482 1.00 21.14 C ATOM 62 CE2 PHE A 4 3.442 3.030 1.183 1.00 14.43 C ATOM 63 CZ PHE A 4 2.077 3.190 1.301 1.00 20.14 C ATOM 0 H PHE A 4 5.923 4.584 6.623 1.00 60.11 H new ATOM 0 HA PHE A 4 3.202 4.105 6.172 1.00 12.14 H new ATOM 0 HB2 PHE A 4 4.764 5.250 4.628 1.00 22.44 H new ATOM 0 HB3 PHE A 4 5.643 3.754 4.384 1.00 22.44 H new ATOM 0 HD1 PHE A 4 1.947 4.352 4.459 1.00 3.22 H new ATOM 0 HD2 PHE A 4 5.337 3.214 2.145 1.00 70.02 H new ATOM 0 HE1 PHE A 4 0.473 3.793 2.578 1.00 21.14 H new ATOM 0 HE2 PHE A 4 3.864 2.660 0.260 1.00 14.43 H new ATOM 0 HZ PHE A 4 1.429 2.944 0.473 1.00 20.14 H new ATOM 73 N ALA A 5 5.090 1.416 5.954 1.00 1.14 N ATOM 74 CA ALA A 5 5.046 -0.042 5.912 1.00 4.11 C ATOM 75 C ALA A 5 4.298 -0.607 7.117 1.00 30.04 C ATOM 76 O ALA A 5 3.389 -1.428 6.972 1.00 1.04 O ATOM 77 CB ALA A 5 6.456 -0.607 5.850 1.00 31.31 C ATOM 0 H ALA A 5 6.030 1.808 6.010 1.00 1.14 H new ATOM 0 HA ALA A 5 4.505 -0.340 5.013 1.00 4.11 H new ATOM 0 HB1 ALA A 5 6.411 -1.696 5.819 1.00 31.31 H new ATOM 0 HB2 ALA A 5 6.956 -0.239 4.954 1.00 31.31 H new ATOM 0 HB3 ALA A 5 7.013 -0.292 6.732 1.00 31.31 H new ATOM 83 N ASP A 6 4.677 -0.145 8.303 1.00 14.11 N ATOM 84 CA ASP A 6 4.069 -0.609 9.546 1.00 41.11 C ATOM 85 C ASP A 6 2.589 -0.277 9.583 1.00 51.12 C ATOM 86 O ASP A 6 1.768 -1.115 9.954 1.00 11.32 O ATOM 87 CB ASP A 6 4.759 0.024 10.755 1.00 51.42 C ATOM 88 CG ASP A 6 6.201 -0.406 10.893 1.00 31.31 C ATOM 89 OD1 ASP A 6 7.030 0.004 10.052 1.00 61.13 O ATOM 90 OD2 ASP A 6 6.518 -1.151 11.840 1.00 4.51 O ATOM 0 H ASP A 6 5.407 0.555 8.431 1.00 14.11 H new ATOM 0 HA ASP A 6 4.192 -1.691 9.588 1.00 41.11 H new ATOM 0 HB2 ASP A 6 4.714 1.110 10.667 1.00 51.42 H new ATOM 0 HB3 ASP A 6 4.215 -0.245 11.661 1.00 51.42 H new ATOM 95 N TYR A 7 2.253 0.951 9.198 1.00 4.04 N ATOM 96 CA TYR A 7 0.867 1.394 9.190 1.00 62.11 C ATOM 97 C TYR A 7 0.045 0.549 8.232 1.00 3.35 C ATOM 98 O TYR A 7 -1.033 0.079 8.587 1.00 51.33 O ATOM 99 CB TYR A 7 0.762 2.872 8.791 1.00 14.51 C ATOM 100 CG TYR A 7 -0.654 3.416 8.840 1.00 4.11 C ATOM 101 CD1 TYR A 7 -1.159 3.981 10.003 1.00 4.44 C ATOM 102 CD2 TYR A 7 -1.485 3.366 7.724 1.00 32.33 C ATOM 103 CE1 TYR A 7 -2.447 4.476 10.056 1.00 63.11 C ATOM 104 CE2 TYR A 7 -2.774 3.860 7.769 1.00 33.44 C ATOM 105 CZ TYR A 7 -3.252 4.414 8.939 1.00 35.22 C ATOM 106 OH TYR A 7 -4.537 4.906 8.989 1.00 73.13 O ATOM 0 H TYR A 7 2.923 1.655 8.888 1.00 4.04 H new ATOM 0 HA TYR A 7 0.475 1.277 10.201 1.00 62.11 H new ATOM 0 HB2 TYR A 7 1.393 3.464 9.454 1.00 14.51 H new ATOM 0 HB3 TYR A 7 1.155 2.996 7.782 1.00 14.51 H new ATOM 0 HD1 TYR A 7 -0.534 4.034 10.882 1.00 4.44 H new ATOM 0 HD2 TYR A 7 -1.115 2.933 6.806 1.00 32.33 H new ATOM 0 HE1 TYR A 7 -2.823 4.911 10.971 1.00 63.11 H new ATOM 0 HE2 TYR A 7 -3.404 3.813 6.893 1.00 33.44 H new ATOM 0 HH TYR A 7 -4.968 4.786 8.117 1.00 73.13 H new ATOM 116 N PHE A 8 0.569 0.349 7.026 1.00 14.32 N ATOM 117 CA PHE A 8 -0.150 -0.369 5.980 1.00 33.03 C ATOM 118 C PHE A 8 -0.557 -1.767 6.436 1.00 14.04 C ATOM 119 O PHE A 8 -1.731 -2.137 6.354 1.00 55.22 O ATOM 120 CB PHE A 8 0.703 -0.464 4.711 1.00 31.12 C ATOM 121 CG PHE A 8 0.028 -1.203 3.586 1.00 14.52 C ATOM 122 CD1 PHE A 8 -0.939 -0.581 2.809 1.00 51.24 C ATOM 123 CD2 PHE A 8 0.361 -2.520 3.307 1.00 72.10 C ATOM 124 CE1 PHE A 8 -1.558 -1.260 1.777 1.00 32.23 C ATOM 125 CE2 PHE A 8 -0.256 -3.202 2.276 1.00 13.04 C ATOM 126 CZ PHE A 8 -1.217 -2.571 1.510 1.00 12.01 C ATOM 0 H PHE A 8 1.494 0.677 6.749 1.00 14.32 H new ATOM 0 HA PHE A 8 -1.058 0.194 5.762 1.00 33.03 H new ATOM 0 HB2 PHE A 8 0.953 0.542 4.375 1.00 31.12 H new ATOM 0 HB3 PHE A 8 1.642 -0.963 4.951 1.00 31.12 H new ATOM 0 HD1 PHE A 8 -1.211 0.444 3.013 1.00 51.24 H new ATOM 0 HD2 PHE A 8 1.111 -3.018 3.903 1.00 72.10 H new ATOM 0 HE1 PHE A 8 -2.309 -0.765 1.179 1.00 32.23 H new ATOM 0 HE2 PHE A 8 0.013 -4.227 2.069 1.00 13.04 H new ATOM 0 HZ PHE A 8 -1.701 -3.102 0.704 1.00 12.01 H new ATOM 136 N TYR A 9 0.403 -2.539 6.927 1.00 24.41 N ATOM 137 CA TYR A 9 0.116 -3.913 7.302 1.00 63.02 C ATOM 138 C TYR A 9 -0.727 -3.973 8.568 1.00 71.31 C ATOM 139 O TYR A 9 -1.619 -4.807 8.676 1.00 25.15 O ATOM 140 CB TYR A 9 1.391 -4.734 7.485 1.00 12.14 C ATOM 141 CG TYR A 9 1.099 -6.214 7.579 1.00 62.21 C ATOM 142 CD1 TYR A 9 1.005 -6.988 6.432 1.00 41.34 C ATOM 143 CD2 TYR A 9 0.892 -6.829 8.806 1.00 63.25 C ATOM 144 CE1 TYR A 9 0.711 -8.334 6.501 1.00 53.53 C ATOM 145 CE2 TYR A 9 0.602 -8.176 8.886 1.00 34.40 C ATOM 146 CZ TYR A 9 0.510 -8.925 7.728 1.00 52.50 C ATOM 147 OH TYR A 9 0.215 -10.268 7.791 1.00 72.12 O ATOM 0 H TYR A 9 1.368 -2.243 7.072 1.00 24.41 H new ATOM 0 HA TYR A 9 -0.451 -4.350 6.480 1.00 63.02 H new ATOM 0 HB2 TYR A 9 2.065 -4.549 6.649 1.00 12.14 H new ATOM 0 HB3 TYR A 9 1.907 -4.408 8.388 1.00 12.14 H new ATOM 0 HD1 TYR A 9 1.165 -6.529 5.468 1.00 41.34 H new ATOM 0 HD2 TYR A 9 0.959 -6.245 9.712 1.00 63.25 H new ATOM 0 HE1 TYR A 9 0.639 -8.921 5.597 1.00 53.53 H new ATOM 0 HE2 TYR A 9 0.448 -8.642 9.848 1.00 34.40 H new ATOM 0 HH TYR A 9 0.232 -10.649 6.888 1.00 72.12 H new ATOM 157 N GLN A 10 -0.452 -3.091 9.521 1.00 63.20 N ATOM 158 CA GLN A 10 -1.218 -3.057 10.763 1.00 43.31 C ATOM 159 C GLN A 10 -2.672 -2.698 10.470 1.00 63.22 C ATOM 160 O GLN A 10 -3.598 -3.314 10.997 1.00 3.22 O ATOM 161 CB GLN A 10 -0.609 -2.046 11.735 1.00 53.24 C ATOM 162 CG GLN A 10 -1.342 -1.939 13.061 1.00 43.20 C ATOM 163 CD GLN A 10 -0.716 -0.912 13.981 1.00 60.20 C ATOM 164 OE1 GLN A 10 0.159 -1.233 14.782 1.00 45.41 O ATOM 165 NE2 GLN A 10 -1.148 0.333 13.864 1.00 73.45 N ATOM 0 H GLN A 10 0.290 -2.394 9.460 1.00 63.20 H new ATOM 0 HA GLN A 10 -1.184 -4.044 11.223 1.00 43.31 H new ATOM 0 HB2 GLN A 10 0.428 -2.322 11.927 1.00 53.24 H new ATOM 0 HB3 GLN A 10 -0.595 -1.065 11.260 1.00 53.24 H new ATOM 0 HG2 GLN A 10 -2.383 -1.673 12.878 1.00 43.20 H new ATOM 0 HG3 GLN A 10 -1.343 -2.912 13.553 1.00 43.20 H new ATOM 0 HE21 GLN A 10 -1.876 0.559 13.187 1.00 73.45 H new ATOM 0 HE22 GLN A 10 -0.753 1.067 14.451 1.00 73.45 H new ATOM 174 N TRP A 11 -2.850 -1.698 9.615 1.00 2.45 N ATOM 175 CA TRP A 11 -4.165 -1.298 9.127 1.00 0.01 C ATOM 176 C TRP A 11 -4.904 -2.506 8.557 1.00 12.34 C ATOM 177 O TRP A 11 -6.082 -2.730 8.841 1.00 73.13 O ATOM 178 CB TRP A 11 -3.981 -0.214 8.059 1.00 22.44 C ATOM 179 CG TRP A 11 -5.218 0.147 7.295 1.00 50.52 C ATOM 180 CD1 TRP A 11 -6.235 0.958 7.705 1.00 11.33 C ATOM 181 CD2 TRP A 11 -5.545 -0.270 5.963 1.00 11.04 C ATOM 182 NE1 TRP A 11 -7.176 1.068 6.711 1.00 5.22 N ATOM 183 CE2 TRP A 11 -6.776 0.320 5.632 1.00 14.40 C ATOM 184 CE3 TRP A 11 -4.912 -1.090 5.018 1.00 2.04 C ATOM 185 CZ2 TRP A 11 -7.390 0.117 4.398 1.00 10.14 C ATOM 186 CZ3 TRP A 11 -5.525 -1.290 3.795 1.00 25.31 C ATOM 187 CH2 TRP A 11 -6.751 -0.688 3.494 1.00 23.13 C ATOM 0 H TRP A 11 -2.084 -1.139 9.239 1.00 2.45 H new ATOM 0 HA TRP A 11 -4.763 -0.899 9.946 1.00 0.01 H new ATOM 0 HB2 TRP A 11 -3.595 0.685 8.540 1.00 22.44 H new ATOM 0 HB3 TRP A 11 -3.222 -0.548 7.352 1.00 22.44 H new ATOM 0 HD1 TRP A 11 -6.292 1.442 8.669 1.00 11.33 H new ATOM 0 HE1 TRP A 11 -8.034 1.617 6.766 1.00 5.22 H new ATOM 0 HE3 TRP A 11 -3.964 -1.556 5.241 1.00 2.04 H new ATOM 0 HZ2 TRP A 11 -8.337 0.579 4.163 1.00 10.14 H new ATOM 0 HZ3 TRP A 11 -5.049 -1.922 3.060 1.00 25.31 H new ATOM 0 HH2 TRP A 11 -7.203 -0.862 2.529 1.00 23.13 H new ATOM 198 N TYR A 12 -4.189 -3.288 7.768 1.00 71.22 N ATOM 199 CA TYR A 12 -4.726 -4.512 7.204 1.00 71.41 C ATOM 200 C TYR A 12 -5.010 -5.548 8.296 1.00 3.10 C ATOM 201 O TYR A 12 -6.104 -6.114 8.352 1.00 53.11 O ATOM 202 CB TYR A 12 -3.742 -5.062 6.168 1.00 31.22 C ATOM 203 CG TYR A 12 -3.983 -6.502 5.776 1.00 64.41 C ATOM 204 CD1 TYR A 12 -5.185 -6.905 5.209 1.00 52.13 C ATOM 205 CD2 TYR A 12 -3.001 -7.463 5.985 1.00 12.23 C ATOM 206 CE1 TYR A 12 -5.399 -8.223 4.860 1.00 12.32 C ATOM 207 CE2 TYR A 12 -3.209 -8.782 5.638 1.00 45.43 C ATOM 208 CZ TYR A 12 -4.408 -9.156 5.078 1.00 74.55 C ATOM 209 OH TYR A 12 -4.617 -10.469 4.738 1.00 24.12 O ATOM 0 H TYR A 12 -3.224 -3.093 7.501 1.00 71.22 H new ATOM 0 HA TYR A 12 -5.676 -4.292 6.716 1.00 71.41 H new ATOM 0 HB2 TYR A 12 -3.792 -4.442 5.273 1.00 31.22 H new ATOM 0 HB3 TYR A 12 -2.730 -4.971 6.563 1.00 31.22 H new ATOM 0 HD1 TYR A 12 -5.964 -6.176 5.039 1.00 52.13 H new ATOM 0 HD2 TYR A 12 -2.059 -7.172 6.426 1.00 12.23 H new ATOM 0 HE1 TYR A 12 -6.338 -8.522 4.418 1.00 12.32 H new ATOM 0 HE2 TYR A 12 -2.435 -9.516 5.805 1.00 45.43 H new ATOM 0 HH TYR A 12 -5.006 -10.946 5.500 1.00 24.12 H new ATOM 219 N GLU A 13 -4.032 -5.772 9.168 1.00 45.22 N ATOM 220 CA GLU A 13 -4.133 -6.782 10.219 1.00 44.42 C ATOM 221 C GLU A 13 -5.344 -6.550 11.118 1.00 22.40 C ATOM 222 O GLU A 13 -6.107 -7.475 11.393 1.00 61.44 O ATOM 223 CB GLU A 13 -2.854 -6.801 11.067 1.00 31.51 C ATOM 224 CG GLU A 13 -2.923 -7.766 12.242 1.00 51.44 C ATOM 225 CD GLU A 13 -1.653 -7.790 13.065 1.00 62.23 C ATOM 226 OE1 GLU A 13 -1.354 -6.782 13.735 1.00 23.10 O ATOM 227 OE2 GLU A 13 -0.952 -8.825 13.054 1.00 73.22 O ATOM 0 H GLU A 13 -3.149 -5.261 9.167 1.00 45.22 H new ATOM 0 HA GLU A 13 -4.260 -7.747 9.728 1.00 44.42 H new ATOM 0 HB2 GLU A 13 -2.010 -7.072 10.433 1.00 31.51 H new ATOM 0 HB3 GLU A 13 -2.661 -5.796 11.442 1.00 31.51 H new ATOM 0 HG2 GLU A 13 -3.760 -7.489 12.884 1.00 51.44 H new ATOM 0 HG3 GLU A 13 -3.126 -8.770 11.869 1.00 51.44 H new ATOM 234 N VAL A 14 -5.519 -5.319 11.567 1.00 74.13 N ATOM 235 CA VAL A 14 -6.597 -4.986 12.489 1.00 44.05 C ATOM 236 C VAL A 14 -7.968 -5.133 11.828 1.00 12.40 C ATOM 237 O VAL A 14 -8.956 -5.455 12.493 1.00 61.22 O ATOM 238 CB VAL A 14 -6.431 -3.545 13.036 1.00 50.21 C ATOM 239 CG1 VAL A 14 -7.580 -3.168 13.962 1.00 10.14 C ATOM 240 CG2 VAL A 14 -5.101 -3.404 13.762 1.00 61.34 C ATOM 0 H VAL A 14 -4.927 -4.529 11.308 1.00 74.13 H new ATOM 0 HA VAL A 14 -6.539 -5.691 13.319 1.00 44.05 H new ATOM 0 HB VAL A 14 -6.445 -2.862 12.187 1.00 50.21 H new ATOM 0 HG11 VAL A 14 -7.434 -2.152 14.328 1.00 10.14 H new ATOM 0 HG12 VAL A 14 -8.521 -3.225 13.415 1.00 10.14 H new ATOM 0 HG13 VAL A 14 -7.608 -3.857 14.806 1.00 10.14 H new ATOM 0 HG21 VAL A 14 -4.999 -2.387 14.140 1.00 61.34 H new ATOM 0 HG22 VAL A 14 -5.065 -4.106 14.595 1.00 61.34 H new ATOM 0 HG23 VAL A 14 -4.285 -3.618 13.072 1.00 61.34 H new ATOM 250 N ASN A 15 -8.026 -4.951 10.516 1.00 63.31 N ATOM 251 CA ASN A 15 -9.312 -4.850 9.837 1.00 11.50 C ATOM 252 C ASN A 15 -9.598 -6.047 8.929 1.00 3.21 C ATOM 253 O ASN A 15 -10.495 -6.838 9.212 1.00 44.43 O ATOM 254 CB ASN A 15 -9.396 -3.546 9.033 1.00 42.22 C ATOM 255 CG ASN A 15 -9.435 -2.312 9.920 1.00 14.32 C ATOM 256 OD1 ASN A 15 -10.505 -1.867 10.336 1.00 32.34 O ATOM 257 ND2 ASN A 15 -8.273 -1.746 10.203 1.00 40.32 N ATOM 0 H ASN A 15 -7.211 -4.871 9.907 1.00 63.31 H new ATOM 0 HA ASN A 15 -10.076 -4.848 10.615 1.00 11.50 H new ATOM 0 HB2 ASN A 15 -8.538 -3.481 8.364 1.00 42.22 H new ATOM 0 HB3 ASN A 15 -10.288 -3.567 8.407 1.00 42.22 H new ATOM 0 HD21 ASN A 15 -8.242 -0.909 10.786 1.00 40.32 H new ATOM 0 HD22 ASN A 15 -7.409 -2.146 9.838 1.00 40.32 H new ATOM 264 N LYS A 16 -8.830 -6.191 7.854 1.00 61.34 N ATOM 265 CA LYS A 16 -9.154 -7.164 6.808 1.00 33.51 C ATOM 266 C LYS A 16 -8.550 -8.539 7.086 1.00 31.20 C ATOM 267 O LYS A 16 -9.083 -9.550 6.633 1.00 52.24 O ATOM 268 CB LYS A 16 -8.667 -6.680 5.431 1.00 32.34 C ATOM 269 CG LYS A 16 -9.346 -5.419 4.913 1.00 32.41 C ATOM 270 CD LYS A 16 -8.790 -4.160 5.563 1.00 60.52 C ATOM 271 CE LYS A 16 -9.417 -2.903 4.982 1.00 60.41 C ATOM 272 NZ LYS A 16 -10.894 -2.877 5.145 1.00 41.13 N ATOM 0 H LYS A 16 -7.982 -5.651 7.681 1.00 61.34 H new ATOM 0 HA LYS A 16 -10.240 -7.255 6.807 1.00 33.51 H new ATOM 0 HB2 LYS A 16 -7.593 -6.500 5.485 1.00 32.34 H new ATOM 0 HB3 LYS A 16 -8.820 -7.480 4.707 1.00 32.34 H new ATOM 0 HG2 LYS A 16 -9.216 -5.356 3.833 1.00 32.41 H new ATOM 0 HG3 LYS A 16 -10.418 -5.481 5.102 1.00 32.41 H new ATOM 0 HD2 LYS A 16 -8.972 -4.194 6.637 1.00 60.52 H new ATOM 0 HD3 LYS A 16 -7.709 -4.125 5.424 1.00 60.52 H new ATOM 0 HE2 LYS A 16 -8.986 -2.028 5.468 1.00 60.41 H new ATOM 0 HE3 LYS A 16 -9.170 -2.834 3.923 1.00 60.41 H new ATOM 0 HZ1 LYS A 16 -11.255 -1.936 4.890 1.00 41.13 H new ATOM 0 HZ2 LYS A 16 -11.324 -3.592 4.525 1.00 41.13 H new ATOM 0 HZ3 LYS A 16 -11.138 -3.085 6.134 1.00 41.13 H new ATOM 286 N LEU A 17 -7.453 -8.560 7.839 1.00 73.32 N ATOM 287 CA LEU A 17 -6.647 -9.773 8.042 1.00 34.20 C ATOM 288 C LEU A 17 -7.478 -11.044 8.288 1.00 34.33 C ATOM 289 O LEU A 17 -7.372 -12.003 7.523 1.00 43.44 O ATOM 290 CB LEU A 17 -5.677 -9.582 9.205 1.00 3.35 C ATOM 291 CG LEU A 17 -4.734 -10.754 9.464 1.00 31.42 C ATOM 292 CD1 LEU A 17 -3.582 -10.734 8.478 1.00 30.52 C ATOM 293 CD2 LEU A 17 -4.225 -10.719 10.892 1.00 22.53 C ATOM 0 H LEU A 17 -7.093 -7.740 8.328 1.00 73.32 H new ATOM 0 HA LEU A 17 -6.107 -9.921 7.107 1.00 34.20 H new ATOM 0 HB2 LEU A 17 -5.079 -8.690 9.016 1.00 3.35 H new ATOM 0 HB3 LEU A 17 -6.253 -9.393 10.111 1.00 3.35 H new ATOM 0 HG LEU A 17 -5.286 -11.683 9.323 1.00 31.42 H new ATOM 0 HD11 LEU A 17 -2.919 -11.576 8.676 1.00 30.52 H new ATOM 0 HD12 LEU A 17 -3.971 -10.810 7.463 1.00 30.52 H new ATOM 0 HD13 LEU A 17 -3.027 -9.802 8.586 1.00 30.52 H new ATOM 0 HD21 LEU A 17 -3.554 -11.561 11.060 1.00 22.53 H new ATOM 0 HD22 LEU A 17 -3.687 -9.787 11.064 1.00 22.53 H new ATOM 0 HD23 LEU A 17 -5.068 -10.784 11.580 1.00 22.53 H new ATOM 305 N PRO A 18 -8.316 -11.089 9.343 1.00 20.43 N ATOM 306 CA PRO A 18 -9.000 -12.311 9.736 1.00 43.40 C ATOM 307 C PRO A 18 -10.332 -12.513 9.022 1.00 61.43 C ATOM 308 O PRO A 18 -11.143 -13.341 9.436 1.00 2.43 O ATOM 309 CB PRO A 18 -9.224 -12.121 11.242 1.00 53.20 C ATOM 310 CG PRO A 18 -9.026 -10.660 11.529 1.00 64.10 C ATOM 311 CD PRO A 18 -8.687 -9.978 10.229 1.00 13.24 C ATOM 0 HA PRO A 18 -8.416 -13.195 9.478 1.00 43.40 H new ATOM 0 HB2 PRO A 18 -10.227 -12.438 11.527 1.00 53.20 H new ATOM 0 HB3 PRO A 18 -8.523 -12.726 11.817 1.00 53.20 H new ATOM 0 HG2 PRO A 18 -9.929 -10.230 11.962 1.00 64.10 H new ATOM 0 HG3 PRO A 18 -8.225 -10.518 12.255 1.00 64.10 H new ATOM 0 HD2 PRO A 18 -9.536 -9.418 9.836 1.00 13.24 H new ATOM 0 HD3 PRO A 18 -7.867 -9.270 10.349 1.00 13.24 H new ATOM 319 N HIS A 19 -10.558 -11.764 7.949 1.00 64.44 N ATOM 320 CA HIS A 19 -11.812 -11.860 7.214 1.00 35.44 C ATOM 321 C HIS A 19 -11.554 -12.170 5.749 1.00 74.44 C ATOM 322 O HIS A 19 -12.487 -12.284 4.951 1.00 73.03 O ATOM 323 CB HIS A 19 -12.615 -10.561 7.344 1.00 32.22 C ATOM 324 CG HIS A 19 -12.906 -10.193 8.764 1.00 34.35 C ATOM 325 ND1 HIS A 19 -13.993 -10.701 9.430 1.00 2.45 N ATOM 326 CD2 HIS A 19 -12.200 -9.407 9.602 1.00 43.04 C ATOM 327 CE1 HIS A 19 -13.919 -10.219 10.656 1.00 4.15 C ATOM 328 NE2 HIS A 19 -12.847 -9.427 10.812 1.00 13.24 N ATOM 0 H HIS A 19 -9.894 -11.088 7.571 1.00 64.44 H new ATOM 0 HA HIS A 19 -12.394 -12.675 7.644 1.00 35.44 H new ATOM 0 HB2 HIS A 19 -12.062 -9.750 6.870 1.00 32.22 H new ATOM 0 HB3 HIS A 19 -13.555 -10.666 6.802 1.00 32.22 H new ATOM 0 HD2 HIS A 19 -11.297 -8.865 9.366 1.00 43.04 H new ATOM 0 HE1 HIS A 19 -14.633 -10.435 11.437 1.00 4.15 H new ATOM 0 HE2 HIS A 19 -12.568 -8.937 11.662 1.00 13.24 H new ATOM 336 N VAL A 20 -10.286 -12.316 5.399 1.00 20.42 N ATOM 337 CA VAL A 20 -9.912 -12.607 4.027 1.00 23.13 C ATOM 338 C VAL A 20 -9.129 -13.912 3.954 1.00 50.14 C ATOM 339 O VAL A 20 -8.488 -14.318 4.926 1.00 21.04 O ATOM 340 CB VAL A 20 -9.072 -11.467 3.408 1.00 55.53 C ATOM 341 CG1 VAL A 20 -9.791 -10.133 3.549 1.00 73.25 C ATOM 342 CG2 VAL A 20 -7.686 -11.404 4.035 1.00 43.44 C ATOM 0 H VAL A 20 -9.501 -12.238 6.045 1.00 20.42 H new ATOM 0 HA VAL A 20 -10.834 -12.701 3.454 1.00 23.13 H new ATOM 0 HB VAL A 20 -8.948 -11.678 2.346 1.00 55.53 H new ATOM 0 HG11 VAL A 20 -9.183 -9.344 3.107 1.00 73.25 H new ATOM 0 HG12 VAL A 20 -10.752 -10.181 3.036 1.00 73.25 H new ATOM 0 HG13 VAL A 20 -9.954 -9.917 4.605 1.00 73.25 H new ATOM 0 HG21 VAL A 20 -7.117 -10.593 3.580 1.00 43.44 H new ATOM 0 HG22 VAL A 20 -7.779 -11.226 5.106 1.00 43.44 H new ATOM 0 HG23 VAL A 20 -7.168 -12.348 3.868 1.00 43.44 H new ATOM 352 N SER A 21 -9.195 -14.570 2.810 1.00 1.21 N ATOM 353 CA SER A 21 -8.476 -15.815 2.602 1.00 15.45 C ATOM 354 C SER A 21 -7.121 -15.536 1.952 1.00 11.45 C ATOM 355 O SER A 21 -6.802 -14.381 1.653 1.00 3.12 O ATOM 356 CB SER A 21 -9.306 -16.744 1.716 1.00 62.32 C ATOM 357 OG SER A 21 -10.640 -16.850 2.198 1.00 32.34 O ATOM 0 H SER A 21 -9.742 -14.261 2.007 1.00 1.21 H new ATOM 0 HA SER A 21 -8.307 -16.297 3.565 1.00 15.45 H new ATOM 0 HB2 SER A 21 -9.314 -16.366 0.694 1.00 62.32 H new ATOM 0 HB3 SER A 21 -8.846 -17.732 1.687 1.00 62.32 H new ATOM 0 HG SER A 21 -11.152 -17.448 1.614 1.00 32.34 H new ATOM 363 N GLU A 22 -6.333 -16.594 1.735 1.00 14.11 N ATOM 364 CA GLU A 22 -5.033 -16.485 1.067 1.00 73.02 C ATOM 365 C GLU A 22 -5.140 -15.698 -0.233 1.00 0.33 C ATOM 366 O GLU A 22 -4.242 -14.935 -0.572 1.00 52.41 O ATOM 367 CB GLU A 22 -4.472 -17.873 0.763 1.00 13.44 C ATOM 368 CG GLU A 22 -3.914 -18.597 1.973 1.00 34.24 C ATOM 369 CD GLU A 22 -2.634 -17.975 2.484 1.00 51.31 C ATOM 370 OE1 GLU A 22 -1.545 -18.377 2.016 1.00 34.10 O ATOM 371 OE2 GLU A 22 -2.708 -17.091 3.359 1.00 1.14 O ATOM 0 H GLU A 22 -6.577 -17.544 2.016 1.00 14.11 H new ATOM 0 HA GLU A 22 -4.363 -15.955 1.744 1.00 73.02 H new ATOM 0 HB2 GLU A 22 -5.260 -18.482 0.321 1.00 13.44 H new ATOM 0 HB3 GLU A 22 -3.685 -17.779 0.015 1.00 13.44 H new ATOM 0 HG2 GLU A 22 -4.658 -18.593 2.769 1.00 34.24 H new ATOM 0 HG3 GLU A 22 -3.729 -19.640 1.715 1.00 34.24 H new ATOM 378 N SER A 23 -6.239 -15.892 -0.952 1.00 53.01 N ATOM 379 CA SER A 23 -6.483 -15.191 -2.207 1.00 52.31 C ATOM 380 C SER A 23 -6.292 -13.682 -2.047 1.00 54.12 C ATOM 381 O SER A 23 -5.560 -13.051 -2.813 1.00 51.45 O ATOM 382 CB SER A 23 -7.903 -15.495 -2.681 1.00 53.00 C ATOM 383 OG SER A 23 -8.151 -16.889 -2.652 1.00 11.01 O ATOM 0 H SER A 23 -6.983 -16.536 -0.684 1.00 53.01 H new ATOM 0 HA SER A 23 -5.762 -15.538 -2.948 1.00 52.31 H new ATOM 0 HB2 SER A 23 -8.623 -14.979 -2.045 1.00 53.00 H new ATOM 0 HB3 SER A 23 -8.043 -15.116 -3.693 1.00 53.00 H new ATOM 0 HG SER A 23 -9.066 -17.065 -2.957 1.00 11.01 H new ATOM 389 N THR A 24 -6.929 -13.118 -1.033 1.00 33.24 N ATOM 390 CA THR A 24 -6.841 -11.693 -0.773 1.00 44.10 C ATOM 391 C THR A 24 -5.516 -11.362 -0.086 1.00 22.32 C ATOM 392 O THR A 24 -4.924 -10.305 -0.320 1.00 63.22 O ATOM 393 CB THR A 24 -8.018 -11.238 0.109 1.00 24.10 C ATOM 394 OG1 THR A 24 -9.224 -11.874 -0.340 1.00 60.15 O ATOM 395 CG2 THR A 24 -8.191 -9.729 0.054 1.00 1.41 C ATOM 0 H THR A 24 -7.515 -13.630 -0.374 1.00 33.24 H new ATOM 0 HA THR A 24 -6.888 -11.163 -1.724 1.00 44.10 H new ATOM 0 HB THR A 24 -7.806 -11.522 1.140 1.00 24.10 H new ATOM 0 HG1 THR A 24 -9.974 -11.587 0.222 1.00 60.15 H new ATOM 0 HG21 THR A 24 -9.029 -9.436 0.686 1.00 1.41 H new ATOM 0 HG22 THR A 24 -7.281 -9.245 0.410 1.00 1.41 H new ATOM 0 HG23 THR A 24 -8.387 -9.422 -0.974 1.00 1.41 H new ATOM 403 N LYS A 25 -5.039 -12.292 0.741 1.00 54.40 N ATOM 404 CA LYS A 25 -3.785 -12.105 1.459 1.00 53.40 C ATOM 405 C LYS A 25 -2.607 -11.990 0.501 1.00 15.04 C ATOM 406 O LYS A 25 -1.727 -11.166 0.709 1.00 20.32 O ATOM 407 CB LYS A 25 -3.523 -13.250 2.434 1.00 44.53 C ATOM 408 CG LYS A 25 -4.486 -13.299 3.606 1.00 30.13 C ATOM 409 CD LYS A 25 -3.955 -14.157 4.749 1.00 41.44 C ATOM 410 CE LYS A 25 -2.876 -13.443 5.565 1.00 11.02 C ATOM 411 NZ LYS A 25 -1.645 -13.169 4.774 1.00 10.45 N ATOM 0 H LYS A 25 -5.504 -13.181 0.928 1.00 54.40 H new ATOM 0 HA LYS A 25 -3.883 -11.175 2.019 1.00 53.40 H new ATOM 0 HB2 LYS A 25 -3.579 -14.194 1.892 1.00 44.53 H new ATOM 0 HB3 LYS A 25 -2.506 -13.162 2.817 1.00 44.53 H new ATOM 0 HG2 LYS A 25 -4.668 -12.287 3.967 1.00 30.13 H new ATOM 0 HG3 LYS A 25 -5.444 -13.695 3.271 1.00 30.13 H new ATOM 0 HD2 LYS A 25 -4.780 -14.432 5.406 1.00 41.44 H new ATOM 0 HD3 LYS A 25 -3.547 -15.083 4.344 1.00 41.44 H new ATOM 0 HE2 LYS A 25 -3.276 -12.503 5.945 1.00 11.02 H new ATOM 0 HE3 LYS A 25 -2.618 -14.053 6.431 1.00 11.02 H new ATOM 0 HZ1 LYS A 25 -0.871 -12.907 5.417 1.00 10.45 H new ATOM 0 HZ2 LYS A 25 -1.379 -14.021 4.240 1.00 10.45 H new ATOM 0 HZ3 LYS A 25 -1.825 -12.388 4.112 1.00 10.45 H new ATOM 425 N ARG A 26 -2.599 -12.815 -0.545 1.00 3.53 N ATOM 426 CA ARG A 26 -1.501 -12.824 -1.513 1.00 71.21 C ATOM 427 C ARG A 26 -1.252 -11.431 -2.079 1.00 13.14 C ATOM 428 O ARG A 26 -0.105 -11.038 -2.294 1.00 62.22 O ATOM 429 CB ARG A 26 -1.790 -13.800 -2.655 1.00 75.24 C ATOM 430 CG ARG A 26 -1.721 -15.264 -2.253 1.00 15.10 C ATOM 431 CD ARG A 26 -2.062 -16.169 -3.424 1.00 3.24 C ATOM 432 NE ARG A 26 -1.975 -17.590 -3.083 1.00 2.32 N ATOM 433 CZ ARG A 26 -2.313 -18.571 -3.921 1.00 31.25 C ATOM 434 NH1 ARG A 26 -2.775 -18.278 -5.131 1.00 60.05 N ATOM 435 NH2 ARG A 26 -2.201 -19.841 -3.554 1.00 35.11 N ATOM 0 H ARG A 26 -3.340 -13.486 -0.745 1.00 3.53 H new ATOM 0 HA ARG A 26 -0.605 -13.150 -0.985 1.00 71.21 H new ATOM 0 HB2 ARG A 26 -2.782 -13.591 -3.055 1.00 75.24 H new ATOM 0 HB3 ARG A 26 -1.077 -13.622 -3.460 1.00 75.24 H new ATOM 0 HG2 ARG A 26 -0.721 -15.497 -1.888 1.00 15.10 H new ATOM 0 HG3 ARG A 26 -2.412 -15.452 -1.431 1.00 15.10 H new ATOM 0 HD2 ARG A 26 -3.071 -15.944 -3.771 1.00 3.24 H new ATOM 0 HD3 ARG A 26 -1.386 -15.956 -4.252 1.00 3.24 H new ATOM 0 HE ARG A 26 -1.638 -17.844 -2.154 1.00 2.32 H new ATOM 0 HH11 ARG A 26 -2.871 -17.304 -5.418 1.00 60.05 H new ATOM 0 HH12 ARG A 26 -3.034 -19.027 -5.773 1.00 60.05 H new ATOM 0 HH21 ARG A 26 -1.854 -20.074 -2.624 1.00 35.11 H new ATOM 0 HH22 ARG A 26 -2.462 -20.584 -4.202 1.00 35.11 H new ATOM 449 N HIS A 27 -2.327 -10.685 -2.303 1.00 15.55 N ATOM 450 CA HIS A 27 -2.212 -9.331 -2.824 1.00 30.54 C ATOM 451 C HIS A 27 -1.671 -8.390 -1.752 1.00 31.55 C ATOM 452 O HIS A 27 -0.774 -7.591 -2.018 1.00 50.03 O ATOM 453 CB HIS A 27 -3.561 -8.825 -3.342 1.00 71.14 C ATOM 454 CG HIS A 27 -4.045 -9.539 -4.568 1.00 61.31 C ATOM 455 ND1 HIS A 27 -3.526 -9.265 -5.812 1.00 32.31 N ATOM 456 CD2 HIS A 27 -5.000 -10.491 -4.690 1.00 23.35 C ATOM 457 CE1 HIS A 27 -4.173 -10.051 -6.654 1.00 22.11 C ATOM 458 NE2 HIS A 27 -5.074 -10.813 -6.021 1.00 52.44 N ATOM 0 H HIS A 27 -3.284 -10.994 -2.132 1.00 15.55 H new ATOM 0 HA HIS A 27 -1.512 -9.351 -3.659 1.00 30.54 H new ATOM 0 HB2 HIS A 27 -4.306 -8.932 -2.553 1.00 71.14 H new ATOM 0 HB3 HIS A 27 -3.479 -7.760 -3.561 1.00 71.14 H new ATOM 0 HD2 HIS A 27 -5.591 -10.916 -3.892 1.00 23.35 H new ATOM 0 HE1 HIS A 27 -3.997 -10.076 -7.719 1.00 22.11 H new ATOM 0 HE2 HIS A 27 -5.696 -11.501 -6.447 1.00 52.44 H new ATOM 466 N TYR A 28 -2.204 -8.501 -0.537 1.00 13.44 N ATOM 467 CA TYR A 28 -1.760 -7.659 0.575 1.00 3.15 C ATOM 468 C TYR A 28 -0.310 -7.947 0.953 1.00 32.55 C ATOM 469 O TYR A 28 0.472 -7.022 1.162 1.00 11.52 O ATOM 470 CB TYR A 28 -2.664 -7.841 1.796 1.00 52.10 C ATOM 471 CG TYR A 28 -3.938 -7.032 1.739 1.00 31.15 C ATOM 472 CD1 TYR A 28 -3.939 -5.685 2.081 1.00 74.22 C ATOM 473 CD2 TYR A 28 -5.138 -7.614 1.358 1.00 23.10 C ATOM 474 CE1 TYR A 28 -5.103 -4.942 2.045 1.00 70.41 C ATOM 475 CE2 TYR A 28 -6.305 -6.877 1.321 1.00 20.12 C ATOM 476 CZ TYR A 28 -6.283 -5.543 1.666 1.00 3.35 C ATOM 477 OH TYR A 28 -7.446 -4.810 1.635 1.00 42.44 O ATOM 0 H TYR A 28 -2.942 -9.163 -0.296 1.00 13.44 H new ATOM 0 HA TYR A 28 -1.826 -6.624 0.240 1.00 3.15 H new ATOM 0 HB2 TYR A 28 -2.919 -8.896 1.893 1.00 52.10 H new ATOM 0 HB3 TYR A 28 -2.109 -7.564 2.692 1.00 52.10 H new ATOM 0 HD1 TYR A 28 -3.015 -5.212 2.380 1.00 74.22 H new ATOM 0 HD2 TYR A 28 -5.160 -8.659 1.086 1.00 23.10 H new ATOM 0 HE1 TYR A 28 -5.088 -3.896 2.313 1.00 70.41 H new ATOM 0 HE2 TYR A 28 -7.232 -7.344 1.023 1.00 20.12 H new ATOM 0 HH TYR A 28 -7.436 -4.213 0.858 1.00 42.44 H new ATOM 487 N GLU A 29 0.044 -9.223 1.032 1.00 4.52 N ATOM 488 CA GLU A 29 1.408 -9.623 1.363 1.00 20.43 C ATOM 489 C GLU A 29 2.382 -9.099 0.313 1.00 63.05 C ATOM 490 O GLU A 29 3.454 -8.594 0.643 1.00 23.23 O ATOM 491 CB GLU A 29 1.516 -11.151 1.453 1.00 33.41 C ATOM 492 CG GLU A 29 0.670 -11.783 2.553 1.00 4.34 C ATOM 493 CD GLU A 29 1.131 -11.418 3.951 1.00 20.01 C ATOM 494 OE1 GLU A 29 2.357 -11.295 4.163 1.00 35.11 O ATOM 495 OE2 GLU A 29 0.269 -11.278 4.846 1.00 21.31 O ATOM 0 H GLU A 29 -0.595 -10.001 0.871 1.00 4.52 H new ATOM 0 HA GLU A 29 1.663 -9.195 2.332 1.00 20.43 H new ATOM 0 HB2 GLU A 29 1.222 -11.580 0.495 1.00 33.41 H new ATOM 0 HB3 GLU A 29 2.560 -11.419 1.616 1.00 33.41 H new ATOM 0 HG2 GLU A 29 -0.367 -11.472 2.428 1.00 4.34 H new ATOM 0 HG3 GLU A 29 0.694 -12.867 2.442 1.00 4.34 H new ATOM 502 N SER A 30 1.995 -9.209 -0.956 1.00 62.51 N ATOM 503 CA SER A 30 2.825 -8.729 -2.053 1.00 4.34 C ATOM 504 C SER A 30 2.901 -7.207 -2.028 1.00 53.10 C ATOM 505 O SER A 30 3.940 -6.622 -2.332 1.00 70.41 O ATOM 506 CB SER A 30 2.274 -9.213 -3.396 1.00 20.21 C ATOM 507 OG SER A 30 3.201 -8.984 -4.448 1.00 14.43 O ATOM 0 H SER A 30 1.111 -9.627 -1.248 1.00 62.51 H new ATOM 0 HA SER A 30 3.830 -9.132 -1.929 1.00 4.34 H new ATOM 0 HB2 SER A 30 2.045 -10.277 -3.335 1.00 20.21 H new ATOM 0 HB3 SER A 30 1.339 -8.698 -3.614 1.00 20.21 H new ATOM 0 HG SER A 30 2.822 -9.304 -5.293 1.00 14.43 H new ATOM 513 N ALA A 31 1.799 -6.570 -1.665 1.00 23.12 N ATOM 514 CA ALA A 31 1.771 -5.126 -1.520 1.00 73.15 C ATOM 515 C ALA A 31 2.725 -4.691 -0.417 1.00 35.34 C ATOM 516 O ALA A 31 3.585 -3.835 -0.622 1.00 41.14 O ATOM 517 CB ALA A 31 0.357 -4.658 -1.215 1.00 53.44 C ATOM 0 H ALA A 31 0.912 -7.032 -1.466 1.00 23.12 H new ATOM 0 HA ALA A 31 2.093 -4.671 -2.457 1.00 73.15 H new ATOM 0 HB1 ALA A 31 0.348 -3.573 -1.108 1.00 53.44 H new ATOM 0 HB2 ALA A 31 -0.306 -4.948 -2.030 1.00 53.44 H new ATOM 0 HB3 ALA A 31 0.014 -5.117 -0.288 1.00 53.44 H new ATOM 523 N TYR A 32 2.583 -5.321 0.742 1.00 15.24 N ATOM 524 CA TYR A 32 3.384 -4.991 1.906 1.00 42.23 C ATOM 525 C TYR A 32 4.869 -5.250 1.662 1.00 63.22 C ATOM 526 O TYR A 32 5.701 -4.435 2.042 1.00 75.31 O ATOM 527 CB TYR A 32 2.890 -5.778 3.123 1.00 71.32 C ATOM 528 CG TYR A 32 3.746 -5.604 4.361 1.00 64.05 C ATOM 529 CD1 TYR A 32 4.090 -4.341 4.827 1.00 31.44 C ATOM 530 CD2 TYR A 32 4.215 -6.710 5.061 1.00 32.53 C ATOM 531 CE1 TYR A 32 4.881 -4.184 5.949 1.00 52.22 C ATOM 532 CE2 TYR A 32 5.001 -6.561 6.186 1.00 60.25 C ATOM 533 CZ TYR A 32 5.333 -5.296 6.623 1.00 44.12 C ATOM 534 OH TYR A 32 6.129 -5.145 7.736 1.00 13.15 O ATOM 0 H TYR A 32 1.911 -6.072 0.898 1.00 15.24 H new ATOM 0 HA TYR A 32 3.270 -3.925 2.102 1.00 42.23 H new ATOM 0 HB2 TYR A 32 1.870 -5.469 3.353 1.00 71.32 H new ATOM 0 HB3 TYR A 32 2.852 -6.837 2.867 1.00 71.32 H new ATOM 0 HD1 TYR A 32 3.733 -3.467 4.303 1.00 31.44 H new ATOM 0 HD2 TYR A 32 3.960 -7.702 4.719 1.00 32.53 H new ATOM 0 HE1 TYR A 32 5.143 -3.195 6.295 1.00 52.22 H new ATOM 0 HE2 TYR A 32 5.354 -7.430 6.721 1.00 60.25 H new ATOM 0 HH TYR A 32 6.361 -6.027 8.094 1.00 13.15 H new ATOM 544 N LYS A 33 5.206 -6.364 1.017 1.00 52.45 N ATOM 545 CA LYS A 33 6.611 -6.704 0.804 1.00 54.53 C ATOM 546 C LYS A 33 7.299 -5.674 -0.097 1.00 2.13 C ATOM 547 O LYS A 33 8.451 -5.310 0.139 1.00 25.11 O ATOM 548 CB LYS A 33 6.777 -8.117 0.226 1.00 25.02 C ATOM 549 CG LYS A 33 6.201 -8.303 -1.169 1.00 24.22 C ATOM 550 CD LYS A 33 6.542 -9.670 -1.737 1.00 12.32 C ATOM 551 CE LYS A 33 8.041 -9.847 -1.890 1.00 54.14 C ATOM 552 NZ LYS A 33 8.386 -11.150 -2.513 1.00 52.11 N ATOM 0 H LYS A 33 4.539 -7.036 0.638 1.00 52.45 H new ATOM 0 HA LYS A 33 7.093 -6.686 1.781 1.00 54.53 H new ATOM 0 HB2 LYS A 33 7.839 -8.363 0.202 1.00 25.02 H new ATOM 0 HB3 LYS A 33 6.300 -8.829 0.900 1.00 25.02 H new ATOM 0 HG2 LYS A 33 5.118 -8.182 -1.135 1.00 24.22 H new ATOM 0 HG3 LYS A 33 6.588 -7.527 -1.830 1.00 24.22 H new ATOM 0 HD2 LYS A 33 6.147 -10.447 -1.082 1.00 12.32 H new ATOM 0 HD3 LYS A 33 6.059 -9.794 -2.706 1.00 12.32 H new ATOM 0 HE2 LYS A 33 8.442 -9.037 -2.499 1.00 54.14 H new ATOM 0 HE3 LYS A 33 8.516 -9.776 -0.912 1.00 54.14 H new ATOM 0 HZ1 LYS A 33 9.419 -11.231 -2.599 1.00 52.11 H new ATOM 0 HZ2 LYS A 33 8.026 -11.925 -1.919 1.00 52.11 H new ATOM 0 HZ3 LYS A 33 7.954 -11.208 -3.457 1.00 52.11 H new ATOM 566 N HIS A 34 6.593 -5.192 -1.116 1.00 41.13 N ATOM 567 CA HIS A 34 7.147 -4.171 -1.995 1.00 64.32 C ATOM 568 C HIS A 34 7.187 -2.819 -1.293 1.00 25.43 C ATOM 569 O HIS A 34 8.147 -2.064 -1.439 1.00 30.30 O ATOM 570 CB HIS A 34 6.358 -4.070 -3.305 1.00 12.31 C ATOM 571 CG HIS A 34 6.627 -5.190 -4.266 1.00 34.42 C ATOM 572 ND1 HIS A 34 7.703 -5.221 -5.130 1.00 21.55 N ATOM 573 CD2 HIS A 34 5.929 -6.330 -4.505 1.00 51.14 C ATOM 574 CE1 HIS A 34 7.618 -6.343 -5.852 1.00 11.53 C ATOM 575 NE2 HIS A 34 6.560 -7.053 -5.510 1.00 55.44 N ATOM 0 H HIS A 34 5.646 -5.489 -1.351 1.00 41.13 H new ATOM 0 HA HIS A 34 8.167 -4.467 -2.241 1.00 64.32 H new ATOM 0 HB2 HIS A 34 5.293 -4.050 -3.075 1.00 12.31 H new ATOM 0 HB3 HIS A 34 6.597 -3.123 -3.790 1.00 12.31 H new ATOM 0 HD1 HIS A 34 8.434 -4.513 -5.204 1.00 21.55 H new ATOM 0 HD2 HIS A 34 5.025 -6.628 -3.994 1.00 51.14 H new ATOM 0 HE1 HIS A 34 8.324 -6.631 -6.617 1.00 11.53 H new ATOM 583 N ILE A 35 6.145 -2.517 -0.524 1.00 4.10 N ATOM 584 CA ILE A 35 6.121 -1.299 0.275 1.00 64.31 C ATOM 585 C ILE A 35 7.280 -1.296 1.267 1.00 71.11 C ATOM 586 O ILE A 35 8.038 -0.338 1.341 1.00 3.32 O ATOM 587 CB ILE A 35 4.779 -1.143 1.030 1.00 70.41 C ATOM 588 CG1 ILE A 35 3.654 -0.824 0.042 1.00 70.33 C ATOM 589 CG2 ILE A 35 4.875 -0.062 2.099 1.00 64.44 C ATOM 590 CD1 ILE A 35 2.286 -0.740 0.680 1.00 55.13 C ATOM 0 H ILE A 35 5.310 -3.097 -0.438 1.00 4.10 H new ATOM 0 HA ILE A 35 6.226 -0.454 -0.405 1.00 64.31 H new ATOM 0 HB ILE A 35 4.554 -2.086 1.528 1.00 70.41 H new ATOM 0 HG12 ILE A 35 3.874 0.123 -0.450 1.00 70.33 H new ATOM 0 HG13 ILE A 35 3.636 -1.590 -0.733 1.00 70.33 H new ATOM 0 HG21 ILE A 35 3.918 0.027 2.614 1.00 64.44 H new ATOM 0 HG22 ILE A 35 5.650 -0.328 2.817 1.00 64.44 H new ATOM 0 HG23 ILE A 35 5.125 0.891 1.632 1.00 64.44 H new ATOM 0 HD11 ILE A 35 1.542 -0.511 -0.083 1.00 55.13 H new ATOM 0 HD12 ILE A 35 2.044 -1.694 1.148 1.00 55.13 H new ATOM 0 HD13 ILE A 35 2.285 0.046 1.436 1.00 55.13 H new ATOM 602 N LYS A 36 7.423 -2.400 1.988 1.00 14.03 N ATOM 603 CA LYS A 36 8.489 -2.577 2.973 1.00 43.14 C ATOM 604 C LYS A 36 9.868 -2.465 2.322 1.00 74.34 C ATOM 605 O LYS A 36 10.838 -2.062 2.963 1.00 15.13 O ATOM 606 CB LYS A 36 8.340 -3.958 3.613 1.00 30.00 C ATOM 607 CG LYS A 36 9.302 -4.241 4.755 1.00 71.32 C ATOM 608 CD LYS A 36 9.555 -5.737 4.897 1.00 52.11 C ATOM 609 CE LYS A 36 8.256 -6.521 5.015 1.00 22.34 C ATOM 610 NZ LYS A 36 8.491 -7.986 4.948 1.00 1.14 N ATOM 0 H LYS A 36 6.801 -3.204 1.908 1.00 14.03 H new ATOM 0 HA LYS A 36 8.406 -1.793 3.726 1.00 43.14 H new ATOM 0 HB2 LYS A 36 7.320 -4.063 3.982 1.00 30.00 H new ATOM 0 HB3 LYS A 36 8.480 -4.716 2.843 1.00 30.00 H new ATOM 0 HG2 LYS A 36 10.245 -3.724 4.577 1.00 71.32 H new ATOM 0 HG3 LYS A 36 8.893 -3.848 5.686 1.00 71.32 H new ATOM 0 HD2 LYS A 36 10.118 -6.094 4.035 1.00 52.11 H new ATOM 0 HD3 LYS A 36 10.171 -5.920 5.778 1.00 52.11 H new ATOM 0 HE2 LYS A 36 7.766 -6.274 5.957 1.00 22.34 H new ATOM 0 HE3 LYS A 36 7.578 -6.224 4.215 1.00 22.34 H new ATOM 0 HZ1 LYS A 36 7.584 -8.487 5.032 1.00 1.14 H new ATOM 0 HZ2 LYS A 36 8.936 -8.225 4.039 1.00 1.14 H new ATOM 0 HZ3 LYS A 36 9.118 -8.273 5.726 1.00 1.14 H new ATOM 624 N ASP A 37 9.944 -2.837 1.052 1.00 70.52 N ATOM 625 CA ASP A 37 11.203 -2.821 0.317 1.00 65.42 C ATOM 626 C ASP A 37 11.585 -1.405 -0.108 1.00 40.14 C ATOM 627 O ASP A 37 12.742 -0.997 0.024 1.00 32.15 O ATOM 628 CB ASP A 37 11.094 -3.726 -0.914 1.00 14.50 C ATOM 629 CG ASP A 37 12.363 -3.757 -1.742 1.00 3.14 C ATOM 630 OD1 ASP A 37 13.302 -4.493 -1.371 1.00 74.24 O ATOM 631 OD2 ASP A 37 12.418 -3.064 -2.780 1.00 5.25 O ATOM 0 H ASP A 37 9.144 -3.156 0.506 1.00 70.52 H new ATOM 0 HA ASP A 37 11.986 -3.193 0.978 1.00 65.42 H new ATOM 0 HB2 ASP A 37 10.852 -4.739 -0.593 1.00 14.50 H new ATOM 0 HB3 ASP A 37 10.268 -3.383 -1.538 1.00 14.50 H new ATOM 636 N HIS A 38 10.616 -0.660 -0.628 1.00 22.30 N ATOM 637 CA HIS A 38 10.878 0.683 -1.145 1.00 11.14 C ATOM 638 C HIS A 38 10.758 1.741 -0.048 1.00 54.13 C ATOM 639 O HIS A 38 11.580 2.655 0.036 1.00 33.00 O ATOM 640 CB HIS A 38 9.940 1.010 -2.314 1.00 4.12 C ATOM 641 CG HIS A 38 10.129 0.118 -3.513 1.00 54.31 C ATOM 642 ND1 HIS A 38 10.554 0.572 -4.746 1.00 74.51 N ATOM 643 CD2 HIS A 38 9.944 -1.215 -3.658 1.00 65.23 C ATOM 644 CE1 HIS A 38 10.618 -0.444 -5.587 1.00 72.43 C ATOM 645 NE2 HIS A 38 10.254 -1.538 -4.951 1.00 74.20 N ATOM 0 H HIS A 38 9.644 -0.960 -0.704 1.00 22.30 H new ATOM 0 HA HIS A 38 11.905 0.698 -1.510 1.00 11.14 H new ATOM 0 HB2 HIS A 38 8.908 0.930 -1.973 1.00 4.12 H new ATOM 0 HB3 HIS A 38 10.097 2.046 -2.615 1.00 4.12 H new ATOM 0 HD2 HIS A 38 9.612 -1.900 -2.892 1.00 65.23 H new ATOM 0 HE1 HIS A 38 10.919 -0.387 -6.623 1.00 72.43 H new ATOM 0 HE2 HIS A 38 10.210 -2.473 -5.356 1.00 74.20 H new ATOM 654 N PHE A 39 9.736 1.615 0.788 1.00 24.23 N ATOM 655 CA PHE A 39 9.514 2.549 1.886 1.00 23.32 C ATOM 656 C PHE A 39 9.690 1.827 3.217 1.00 32.44 C ATOM 657 O PHE A 39 8.745 1.267 3.772 1.00 44.32 O ATOM 658 CB PHE A 39 8.118 3.176 1.796 1.00 21.15 C ATOM 659 CG PHE A 39 7.876 3.937 0.521 1.00 10.42 C ATOM 660 CD1 PHE A 39 8.460 5.177 0.315 1.00 4.31 C ATOM 661 CD2 PHE A 39 7.067 3.409 -0.475 1.00 34.35 C ATOM 662 CE1 PHE A 39 8.241 5.877 -0.856 1.00 24.31 C ATOM 663 CE2 PHE A 39 6.844 4.106 -1.648 1.00 2.50 C ATOM 664 CZ PHE A 39 7.432 5.340 -1.839 1.00 23.34 C ATOM 0 H PHE A 39 9.042 0.870 0.726 1.00 24.23 H new ATOM 0 HA PHE A 39 10.247 3.353 1.816 1.00 23.32 H new ATOM 0 HB2 PHE A 39 7.370 2.389 1.886 1.00 21.15 H new ATOM 0 HB3 PHE A 39 7.977 3.848 2.642 1.00 21.15 H new ATOM 0 HD1 PHE A 39 9.094 5.601 1.079 1.00 4.31 H new ATOM 0 HD2 PHE A 39 6.606 2.443 -0.332 1.00 34.35 H new ATOM 0 HE1 PHE A 39 8.702 6.843 -1.003 1.00 24.31 H new ATOM 0 HE2 PHE A 39 6.210 3.685 -2.414 1.00 2.50 H new ATOM 0 HZ PHE A 39 7.260 5.885 -2.755 1.00 23.34 H new ATOM 674 N ARG A 40 10.915 1.842 3.712 1.00 44.41 N ATOM 675 CA ARG A 40 11.293 1.046 4.870 1.00 72.43 C ATOM 676 C ARG A 40 11.117 1.837 6.161 1.00 22.42 C ATOM 677 O ARG A 40 10.504 1.364 7.118 1.00 70.33 O ATOM 678 CB ARG A 40 12.748 0.606 4.717 1.00 61.53 C ATOM 679 CG ARG A 40 13.063 0.094 3.320 1.00 24.43 C ATOM 680 CD ARG A 40 14.538 -0.205 3.133 1.00 73.25 C ATOM 681 NE ARG A 40 14.948 -1.422 3.829 1.00 32.24 N ATOM 682 CZ ARG A 40 15.215 -2.570 3.208 1.00 72.21 C ATOM 683 NH1 ARG A 40 15.083 -2.661 1.889 1.00 4.21 N ATOM 684 NH2 ARG A 40 15.603 -3.630 3.901 1.00 20.43 N ATOM 0 H ARG A 40 11.674 2.403 3.326 1.00 44.41 H new ATOM 0 HA ARG A 40 10.644 0.172 4.925 1.00 72.43 H new ATOM 0 HB2 ARG A 40 13.403 1.446 4.948 1.00 61.53 H new ATOM 0 HB3 ARG A 40 12.965 -0.177 5.444 1.00 61.53 H new ATOM 0 HG2 ARG A 40 12.485 -0.810 3.128 1.00 24.43 H new ATOM 0 HG3 ARG A 40 12.749 0.835 2.585 1.00 24.43 H new ATOM 0 HD2 ARG A 40 14.754 -0.307 2.069 1.00 73.25 H new ATOM 0 HD3 ARG A 40 15.127 0.636 3.499 1.00 73.25 H new ATOM 0 HE ARG A 40 15.035 -1.391 4.845 1.00 32.24 H new ATOM 0 HH11 ARG A 40 14.777 -1.851 1.350 1.00 4.21 H new ATOM 0 HH12 ARG A 40 15.288 -3.541 1.415 1.00 4.21 H new ATOM 0 HH21 ARG A 40 15.699 -3.570 4.915 1.00 20.43 H new ATOM 0 HH22 ARG A 40 15.806 -4.507 3.421 1.00 20.43 H new ATOM 698 N HIS A 41 11.663 3.043 6.184 1.00 13.30 N ATOM 699 CA HIS A 41 11.599 3.891 7.365 1.00 14.35 C ATOM 700 C HIS A 41 10.888 5.199 7.054 1.00 22.31 C ATOM 701 O HIS A 41 10.937 6.147 7.835 1.00 3.40 O ATOM 702 CB HIS A 41 13.004 4.163 7.917 1.00 14.02 C ATOM 703 CG HIS A 41 13.599 2.992 8.637 1.00 73.23 C ATOM 704 ND1 HIS A 41 14.940 2.680 8.602 1.00 41.43 N ATOM 705 CD2 HIS A 41 13.025 2.066 9.442 1.00 72.13 C ATOM 706 CE1 HIS A 41 15.162 1.620 9.356 1.00 53.20 C ATOM 707 NE2 HIS A 41 14.018 1.227 9.880 1.00 64.23 N ATOM 0 H HIS A 41 12.158 3.458 5.395 1.00 13.30 H new ATOM 0 HA HIS A 41 11.027 3.363 8.127 1.00 14.35 H new ATOM 0 HB2 HIS A 41 13.661 4.446 7.094 1.00 14.02 H new ATOM 0 HB3 HIS A 41 12.960 5.014 8.597 1.00 14.02 H new ATOM 0 HD2 HIS A 41 11.977 2.000 9.693 1.00 72.13 H new ATOM 0 HE1 HIS A 41 16.122 1.152 9.517 1.00 53.20 H new ATOM 0 HE2 HIS A 41 13.892 0.432 10.506 1.00 64.23 H new ATOM 716 N LYS A 42 10.213 5.233 5.914 1.00 23.02 N ATOM 717 CA LYS A 42 9.458 6.410 5.515 1.00 4.41 C ATOM 718 C LYS A 42 8.141 6.453 6.284 1.00 65.41 C ATOM 719 O LYS A 42 7.438 5.444 6.379 1.00 11.20 O ATOM 720 CB LYS A 42 9.185 6.382 4.008 1.00 61.31 C ATOM 721 CG LYS A 42 9.261 7.746 3.334 1.00 31.50 C ATOM 722 CD LYS A 42 10.688 8.272 3.328 1.00 21.31 C ATOM 723 CE LYS A 42 10.839 9.534 2.492 1.00 74.30 C ATOM 724 NZ LYS A 42 10.059 10.678 3.030 1.00 21.10 N ATOM 0 H LYS A 42 10.173 4.460 5.250 1.00 23.02 H new ATOM 0 HA LYS A 42 10.041 7.302 5.744 1.00 4.41 H new ATOM 0 HB2 LYS A 42 9.903 5.714 3.532 1.00 61.31 H new ATOM 0 HB3 LYS A 42 8.195 5.960 3.837 1.00 61.31 H new ATOM 0 HG2 LYS A 42 8.893 7.671 2.311 1.00 31.50 H new ATOM 0 HG3 LYS A 42 8.612 8.450 3.855 1.00 31.50 H new ATOM 0 HD2 LYS A 42 11.000 8.478 4.352 1.00 21.31 H new ATOM 0 HD3 LYS A 42 11.354 7.501 2.941 1.00 21.31 H new ATOM 0 HE2 LYS A 42 11.893 9.809 2.445 1.00 74.30 H new ATOM 0 HE3 LYS A 42 10.517 9.329 1.471 1.00 74.30 H new ATOM 0 HZ1 LYS A 42 10.340 11.551 2.539 1.00 21.10 H new ATOM 0 HZ2 LYS A 42 9.044 10.507 2.880 1.00 21.10 H new ATOM 0 HZ3 LYS A 42 10.246 10.778 4.048 1.00 21.10 H new ATOM 738 N LEU A 43 7.820 7.609 6.849 1.00 32.34 N ATOM 739 CA LEU A 43 6.584 7.775 7.602 1.00 74.11 C ATOM 740 C LEU A 43 5.385 7.782 6.660 1.00 32.35 C ATOM 741 O LEU A 43 5.541 8.004 5.460 1.00 2.32 O ATOM 742 CB LEU A 43 6.624 9.073 8.410 1.00 30.30 C ATOM 743 CG LEU A 43 7.802 9.198 9.378 1.00 62.35 C ATOM 744 CD1 LEU A 43 7.793 10.558 10.050 1.00 42.44 C ATOM 745 CD2 LEU A 43 7.760 8.088 10.418 1.00 40.11 C ATOM 0 H LEU A 43 8.399 8.447 6.800 1.00 32.34 H new ATOM 0 HA LEU A 43 6.484 6.936 8.290 1.00 74.11 H new ATOM 0 HB2 LEU A 43 6.653 9.914 7.717 1.00 30.30 H new ATOM 0 HB3 LEU A 43 5.697 9.159 8.977 1.00 30.30 H new ATOM 0 HG LEU A 43 8.727 9.100 8.810 1.00 62.35 H new ATOM 0 HD11 LEU A 43 8.637 10.631 10.735 1.00 42.44 H new ATOM 0 HD12 LEU A 43 7.872 11.338 9.293 1.00 42.44 H new ATOM 0 HD13 LEU A 43 6.863 10.683 10.605 1.00 42.44 H new ATOM 0 HD21 LEU A 43 8.606 8.194 11.097 1.00 40.11 H new ATOM 0 HD22 LEU A 43 6.830 8.154 10.983 1.00 40.11 H new ATOM 0 HD23 LEU A 43 7.814 7.120 9.920 1.00 40.11 H new ATOM 757 N LEU A 44 4.195 7.563 7.210 1.00 25.52 N ATOM 758 CA LEU A 44 2.978 7.467 6.406 1.00 42.23 C ATOM 759 C LEU A 44 2.722 8.765 5.649 1.00 72.11 C ATOM 760 O LEU A 44 2.563 8.772 4.433 1.00 1.11 O ATOM 761 CB LEU A 44 1.778 7.149 7.303 1.00 62.43 C ATOM 762 CG LEU A 44 0.441 6.995 6.572 1.00 61.30 C ATOM 763 CD1 LEU A 44 0.427 5.728 5.735 1.00 54.22 C ATOM 764 CD2 LEU A 44 -0.712 6.994 7.561 1.00 34.04 C ATOM 0 H LEU A 44 4.046 7.448 8.212 1.00 25.52 H new ATOM 0 HA LEU A 44 3.113 6.663 5.682 1.00 42.23 H new ATOM 0 HB2 LEU A 44 1.985 6.227 7.847 1.00 62.43 H new ATOM 0 HB3 LEU A 44 1.679 7.941 8.045 1.00 62.43 H new ATOM 0 HG LEU A 44 0.320 7.847 5.903 1.00 61.30 H new ATOM 0 HD11 LEU A 44 -0.532 5.639 5.225 1.00 54.22 H new ATOM 0 HD12 LEU A 44 1.228 5.771 4.997 1.00 54.22 H new ATOM 0 HD13 LEU A 44 0.575 4.863 6.382 1.00 54.22 H new ATOM 0 HD21 LEU A 44 -1.653 6.884 7.022 1.00 34.04 H new ATOM 0 HD22 LEU A 44 -0.593 6.164 8.258 1.00 34.04 H new ATOM 0 HD23 LEU A 44 -0.718 7.934 8.114 1.00 34.04 H new ATOM 776 N LYS A 45 2.711 9.863 6.384 1.00 72.13 N ATOM 777 CA LYS A 45 2.450 11.180 5.810 1.00 15.43 C ATOM 778 C LYS A 45 3.655 11.678 5.017 1.00 23.23 C ATOM 779 O LYS A 45 3.587 12.699 4.336 1.00 74.33 O ATOM 780 CB LYS A 45 2.116 12.166 6.940 1.00 2.34 C ATOM 781 CG LYS A 45 3.233 12.330 7.969 1.00 23.54 C ATOM 782 CD LYS A 45 4.262 13.369 7.532 1.00 42.33 C ATOM 783 CE LYS A 45 5.424 13.459 8.505 1.00 72.33 C ATOM 784 NZ LYS A 45 6.515 14.329 7.989 1.00 51.50 N ATOM 0 H LYS A 45 2.881 9.872 7.390 1.00 72.13 H new ATOM 0 HA LYS A 45 1.605 11.106 5.125 1.00 15.43 H new ATOM 0 HB2 LYS A 45 1.891 13.140 6.505 1.00 2.34 H new ATOM 0 HB3 LYS A 45 1.213 11.828 7.449 1.00 2.34 H new ATOM 0 HG2 LYS A 45 2.804 12.625 8.927 1.00 23.54 H new ATOM 0 HG3 LYS A 45 3.728 11.371 8.123 1.00 23.54 H new ATOM 0 HD2 LYS A 45 4.637 13.114 6.541 1.00 42.33 H new ATOM 0 HD3 LYS A 45 3.781 14.344 7.450 1.00 42.33 H new ATOM 0 HE2 LYS A 45 5.069 13.849 9.459 1.00 72.33 H new ATOM 0 HE3 LYS A 45 5.816 12.460 8.695 1.00 72.33 H new ATOM 0 HZ1 LYS A 45 7.172 14.557 8.762 1.00 51.50 H new ATOM 0 HZ2 LYS A 45 7.028 13.831 7.234 1.00 51.50 H new ATOM 0 HZ3 LYS A 45 6.108 15.208 7.610 1.00 51.50 H new ATOM 798 N ASP A 46 4.748 10.936 5.105 1.00 54.53 N ATOM 799 CA ASP A 46 6.032 11.391 4.590 1.00 25.31 C ATOM 800 C ASP A 46 6.307 10.781 3.220 1.00 63.02 C ATOM 801 O ASP A 46 7.423 10.847 2.707 1.00 32.23 O ATOM 802 CB ASP A 46 7.138 11.006 5.578 1.00 30.13 C ATOM 803 CG ASP A 46 8.270 12.009 5.629 1.00 42.13 C ATOM 804 OD1 ASP A 46 8.015 13.183 5.975 1.00 1.44 O ATOM 805 OD2 ASP A 46 9.425 11.619 5.368 1.00 42.33 O ATOM 0 H ASP A 46 4.772 10.010 5.531 1.00 54.53 H new ATOM 0 HA ASP A 46 6.009 12.475 4.478 1.00 25.31 H new ATOM 0 HB2 ASP A 46 6.707 10.904 6.574 1.00 30.13 H new ATOM 0 HB3 ASP A 46 7.538 10.030 5.303 1.00 30.13 H new ATOM 810 N ILE A 47 5.279 10.187 2.631 1.00 24.23 N ATOM 811 CA ILE A 47 5.397 9.581 1.313 1.00 44.40 C ATOM 812 C ILE A 47 5.237 10.640 0.231 1.00 34.00 C ATOM 813 O ILE A 47 4.158 11.210 0.059 1.00 12.03 O ATOM 814 CB ILE A 47 4.342 8.472 1.097 1.00 41.24 C ATOM 815 CG1 ILE A 47 4.470 7.389 2.173 1.00 71.33 C ATOM 816 CG2 ILE A 47 4.484 7.861 -0.291 1.00 51.51 C ATOM 817 CD1 ILE A 47 5.831 6.727 2.218 1.00 14.44 C ATOM 0 H ILE A 47 4.351 10.112 3.047 1.00 24.23 H new ATOM 0 HA ILE A 47 6.388 9.131 1.250 1.00 44.40 H new ATOM 0 HB ILE A 47 3.352 8.922 1.177 1.00 41.24 H new ATOM 0 HG12 ILE A 47 4.260 7.831 3.147 1.00 71.33 H new ATOM 0 HG13 ILE A 47 3.711 6.626 1.999 1.00 71.33 H new ATOM 0 HG21 ILE A 47 3.733 7.082 -0.424 1.00 51.51 H new ATOM 0 HG22 ILE A 47 4.342 8.635 -1.045 1.00 51.51 H new ATOM 0 HG23 ILE A 47 5.479 7.428 -0.398 1.00 51.51 H new ATOM 0 HD11 ILE A 47 5.843 5.973 3.005 1.00 14.44 H new ATOM 0 HD12 ILE A 47 6.037 6.254 1.258 1.00 14.44 H new ATOM 0 HD13 ILE A 47 6.594 7.478 2.424 1.00 14.44 H new ATOM 829 N LYS A 48 6.317 10.916 -0.488 1.00 14.52 N ATOM 830 CA LYS A 48 6.275 11.890 -1.564 1.00 13.21 C ATOM 831 C LYS A 48 5.569 11.310 -2.781 1.00 5.14 C ATOM 832 O LYS A 48 5.883 10.207 -3.225 1.00 60.34 O ATOM 833 CB LYS A 48 7.682 12.369 -1.947 1.00 42.23 C ATOM 834 CG LYS A 48 8.380 13.155 -0.848 1.00 23.43 C ATOM 835 CD LYS A 48 9.587 13.922 -1.369 1.00 42.31 C ATOM 836 CE LYS A 48 10.678 12.996 -1.884 1.00 21.22 C ATOM 837 NZ LYS A 48 11.898 13.748 -2.283 1.00 12.32 N ATOM 0 H LYS A 48 7.228 10.480 -0.345 1.00 14.52 H new ATOM 0 HA LYS A 48 5.713 12.752 -1.205 1.00 13.21 H new ATOM 0 HB2 LYS A 48 8.292 11.504 -2.207 1.00 42.23 H new ATOM 0 HB3 LYS A 48 7.614 12.991 -2.839 1.00 42.23 H new ATOM 0 HG2 LYS A 48 7.674 13.853 -0.398 1.00 23.43 H new ATOM 0 HG3 LYS A 48 8.698 12.472 -0.060 1.00 23.43 H new ATOM 0 HD2 LYS A 48 9.272 14.591 -2.170 1.00 42.31 H new ATOM 0 HD3 LYS A 48 9.990 14.547 -0.572 1.00 42.31 H new ATOM 0 HE2 LYS A 48 10.934 12.271 -1.111 1.00 21.22 H new ATOM 0 HE3 LYS A 48 10.303 12.432 -2.738 1.00 21.22 H new ATOM 0 HZ1 LYS A 48 12.619 13.082 -2.628 1.00 12.32 H new ATOM 0 HZ2 LYS A 48 11.659 14.422 -3.038 1.00 12.32 H new ATOM 0 HZ3 LYS A 48 12.271 14.266 -1.462 1.00 12.32 H new ATOM 851 N ARG A 49 4.606 12.064 -3.293 1.00 44.43 N ATOM 852 CA ARG A 49 3.856 11.690 -4.490 1.00 63.04 C ATOM 853 C ARG A 49 4.785 11.369 -5.665 1.00 31.43 C ATOM 854 O ARG A 49 4.466 10.533 -6.509 1.00 12.34 O ATOM 855 CB ARG A 49 2.899 12.827 -4.860 1.00 64.21 C ATOM 856 CG ARG A 49 3.568 14.193 -4.886 1.00 45.44 C ATOM 857 CD ARG A 49 2.551 15.321 -4.869 1.00 32.34 C ATOM 858 NE ARG A 49 3.194 16.625 -4.735 1.00 52.34 N ATOM 859 CZ ARG A 49 2.815 17.562 -3.866 1.00 13.43 C ATOM 860 NH1 ARG A 49 1.808 17.335 -3.027 1.00 53.32 N ATOM 861 NH2 ARG A 49 3.456 18.722 -3.828 1.00 20.14 N ATOM 0 H ARG A 49 4.320 12.956 -2.890 1.00 44.43 H new ATOM 0 HA ARG A 49 3.288 10.785 -4.273 1.00 63.04 H new ATOM 0 HB2 ARG A 49 2.466 12.624 -5.839 1.00 64.21 H new ATOM 0 HB3 ARG A 49 2.076 12.847 -4.145 1.00 64.21 H new ATOM 0 HG2 ARG A 49 4.231 14.289 -4.026 1.00 45.44 H new ATOM 0 HG3 ARG A 49 4.188 14.277 -5.778 1.00 45.44 H new ATOM 0 HD2 ARG A 49 1.965 15.297 -5.788 1.00 32.34 H new ATOM 0 HD3 ARG A 49 1.855 15.172 -4.043 1.00 32.34 H new ATOM 0 HE ARG A 49 3.984 16.832 -5.346 1.00 52.34 H new ATOM 0 HH11 ARG A 49 1.320 16.439 -3.046 1.00 53.32 H new ATOM 0 HH12 ARG A 49 1.523 18.057 -2.365 1.00 53.32 H new ATOM 0 HH21 ARG A 49 4.236 18.895 -4.462 1.00 20.14 H new ATOM 0 HH22 ARG A 49 3.169 19.442 -3.165 1.00 20.14 H new ATOM 875 N THR A 50 5.930 12.032 -5.704 1.00 73.34 N ATOM 876 CA THR A 50 6.920 11.801 -6.741 1.00 40.24 C ATOM 877 C THR A 50 7.584 10.437 -6.572 1.00 4.11 C ATOM 878 O THR A 50 7.764 9.698 -7.539 1.00 3.20 O ATOM 879 CB THR A 50 7.985 12.908 -6.720 1.00 3.11 C ATOM 880 OG1 THR A 50 8.323 13.222 -5.359 1.00 30.13 O ATOM 881 CG2 THR A 50 7.480 14.154 -7.433 1.00 74.04 C ATOM 0 H THR A 50 6.197 12.741 -5.021 1.00 73.34 H new ATOM 0 HA THR A 50 6.408 11.817 -7.703 1.00 40.24 H new ATOM 0 HB THR A 50 8.873 12.552 -7.243 1.00 3.11 H new ATOM 0 HG1 THR A 50 9.004 13.927 -5.345 1.00 30.13 H new ATOM 0 HG21 THR A 50 8.250 14.925 -7.406 1.00 74.04 H new ATOM 0 HG22 THR A 50 7.246 13.910 -8.469 1.00 74.04 H new ATOM 0 HG23 THR A 50 6.582 14.520 -6.935 1.00 74.04 H new ATOM 889 N GLU A 51 7.934 10.104 -5.336 1.00 32.43 N ATOM 890 CA GLU A 51 8.531 8.810 -5.025 1.00 20.34 C ATOM 891 C GLU A 51 7.518 7.693 -5.250 1.00 74.41 C ATOM 892 O GLU A 51 7.875 6.587 -5.658 1.00 44.21 O ATOM 893 CB GLU A 51 9.024 8.778 -3.579 1.00 64.53 C ATOM 894 CG GLU A 51 10.196 9.706 -3.309 1.00 60.13 C ATOM 895 CD GLU A 51 11.431 9.329 -4.100 1.00 60.42 C ATOM 896 OE1 GLU A 51 12.161 8.412 -3.671 1.00 52.42 O ATOM 897 OE2 GLU A 51 11.677 9.946 -5.159 1.00 12.52 O ATOM 0 H GLU A 51 7.814 10.715 -4.528 1.00 32.43 H new ATOM 0 HA GLU A 51 9.382 8.659 -5.689 1.00 20.34 H new ATOM 0 HB2 GLU A 51 8.200 9.047 -2.918 1.00 64.53 H new ATOM 0 HB3 GLU A 51 9.315 7.758 -3.327 1.00 64.53 H new ATOM 0 HG2 GLU A 51 9.909 10.728 -3.555 1.00 60.13 H new ATOM 0 HG3 GLU A 51 10.431 9.688 -2.245 1.00 60.13 H new ATOM 904 N TYR A 52 6.255 8.001 -4.982 1.00 75.24 N ATOM 905 CA TYR A 52 5.168 7.061 -5.198 1.00 3.05 C ATOM 906 C TYR A 52 5.054 6.715 -6.682 1.00 43.22 C ATOM 907 O TYR A 52 4.726 5.585 -7.041 1.00 51.14 O ATOM 908 CB TYR A 52 3.850 7.639 -4.669 1.00 23.02 C ATOM 909 CG TYR A 52 2.718 6.637 -4.634 1.00 15.12 C ATOM 910 CD1 TYR A 52 2.863 5.420 -3.976 1.00 43.20 C ATOM 911 CD2 TYR A 52 1.506 6.903 -5.257 1.00 70.34 C ATOM 912 CE1 TYR A 52 1.834 4.500 -3.943 1.00 32.43 C ATOM 913 CE2 TYR A 52 0.473 5.988 -5.229 1.00 33.20 C ATOM 914 CZ TYR A 52 0.640 4.789 -4.570 1.00 43.42 C ATOM 915 OH TYR A 52 -0.387 3.872 -4.546 1.00 4.41 O ATOM 0 H TYR A 52 5.959 8.904 -4.611 1.00 75.24 H new ATOM 0 HA TYR A 52 5.382 6.144 -4.649 1.00 3.05 H new ATOM 0 HB2 TYR A 52 4.011 8.027 -3.663 1.00 23.02 H new ATOM 0 HB3 TYR A 52 3.557 8.483 -5.293 1.00 23.02 H new ATOM 0 HD1 TYR A 52 3.796 5.191 -3.483 1.00 43.20 H new ATOM 0 HD2 TYR A 52 1.369 7.842 -5.772 1.00 70.34 H new ATOM 0 HE1 TYR A 52 1.963 3.559 -3.429 1.00 32.43 H new ATOM 0 HE2 TYR A 52 -0.462 6.211 -5.721 1.00 33.20 H new ATOM 0 HH TYR A 52 -1.213 4.314 -4.259 1.00 4.41 H new ATOM 925 N GLN A 53 5.333 7.697 -7.537 1.00 70.24 N ATOM 926 CA GLN A 53 5.368 7.477 -8.982 1.00 11.31 C ATOM 927 C GLN A 53 6.347 6.357 -9.331 1.00 72.21 C ATOM 928 O GLN A 53 6.028 5.473 -10.126 1.00 0.24 O ATOM 929 CB GLN A 53 5.756 8.770 -9.708 1.00 31.21 C ATOM 930 CG GLN A 53 5.998 8.598 -11.204 1.00 44.55 C ATOM 931 CD GLN A 53 4.752 8.205 -11.976 1.00 74.14 C ATOM 932 OE1 GLN A 53 4.829 7.497 -12.980 1.00 72.31 O ATOM 933 NE2 GLN A 53 3.599 8.676 -11.530 1.00 1.33 N ATOM 0 H GLN A 53 5.539 8.655 -7.254 1.00 70.24 H new ATOM 0 HA GLN A 53 4.372 7.178 -9.310 1.00 11.31 H new ATOM 0 HB2 GLN A 53 4.966 9.507 -9.561 1.00 31.21 H new ATOM 0 HB3 GLN A 53 6.658 9.174 -9.249 1.00 31.21 H new ATOM 0 HG2 GLN A 53 6.389 9.531 -11.611 1.00 44.55 H new ATOM 0 HG3 GLN A 53 6.765 7.838 -11.355 1.00 44.55 H new ATOM 0 HE21 GLN A 53 3.576 9.260 -10.694 1.00 1.33 H new ATOM 0 HE22 GLN A 53 2.733 8.455 -12.022 1.00 1.33 H new ATOM 942 N LYS A 54 7.533 6.388 -8.721 1.00 24.12 N ATOM 943 CA LYS A 54 8.530 5.345 -8.949 1.00 31.04 C ATOM 944 C LYS A 54 8.035 4.007 -8.424 1.00 51.33 C ATOM 945 O LYS A 54 8.121 2.996 -9.111 1.00 75.20 O ATOM 946 CB LYS A 54 9.871 5.687 -8.289 1.00 12.23 C ATOM 947 CG LYS A 54 10.820 6.485 -9.176 1.00 12.41 C ATOM 948 CD LYS A 54 10.417 7.945 -9.296 1.00 64.13 C ATOM 949 CE LYS A 54 10.576 8.681 -7.974 1.00 43.44 C ATOM 950 NZ LYS A 54 11.949 8.552 -7.410 1.00 14.32 N ATOM 0 H LYS A 54 7.824 7.118 -8.071 1.00 24.12 H new ATOM 0 HA LYS A 54 8.684 5.279 -10.026 1.00 31.04 H new ATOM 0 HB2 LYS A 54 9.680 6.254 -7.378 1.00 12.23 H new ATOM 0 HB3 LYS A 54 10.363 4.761 -7.991 1.00 12.23 H new ATOM 0 HG2 LYS A 54 11.830 6.423 -8.770 1.00 12.41 H new ATOM 0 HG3 LYS A 54 10.847 6.036 -10.169 1.00 12.41 H new ATOM 0 HD2 LYS A 54 11.027 8.430 -10.058 1.00 64.13 H new ATOM 0 HD3 LYS A 54 9.381 8.011 -9.627 1.00 64.13 H new ATOM 0 HE2 LYS A 54 10.344 9.736 -8.119 1.00 43.44 H new ATOM 0 HE3 LYS A 54 9.854 8.292 -7.256 1.00 43.44 H new ATOM 0 HZ1 LYS A 54 12.115 9.314 -6.722 1.00 14.32 H new ATOM 0 HZ2 LYS A 54 12.045 7.631 -6.937 1.00 14.32 H new ATOM 0 HZ3 LYS A 54 12.647 8.621 -8.177 1.00 14.32 H new ATOM 964 N PHE A 55 7.495 4.015 -7.213 1.00 2.01 N ATOM 965 CA PHE A 55 6.979 2.797 -6.599 1.00 15.33 C ATOM 966 C PHE A 55 5.959 2.120 -7.514 1.00 25.23 C ATOM 967 O PHE A 55 5.944 0.895 -7.650 1.00 54.34 O ATOM 968 CB PHE A 55 6.351 3.118 -5.239 1.00 22.22 C ATOM 969 CG PHE A 55 5.736 1.928 -4.560 1.00 32.23 C ATOM 970 CD1 PHE A 55 6.530 0.893 -4.090 1.00 42.54 C ATOM 971 CD2 PHE A 55 4.363 1.843 -4.395 1.00 23.33 C ATOM 972 CE1 PHE A 55 5.963 -0.203 -3.470 1.00 15.34 C ATOM 973 CE2 PHE A 55 3.794 0.750 -3.775 1.00 10.21 C ATOM 974 CZ PHE A 55 4.594 -0.274 -3.312 1.00 70.55 C ATOM 0 H PHE A 55 7.402 4.851 -6.636 1.00 2.01 H new ATOM 0 HA PHE A 55 7.809 2.107 -6.448 1.00 15.33 H new ATOM 0 HB2 PHE A 55 7.115 3.542 -4.587 1.00 22.22 H new ATOM 0 HB3 PHE A 55 5.587 3.883 -5.374 1.00 22.22 H new ATOM 0 HD1 PHE A 55 7.602 0.944 -4.210 1.00 42.54 H new ATOM 0 HD2 PHE A 55 3.731 2.641 -4.756 1.00 23.33 H new ATOM 0 HE1 PHE A 55 6.591 -1.004 -3.109 1.00 15.34 H new ATOM 0 HE2 PHE A 55 2.722 0.696 -3.652 1.00 10.21 H new ATOM 0 HZ PHE A 55 4.149 -1.130 -2.826 1.00 70.55 H new ATOM 984 N LEU A 56 5.128 2.927 -8.159 1.00 54.24 N ATOM 985 CA LEU A 56 4.105 2.409 -9.050 1.00 61.31 C ATOM 986 C LEU A 56 4.699 1.911 -10.365 1.00 62.55 C ATOM 987 O LEU A 56 4.331 0.841 -10.842 1.00 62.44 O ATOM 988 CB LEU A 56 3.043 3.474 -9.326 1.00 14.33 C ATOM 989 CG LEU A 56 2.190 3.874 -8.120 1.00 41.33 C ATOM 990 CD1 LEU A 56 1.155 4.911 -8.527 1.00 34.34 C ATOM 991 CD2 LEU A 56 1.514 2.653 -7.514 1.00 51.21 C ATOM 0 H LEU A 56 5.144 3.944 -8.080 1.00 54.24 H new ATOM 0 HA LEU A 56 3.639 1.560 -8.550 1.00 61.31 H new ATOM 0 HB2 LEU A 56 3.537 4.365 -9.712 1.00 14.33 H new ATOM 0 HB3 LEU A 56 2.382 3.110 -10.113 1.00 14.33 H new ATOM 0 HG LEU A 56 2.842 4.313 -7.365 1.00 41.33 H new ATOM 0 HD11 LEU A 56 0.555 5.186 -7.659 1.00 34.34 H new ATOM 0 HD12 LEU A 56 1.660 5.796 -8.915 1.00 34.34 H new ATOM 0 HD13 LEU A 56 0.507 4.495 -9.299 1.00 34.34 H new ATOM 0 HD21 LEU A 56 0.912 2.958 -6.658 1.00 51.21 H new ATOM 0 HD22 LEU A 56 0.872 2.184 -8.260 1.00 51.21 H new ATOM 0 HD23 LEU A 56 2.273 1.941 -7.189 1.00 51.21 H new ATOM 1003 N ASN A 57 5.624 2.671 -10.949 1.00 74.54 N ATOM 1004 CA ASN A 57 6.176 2.297 -12.249 1.00 54.04 C ATOM 1005 C ASN A 57 7.126 1.102 -12.134 1.00 63.04 C ATOM 1006 O ASN A 57 7.307 0.358 -13.094 1.00 63.51 O ATOM 1007 CB ASN A 57 6.841 3.500 -12.959 1.00 12.12 C ATOM 1008 CG ASN A 57 8.092 4.051 -12.287 1.00 42.32 C ATOM 1009 OD1 ASN A 57 8.918 3.320 -11.751 1.00 2.51 O ATOM 1010 ND2 ASN A 57 8.235 5.370 -12.314 1.00 60.11 N ATOM 0 H ASN A 57 6.001 3.532 -10.552 1.00 74.54 H new ATOM 0 HA ASN A 57 5.342 1.983 -12.877 1.00 54.04 H new ATOM 0 HB2 ASN A 57 7.097 3.203 -13.976 1.00 12.12 H new ATOM 0 HB3 ASN A 57 6.108 4.303 -13.037 1.00 12.12 H new ATOM 0 HD21 ASN A 57 9.050 5.804 -11.881 1.00 60.11 H new ATOM 0 HD22 ASN A 57 7.530 5.950 -12.768 1.00 60.11 H new ATOM 1017 N GLU A 58 7.709 0.906 -10.955 1.00 5.44 N ATOM 1018 CA GLU A 58 8.524 -0.276 -10.699 1.00 13.24 C ATOM 1019 C GLU A 58 7.619 -1.487 -10.486 1.00 30.25 C ATOM 1020 O GLU A 58 7.937 -2.607 -10.894 1.00 2.23 O ATOM 1021 CB GLU A 58 9.419 -0.069 -9.469 1.00 2.41 C ATOM 1022 CG GLU A 58 10.437 1.050 -9.627 1.00 21.25 C ATOM 1023 CD GLU A 58 11.331 1.213 -8.411 1.00 50.02 C ATOM 1024 OE1 GLU A 58 10.923 1.894 -7.447 1.00 51.22 O ATOM 1025 OE2 GLU A 58 12.452 0.660 -8.418 1.00 63.22 O ATOM 0 H GLU A 58 7.633 1.547 -10.166 1.00 5.44 H new ATOM 0 HA GLU A 58 9.166 -0.448 -11.563 1.00 13.24 H new ATOM 0 HB2 GLU A 58 8.789 0.146 -8.606 1.00 2.41 H new ATOM 0 HB3 GLU A 58 9.946 -0.999 -9.255 1.00 2.41 H new ATOM 0 HG2 GLU A 58 11.056 0.850 -10.502 1.00 21.25 H new ATOM 0 HG3 GLU A 58 9.913 1.987 -9.814 1.00 21.25 H new ATOM 1032 N TYR A 59 6.476 -1.245 -9.861 1.00 12.00 N ATOM 1033 CA TYR A 59 5.518 -2.299 -9.568 1.00 1.41 C ATOM 1034 C TYR A 59 4.767 -2.709 -10.835 1.00 54.23 C ATOM 1035 O TYR A 59 4.472 -3.886 -11.039 1.00 3.01 O ATOM 1036 CB TYR A 59 4.532 -1.815 -8.498 1.00 75.44 C ATOM 1037 CG TYR A 59 3.705 -2.915 -7.868 1.00 52.03 C ATOM 1038 CD1 TYR A 59 4.181 -3.617 -6.768 1.00 1.21 C ATOM 1039 CD2 TYR A 59 2.452 -3.245 -8.367 1.00 62.34 C ATOM 1040 CE1 TYR A 59 3.432 -4.619 -6.184 1.00 3.34 C ATOM 1041 CE2 TYR A 59 1.696 -4.246 -7.788 1.00 14.44 C ATOM 1042 CZ TYR A 59 2.193 -4.929 -6.697 1.00 52.22 C ATOM 1043 OH TYR A 59 1.448 -5.930 -6.121 1.00 54.25 O ATOM 0 H TYR A 59 6.188 -0.319 -9.545 1.00 12.00 H new ATOM 0 HA TYR A 59 6.055 -3.171 -9.193 1.00 1.41 H new ATOM 0 HB2 TYR A 59 5.088 -1.301 -7.714 1.00 75.44 H new ATOM 0 HB3 TYR A 59 3.860 -1.082 -8.945 1.00 75.44 H new ATOM 0 HD1 TYR A 59 5.153 -3.375 -6.363 1.00 1.21 H new ATOM 0 HD2 TYR A 59 2.062 -2.711 -9.221 1.00 62.34 H new ATOM 0 HE1 TYR A 59 3.816 -5.156 -5.330 1.00 3.34 H new ATOM 0 HE2 TYR A 59 0.723 -4.492 -8.187 1.00 14.44 H new ATOM 0 HH TYR A 59 0.676 -5.540 -5.661 1.00 54.25 H new ATOM 1053 N GLY A 60 4.489 -1.730 -11.690 1.00 61.14 N ATOM 1054 CA GLY A 60 3.718 -1.972 -12.899 1.00 21.20 C ATOM 1055 C GLY A 60 4.509 -2.656 -14.000 1.00 32.10 C ATOM 1056 O GLY A 60 3.969 -2.956 -15.066 1.00 71.52 O ATOM 0 H GLY A 60 4.787 -0.762 -11.566 1.00 61.14 H new ATOM 0 HA2 GLY A 60 2.852 -2.586 -12.651 1.00 21.20 H new ATOM 0 HA3 GLY A 60 3.338 -1.022 -13.273 1.00 21.20 H new ATOM 1060 N LEU A 61 5.793 -2.879 -13.764 1.00 22.14 N ATOM 1061 CA LEU A 61 6.610 -3.630 -14.705 1.00 5.03 C ATOM 1062 C LEU A 61 6.572 -5.112 -14.364 1.00 74.41 C ATOM 1063 O LEU A 61 6.605 -5.968 -15.249 1.00 22.14 O ATOM 1064 CB LEU A 61 8.060 -3.132 -14.693 1.00 52.03 C ATOM 1065 CG LEU A 61 8.268 -1.689 -15.160 1.00 20.53 C ATOM 1066 CD1 LEU A 61 9.735 -1.303 -15.059 1.00 65.54 C ATOM 1067 CD2 LEU A 61 7.769 -1.513 -16.585 1.00 13.22 C ATOM 0 H LEU A 61 6.289 -2.553 -12.935 1.00 22.14 H new ATOM 0 HA LEU A 61 6.202 -3.478 -15.704 1.00 5.03 H new ATOM 0 HB2 LEU A 61 8.449 -3.226 -13.679 1.00 52.03 H new ATOM 0 HB3 LEU A 61 8.656 -3.789 -15.326 1.00 52.03 H new ATOM 0 HG LEU A 61 7.692 -1.031 -14.509 1.00 20.53 H new ATOM 0 HD11 LEU A 61 9.864 -0.274 -15.395 1.00 65.54 H new ATOM 0 HD12 LEU A 61 10.064 -1.391 -14.023 1.00 65.54 H new ATOM 0 HD13 LEU A 61 10.330 -1.967 -15.686 1.00 65.54 H new ATOM 0 HD21 LEU A 61 7.925 -0.481 -16.900 1.00 13.22 H new ATOM 0 HD22 LEU A 61 8.318 -2.182 -17.248 1.00 13.22 H new ATOM 0 HD23 LEU A 61 6.706 -1.749 -16.630 1.00 13.22 H new ATOM 1079 N THR A 62 6.494 -5.408 -13.076 1.00 65.01 N ATOM 1080 CA THR A 62 6.474 -6.783 -12.608 1.00 22.55 C ATOM 1081 C THR A 62 5.046 -7.304 -12.496 1.00 31.32 C ATOM 1082 O THR A 62 4.758 -8.459 -12.814 1.00 71.10 O ATOM 1083 CB THR A 62 7.174 -6.901 -11.240 1.00 4.20 C ATOM 1084 OG1 THR A 62 6.722 -5.852 -10.368 1.00 4.23 O ATOM 1085 CG2 THR A 62 8.685 -6.827 -11.394 1.00 4.00 C ATOM 0 H THR A 62 6.443 -4.710 -12.334 1.00 65.01 H new ATOM 0 HA THR A 62 7.011 -7.387 -13.339 1.00 22.55 H new ATOM 0 HB THR A 62 6.919 -7.869 -10.808 1.00 4.20 H new ATOM 0 HG1 THR A 62 6.006 -6.192 -9.792 1.00 4.23 H new ATOM 0 HG21 THR A 62 9.155 -6.913 -10.414 1.00 4.00 H new ATOM 0 HG22 THR A 62 9.026 -7.642 -12.033 1.00 4.00 H new ATOM 0 HG23 THR A 62 8.958 -5.873 -11.846 1.00 4.00 H new ATOM 1093 N HIS A 63 4.151 -6.436 -12.048 1.00 41.50 N ATOM 1094 CA HIS A 63 2.757 -6.795 -11.849 1.00 62.53 C ATOM 1095 C HIS A 63 1.883 -5.999 -12.804 1.00 31.20 C ATOM 1096 O HIS A 63 2.172 -4.838 -13.089 1.00 21.33 O ATOM 1097 CB HIS A 63 2.338 -6.526 -10.400 1.00 63.01 C ATOM 1098 CG HIS A 63 3.118 -7.311 -9.387 1.00 53.33 C ATOM 1099 ND1 HIS A 63 4.417 -7.006 -9.034 1.00 72.52 N ATOM 1100 CD2 HIS A 63 2.777 -8.393 -8.651 1.00 1.40 C ATOM 1101 CE1 HIS A 63 4.836 -7.869 -8.126 1.00 23.21 C ATOM 1102 NE2 HIS A 63 3.863 -8.720 -7.876 1.00 42.23 N ATOM 0 H HIS A 63 4.370 -5.468 -11.814 1.00 41.50 H new ATOM 0 HA HIS A 63 2.633 -7.859 -12.052 1.00 62.53 H new ATOM 0 HB2 HIS A 63 2.454 -5.463 -10.190 1.00 63.01 H new ATOM 0 HB3 HIS A 63 1.279 -6.759 -10.289 1.00 63.01 H new ATOM 0 HD2 HIS A 63 1.826 -8.905 -8.669 1.00 1.40 H new ATOM 0 HE1 HIS A 63 5.813 -7.875 -7.666 1.00 23.21 H new ATOM 0 HE2 HIS A 63 3.908 -9.495 -7.215 1.00 42.23 H new ATOM 1111 N SER A 64 0.829 -6.620 -13.303 1.00 61.43 N ATOM 1112 CA SER A 64 -0.028 -5.992 -14.293 1.00 60.22 C ATOM 1113 C SER A 64 -0.972 -4.971 -13.647 1.00 52.52 C ATOM 1114 O SER A 64 -0.946 -4.756 -12.428 1.00 1.13 O ATOM 1115 CB SER A 64 -0.819 -7.065 -15.050 1.00 44.22 C ATOM 1116 OG SER A 64 -1.528 -6.515 -16.149 1.00 14.20 O ATOM 0 H SER A 64 0.545 -7.563 -13.037 1.00 61.43 H new ATOM 0 HA SER A 64 0.601 -5.451 -15.000 1.00 60.22 H new ATOM 0 HB2 SER A 64 -0.137 -7.837 -15.406 1.00 44.22 H new ATOM 0 HB3 SER A 64 -1.520 -7.549 -14.370 1.00 44.22 H new ATOM 0 HG SER A 64 -2.020 -7.226 -16.610 1.00 14.20 H new ATOM 1122 N TYR A 65 -1.810 -4.361 -14.479 1.00 75.34 N ATOM 1123 CA TYR A 65 -2.700 -3.280 -14.063 1.00 70.14 C ATOM 1124 C TYR A 65 -3.621 -3.707 -12.930 1.00 65.40 C ATOM 1125 O TYR A 65 -3.856 -2.948 -11.993 1.00 32.22 O ATOM 1126 CB TYR A 65 -3.540 -2.808 -15.251 1.00 52.24 C ATOM 1127 CG TYR A 65 -4.493 -1.677 -14.921 1.00 45.41 C ATOM 1128 CD1 TYR A 65 -4.059 -0.357 -14.948 1.00 43.14 C ATOM 1129 CD2 TYR A 65 -5.825 -1.923 -14.592 1.00 35.12 C ATOM 1130 CE1 TYR A 65 -4.917 0.684 -14.654 1.00 74.31 C ATOM 1131 CE2 TYR A 65 -6.692 -0.884 -14.302 1.00 10.32 C ATOM 1132 CZ TYR A 65 -6.232 0.416 -14.333 1.00 53.13 C ATOM 1133 OH TYR A 65 -7.091 1.455 -14.049 1.00 34.24 O ATOM 0 H TYR A 65 -1.892 -4.603 -15.466 1.00 75.34 H new ATOM 0 HA TYR A 65 -2.075 -2.464 -13.700 1.00 70.14 H new ATOM 0 HB2 TYR A 65 -2.872 -2.485 -16.050 1.00 52.24 H new ATOM 0 HB3 TYR A 65 -4.113 -3.652 -15.636 1.00 52.24 H new ATOM 0 HD1 TYR A 65 -3.032 -0.142 -15.204 1.00 43.14 H new ATOM 0 HD2 TYR A 65 -6.186 -2.940 -14.563 1.00 35.12 H new ATOM 0 HE1 TYR A 65 -4.561 1.703 -14.675 1.00 74.31 H new ATOM 0 HE2 TYR A 65 -7.723 -1.090 -14.053 1.00 10.32 H new ATOM 0 HH TYR A 65 -7.980 1.098 -13.844 1.00 34.24 H new ATOM 1143 N GLU A 66 -4.142 -4.917 -13.020 1.00 50.03 N ATOM 1144 CA GLU A 66 -5.098 -5.402 -12.044 1.00 15.30 C ATOM 1145 C GLU A 66 -4.500 -5.405 -10.637 1.00 15.45 C ATOM 1146 O GLU A 66 -5.132 -4.954 -9.680 1.00 64.10 O ATOM 1147 CB GLU A 66 -5.555 -6.804 -12.423 1.00 64.33 C ATOM 1148 CG GLU A 66 -6.759 -7.267 -11.639 1.00 70.15 C ATOM 1149 CD GLU A 66 -7.184 -8.666 -12.016 1.00 22.52 C ATOM 1150 OE1 GLU A 66 -6.628 -9.631 -11.455 1.00 35.00 O ATOM 1151 OE2 GLU A 66 -8.073 -8.812 -12.877 1.00 22.10 O ATOM 0 H GLU A 66 -3.918 -5.582 -13.760 1.00 50.03 H new ATOM 0 HA GLU A 66 -5.956 -4.730 -12.042 1.00 15.30 H new ATOM 0 HB2 GLU A 66 -5.791 -6.828 -13.487 1.00 64.33 H new ATOM 0 HB3 GLU A 66 -4.734 -7.503 -12.263 1.00 64.33 H new ATOM 0 HG2 GLU A 66 -6.531 -7.233 -10.574 1.00 70.15 H new ATOM 0 HG3 GLU A 66 -7.587 -6.579 -11.810 1.00 70.15 H new ATOM 1158 N THR A 67 -3.273 -5.894 -10.525 1.00 22.14 N ATOM 1159 CA THR A 67 -2.610 -5.999 -9.236 1.00 1.23 C ATOM 1160 C THR A 67 -2.191 -4.623 -8.709 1.00 20.33 C ATOM 1161 O THR A 67 -2.360 -4.329 -7.523 1.00 53.53 O ATOM 1162 CB THR A 67 -1.383 -6.925 -9.324 1.00 75.51 C ATOM 1163 OG1 THR A 67 -1.744 -8.140 -9.997 1.00 40.51 O ATOM 1164 CG2 THR A 67 -0.851 -7.255 -7.939 1.00 25.35 C ATOM 0 H THR A 67 -2.717 -6.224 -11.314 1.00 22.14 H new ATOM 0 HA THR A 67 -3.326 -6.429 -8.536 1.00 1.23 H new ATOM 0 HB THR A 67 -0.602 -6.408 -9.882 1.00 75.51 H new ATOM 0 HG1 THR A 67 -0.962 -8.727 -10.054 1.00 40.51 H new ATOM 0 HG21 THR A 67 0.015 -7.910 -8.029 1.00 25.35 H new ATOM 0 HG22 THR A 67 -0.559 -6.335 -7.433 1.00 25.35 H new ATOM 0 HG23 THR A 67 -1.627 -7.757 -7.361 1.00 25.35 H new ATOM 1172 N ILE A 68 -1.665 -3.771 -9.590 1.00 10.11 N ATOM 1173 CA ILE A 68 -1.252 -2.431 -9.183 1.00 11.01 C ATOM 1174 C ILE A 68 -2.476 -1.601 -8.790 1.00 53.42 C ATOM 1175 O ILE A 68 -2.409 -0.771 -7.884 1.00 21.30 O ATOM 1176 CB ILE A 68 -0.419 -1.701 -10.274 1.00 32.34 C ATOM 1177 CG1 ILE A 68 0.161 -0.398 -9.714 1.00 32.22 C ATOM 1178 CG2 ILE A 68 -1.253 -1.419 -11.514 1.00 44.33 C ATOM 1179 CD1 ILE A 68 1.015 0.367 -10.703 1.00 5.52 C ATOM 0 H ILE A 68 -1.517 -3.982 -10.577 1.00 10.11 H new ATOM 0 HA ILE A 68 -0.598 -2.544 -8.318 1.00 11.01 H new ATOM 0 HB ILE A 68 0.400 -2.358 -10.566 1.00 32.34 H new ATOM 0 HG12 ILE A 68 -0.658 0.241 -9.385 1.00 32.22 H new ATOM 0 HG13 ILE A 68 0.760 -0.627 -8.833 1.00 32.22 H new ATOM 0 HG21 ILE A 68 -0.640 -0.908 -12.256 1.00 44.33 H new ATOM 0 HG22 ILE A 68 -1.617 -2.359 -11.929 1.00 44.33 H new ATOM 0 HG23 ILE A 68 -2.100 -0.788 -11.247 1.00 44.33 H new ATOM 0 HD11 ILE A 68 1.389 1.277 -10.233 1.00 5.52 H new ATOM 0 HD12 ILE A 68 1.856 -0.253 -11.014 1.00 5.52 H new ATOM 0 HD13 ILE A 68 0.416 0.629 -11.575 1.00 5.52 H new ATOM 1191 N ARG A 69 -3.599 -1.841 -9.470 1.00 34.52 N ATOM 1192 CA ARG A 69 -4.858 -1.189 -9.128 1.00 72.41 C ATOM 1193 C ARG A 69 -5.255 -1.536 -7.699 1.00 10.03 C ATOM 1194 O ARG A 69 -5.632 -0.663 -6.915 1.00 14.33 O ATOM 1195 CB ARG A 69 -5.967 -1.623 -10.088 1.00 72.24 C ATOM 1196 CG ARG A 69 -7.289 -0.912 -9.853 1.00 54.53 C ATOM 1197 CD ARG A 69 -8.394 -1.497 -10.711 1.00 42.41 C ATOM 1198 NE ARG A 69 -8.712 -2.871 -10.337 1.00 60.54 N ATOM 1199 CZ ARG A 69 -8.923 -3.849 -11.219 1.00 41.32 C ATOM 1200 NH1 ARG A 69 -8.846 -3.603 -12.519 1.00 20.13 N ATOM 1201 NH2 ARG A 69 -9.218 -5.070 -10.803 1.00 35.41 N ATOM 0 H ARG A 69 -3.659 -2.483 -10.260 1.00 34.52 H new ATOM 0 HA ARG A 69 -4.720 -0.111 -9.214 1.00 72.41 H new ATOM 0 HB2 ARG A 69 -5.642 -1.439 -11.112 1.00 72.24 H new ATOM 0 HB3 ARG A 69 -6.120 -2.698 -9.991 1.00 72.24 H new ATOM 0 HG2 ARG A 69 -7.564 -0.990 -8.801 1.00 54.53 H new ATOM 0 HG3 ARG A 69 -7.177 0.149 -10.075 1.00 54.53 H new ATOM 0 HD2 ARG A 69 -9.288 -0.881 -10.619 1.00 42.41 H new ATOM 0 HD3 ARG A 69 -8.093 -1.467 -11.758 1.00 42.41 H new ATOM 0 HE ARG A 69 -8.777 -3.096 -9.344 1.00 60.54 H new ATOM 0 HH11 ARG A 69 -8.625 -2.663 -12.848 1.00 20.13 H new ATOM 0 HH12 ARG A 69 -9.008 -4.353 -13.191 1.00 20.13 H new ATOM 0 HH21 ARG A 69 -9.285 -5.266 -9.804 1.00 35.41 H new ATOM 0 HH22 ARG A 69 -9.379 -5.815 -11.481 1.00 35.41 H new ATOM 1215 N LYS A 70 -5.162 -2.820 -7.369 1.00 2.35 N ATOM 1216 CA LYS A 70 -5.420 -3.283 -6.012 1.00 32.31 C ATOM 1217 C LYS A 70 -4.489 -2.593 -5.029 1.00 55.52 C ATOM 1218 O LYS A 70 -4.940 -2.032 -4.032 1.00 61.41 O ATOM 1219 CB LYS A 70 -5.251 -4.800 -5.924 1.00 33.45 C ATOM 1220 CG LYS A 70 -6.504 -5.561 -6.305 1.00 55.23 C ATOM 1221 CD LYS A 70 -6.225 -7.038 -6.520 1.00 3.15 C ATOM 1222 CE LYS A 70 -7.492 -7.797 -6.879 1.00 53.34 C ATOM 1223 NZ LYS A 70 -8.487 -7.768 -5.776 1.00 55.21 N ATOM 0 H LYS A 70 -4.909 -3.559 -8.025 1.00 2.35 H new ATOM 0 HA LYS A 70 -6.448 -3.031 -5.753 1.00 32.31 H new ATOM 0 HB2 LYS A 70 -4.434 -5.107 -6.577 1.00 33.45 H new ATOM 0 HB3 LYS A 70 -4.965 -5.069 -4.907 1.00 33.45 H new ATOM 0 HG2 LYS A 70 -7.253 -5.443 -5.522 1.00 55.23 H new ATOM 0 HG3 LYS A 70 -6.925 -5.135 -7.215 1.00 55.23 H new ATOM 0 HD2 LYS A 70 -5.490 -7.159 -7.315 1.00 3.15 H new ATOM 0 HD3 LYS A 70 -5.789 -7.463 -5.616 1.00 3.15 H new ATOM 0 HE2 LYS A 70 -7.933 -7.364 -7.777 1.00 53.34 H new ATOM 0 HE3 LYS A 70 -7.241 -8.831 -7.114 1.00 53.34 H new ATOM 0 HZ1 LYS A 70 -9.224 -8.479 -5.955 1.00 55.21 H new ATOM 0 HZ2 LYS A 70 -8.013 -7.980 -4.875 1.00 55.21 H new ATOM 0 HZ3 LYS A 70 -8.921 -6.824 -5.725 1.00 55.21 H new ATOM 1237 N LEU A 71 -3.198 -2.615 -5.342 1.00 40.12 N ATOM 1238 CA LEU A 71 -2.182 -1.997 -4.500 1.00 52.12 C ATOM 1239 C LEU A 71 -2.536 -0.545 -4.189 1.00 52.34 C ATOM 1240 O LEU A 71 -2.587 -0.140 -3.025 1.00 22.14 O ATOM 1241 CB LEU A 71 -0.825 -2.056 -5.204 1.00 53.31 C ATOM 1242 CG LEU A 71 0.301 -1.279 -4.521 1.00 74.14 C ATOM 1243 CD1 LEU A 71 0.655 -1.907 -3.184 1.00 63.24 C ATOM 1244 CD2 LEU A 71 1.518 -1.204 -5.427 1.00 45.34 C ATOM 0 H LEU A 71 -2.828 -3.060 -6.182 1.00 40.12 H new ATOM 0 HA LEU A 71 -2.134 -2.547 -3.560 1.00 52.12 H new ATOM 0 HB2 LEU A 71 -0.524 -3.100 -5.289 1.00 53.31 H new ATOM 0 HB3 LEU A 71 -0.944 -1.675 -6.218 1.00 53.31 H new ATOM 0 HG LEU A 71 -0.046 -0.263 -4.331 1.00 74.14 H new ATOM 0 HD11 LEU A 71 1.458 -1.338 -2.716 1.00 63.24 H new ATOM 0 HD12 LEU A 71 -0.221 -1.899 -2.535 1.00 63.24 H new ATOM 0 HD13 LEU A 71 0.982 -2.935 -3.340 1.00 63.24 H new ATOM 0 HD21 LEU A 71 2.311 -0.648 -4.926 1.00 45.34 H new ATOM 0 HD22 LEU A 71 1.868 -2.212 -5.651 1.00 45.34 H new ATOM 0 HD23 LEU A 71 1.250 -0.698 -6.355 1.00 45.34 H new ATOM 1256 N ASN A 72 -2.792 0.225 -5.239 1.00 43.30 N ATOM 1257 CA ASN A 72 -3.136 1.635 -5.100 1.00 14.53 C ATOM 1258 C ASN A 72 -4.416 1.804 -4.283 1.00 60.53 C ATOM 1259 O ASN A 72 -4.521 2.712 -3.460 1.00 24.44 O ATOM 1260 CB ASN A 72 -3.292 2.267 -6.485 1.00 31.40 C ATOM 1261 CG ASN A 72 -3.608 3.753 -6.442 1.00 0.32 C ATOM 1262 OD1 ASN A 72 -4.771 4.154 -6.457 1.00 32.30 O ATOM 1263 ND2 ASN A 72 -2.575 4.577 -6.394 1.00 54.31 N ATOM 0 H ASN A 72 -2.768 -0.106 -6.203 1.00 43.30 H new ATOM 0 HA ASN A 72 -2.331 2.142 -4.568 1.00 14.53 H new ATOM 0 HB2 ASN A 72 -2.372 2.116 -7.050 1.00 31.40 H new ATOM 0 HB3 ASN A 72 -4.086 1.750 -7.024 1.00 31.40 H new ATOM 0 HD21 ASN A 72 -2.728 5.585 -6.368 1.00 54.31 H new ATOM 0 HD22 ASN A 72 -1.626 4.204 -6.383 1.00 54.31 H new ATOM 1270 N SER A 73 -5.371 0.904 -4.494 1.00 30.15 N ATOM 1271 CA SER A 73 -6.634 0.943 -3.772 1.00 22.34 C ATOM 1272 C SER A 73 -6.416 0.752 -2.273 1.00 73.41 C ATOM 1273 O SER A 73 -7.004 1.469 -1.463 1.00 51.34 O ATOM 1274 CB SER A 73 -7.588 -0.129 -4.309 1.00 70.02 C ATOM 1275 OG SER A 73 -8.826 -0.113 -3.614 1.00 1.43 O ATOM 0 H SER A 73 -5.292 0.137 -5.162 1.00 30.15 H new ATOM 0 HA SER A 73 -7.081 1.925 -3.928 1.00 22.34 H new ATOM 0 HB2 SER A 73 -7.763 0.037 -5.372 1.00 70.02 H new ATOM 0 HB3 SER A 73 -7.126 -1.112 -4.211 1.00 70.02 H new ATOM 0 HG SER A 73 -9.415 -0.806 -3.979 1.00 1.43 H new ATOM 1281 N TYR A 74 -5.572 -0.209 -1.910 1.00 0.02 N ATOM 1282 CA TYR A 74 -5.303 -0.493 -0.503 1.00 12.01 C ATOM 1283 C TYR A 74 -4.605 0.695 0.144 1.00 33.33 C ATOM 1284 O TYR A 74 -5.007 1.163 1.211 1.00 64.14 O ATOM 1285 CB TYR A 74 -4.428 -1.744 -0.346 1.00 22.22 C ATOM 1286 CG TYR A 74 -4.923 -2.958 -1.101 1.00 61.52 C ATOM 1287 CD1 TYR A 74 -6.276 -3.263 -1.174 1.00 21.44 C ATOM 1288 CD2 TYR A 74 -4.024 -3.802 -1.743 1.00 63.15 C ATOM 1289 CE1 TYR A 74 -6.718 -4.375 -1.866 1.00 2.04 C ATOM 1290 CE2 TYR A 74 -4.462 -4.913 -2.437 1.00 53.12 C ATOM 1291 CZ TYR A 74 -5.808 -5.193 -2.494 1.00 71.54 C ATOM 1292 OH TYR A 74 -6.248 -6.306 -3.175 1.00 30.14 O ATOM 0 H TYR A 74 -5.064 -0.802 -2.566 1.00 0.02 H new ATOM 0 HA TYR A 74 -6.258 -0.674 -0.010 1.00 12.01 H new ATOM 0 HB2 TYR A 74 -3.418 -1.510 -0.683 1.00 22.22 H new ATOM 0 HB3 TYR A 74 -4.361 -1.994 0.713 1.00 22.22 H new ATOM 0 HD1 TYR A 74 -6.993 -2.622 -0.683 1.00 21.44 H new ATOM 0 HD2 TYR A 74 -2.967 -3.586 -1.698 1.00 63.15 H new ATOM 0 HE1 TYR A 74 -7.773 -4.600 -1.913 1.00 2.04 H new ATOM 0 HE2 TYR A 74 -3.752 -5.559 -2.932 1.00 53.12 H new ATOM 0 HH TYR A 74 -5.481 -6.777 -3.563 1.00 30.14 H new ATOM 1302 N ILE A 75 -3.568 1.187 -0.524 1.00 13.22 N ATOM 1303 CA ILE A 75 -2.799 2.322 -0.031 1.00 63.13 C ATOM 1304 C ILE A 75 -3.684 3.556 0.132 1.00 54.21 C ATOM 1305 O ILE A 75 -3.674 4.204 1.179 1.00 5.23 O ATOM 1306 CB ILE A 75 -1.625 2.651 -0.983 1.00 75.34 C ATOM 1307 CG1 ILE A 75 -0.636 1.483 -1.027 1.00 33.31 C ATOM 1308 CG2 ILE A 75 -0.919 3.929 -0.555 1.00 52.32 C ATOM 1309 CD1 ILE A 75 0.501 1.681 -2.009 1.00 20.45 C ATOM 0 H ILE A 75 -3.239 0.814 -1.415 1.00 13.22 H new ATOM 0 HA ILE A 75 -2.398 2.044 0.944 1.00 63.13 H new ATOM 0 HB ILE A 75 -2.029 2.807 -1.983 1.00 75.34 H new ATOM 0 HG12 ILE A 75 -0.221 1.333 -0.030 1.00 33.31 H new ATOM 0 HG13 ILE A 75 -1.175 0.572 -1.288 1.00 33.31 H new ATOM 0 HG21 ILE A 75 -0.098 4.138 -1.240 1.00 52.32 H new ATOM 0 HG22 ILE A 75 -1.626 4.758 -0.572 1.00 52.32 H new ATOM 0 HG23 ILE A 75 -0.527 3.807 0.455 1.00 52.32 H new ATOM 0 HD11 ILE A 75 1.159 0.813 -1.983 1.00 20.45 H new ATOM 0 HD12 ILE A 75 0.097 1.800 -3.014 1.00 20.45 H new ATOM 0 HD13 ILE A 75 1.066 2.573 -1.737 1.00 20.45 H new ATOM 1321 N ARG A 76 -4.469 3.855 -0.894 1.00 11.22 N ATOM 1322 CA ARG A 76 -5.313 5.043 -0.886 1.00 31.44 C ATOM 1323 C ARG A 76 -6.406 4.930 0.175 1.00 0.42 C ATOM 1324 O ARG A 76 -6.793 5.926 0.782 1.00 21.32 O ATOM 1325 CB ARG A 76 -5.924 5.263 -2.271 1.00 30.34 C ATOM 1326 CG ARG A 76 -6.674 6.576 -2.408 1.00 2.12 C ATOM 1327 CD ARG A 76 -7.071 6.842 -3.851 1.00 2.41 C ATOM 1328 NE ARG A 76 -7.817 8.090 -3.993 1.00 32.51 N ATOM 1329 CZ ARG A 76 -7.559 9.016 -4.918 1.00 11.03 C ATOM 1330 NH1 ARG A 76 -6.569 8.838 -5.783 1.00 41.21 N ATOM 1331 NH2 ARG A 76 -8.294 10.119 -4.978 1.00 42.34 N ATOM 0 H ARG A 76 -4.539 3.292 -1.742 1.00 11.22 H new ATOM 0 HA ARG A 76 -4.694 5.904 -0.636 1.00 31.44 H new ATOM 0 HB2 ARG A 76 -5.131 5.229 -3.018 1.00 30.34 H new ATOM 0 HB3 ARG A 76 -6.605 4.441 -2.492 1.00 30.34 H new ATOM 0 HG2 ARG A 76 -7.566 6.554 -1.782 1.00 2.12 H new ATOM 0 HG3 ARG A 76 -6.050 7.392 -2.045 1.00 2.12 H new ATOM 0 HD2 ARG A 76 -6.176 6.882 -4.472 1.00 2.41 H new ATOM 0 HD3 ARG A 76 -7.677 6.014 -4.219 1.00 2.41 H new ATOM 0 HE ARG A 76 -8.584 8.264 -3.344 1.00 32.51 H new ATOM 0 HH11 ARG A 76 -6.002 7.991 -5.742 1.00 41.21 H new ATOM 0 HH12 ARG A 76 -6.375 9.548 -6.489 1.00 41.21 H new ATOM 0 HH21 ARG A 76 -9.057 10.260 -4.316 1.00 42.34 H new ATOM 0 HH22 ARG A 76 -8.096 10.826 -5.686 1.00 42.34 H new ATOM 1345 N ASN A 77 -6.890 3.713 0.411 1.00 43.14 N ATOM 1346 CA ASN A 77 -7.895 3.487 1.446 1.00 13.45 C ATOM 1347 C ASN A 77 -7.279 3.673 2.830 1.00 25.25 C ATOM 1348 O ASN A 77 -7.898 4.256 3.718 1.00 4.21 O ATOM 1349 CB ASN A 77 -8.506 2.085 1.322 1.00 4.25 C ATOM 1350 CG ASN A 77 -9.652 1.842 2.298 1.00 44.15 C ATOM 1351 OD1 ASN A 77 -9.896 0.709 2.710 1.00 4.55 O ATOM 1352 ND2 ASN A 77 -10.370 2.891 2.666 1.00 42.23 N ATOM 0 H ASN A 77 -6.605 2.875 -0.096 1.00 43.14 H new ATOM 0 HA ASN A 77 -8.692 4.219 1.311 1.00 13.45 H new ATOM 0 HB2 ASN A 77 -8.868 1.942 0.304 1.00 4.25 H new ATOM 0 HB3 ASN A 77 -7.728 1.340 1.492 1.00 4.25 H new ATOM 0 HD21 ASN A 77 -11.152 2.773 3.310 1.00 42.23 H new ATOM 0 HD22 ASN A 77 -10.141 3.817 2.306 1.00 42.23 H new ATOM 1359 N ALA A 78 -6.049 3.192 2.998 1.00 15.22 N ATOM 1360 CA ALA A 78 -5.321 3.365 4.251 1.00 64.51 C ATOM 1361 C ALA A 78 -5.122 4.847 4.559 1.00 45.10 C ATOM 1362 O ALA A 78 -5.309 5.289 5.695 1.00 13.53 O ATOM 1363 CB ALA A 78 -3.979 2.647 4.194 1.00 14.33 C ATOM 0 H ALA A 78 -5.536 2.679 2.281 1.00 15.22 H new ATOM 0 HA ALA A 78 -5.913 2.925 5.053 1.00 64.51 H new ATOM 0 HB1 ALA A 78 -3.451 2.787 5.137 1.00 14.33 H new ATOM 0 HB2 ALA A 78 -4.143 1.583 4.025 1.00 14.33 H new ATOM 0 HB3 ALA A 78 -3.382 3.056 3.379 1.00 14.33 H new ATOM 1369 N PHE A 79 -4.751 5.612 3.537 1.00 33.14 N ATOM 1370 CA PHE A 79 -4.596 7.053 3.681 1.00 70.43 C ATOM 1371 C PHE A 79 -5.938 7.724 3.935 1.00 22.23 C ATOM 1372 O PHE A 79 -6.019 8.675 4.707 1.00 20.13 O ATOM 1373 CB PHE A 79 -3.932 7.657 2.445 1.00 24.34 C ATOM 1374 CG PHE A 79 -2.432 7.576 2.474 1.00 14.24 C ATOM 1375 CD1 PHE A 79 -1.694 8.526 3.160 1.00 72.42 C ATOM 1376 CD2 PHE A 79 -1.762 6.558 1.815 1.00 35.43 C ATOM 1377 CE1 PHE A 79 -0.316 8.463 3.192 1.00 12.23 C ATOM 1378 CE2 PHE A 79 -0.382 6.490 1.843 1.00 71.44 C ATOM 1379 CZ PHE A 79 0.342 7.444 2.532 1.00 44.23 C ATOM 0 H PHE A 79 -4.553 5.257 2.601 1.00 33.14 H new ATOM 0 HA PHE A 79 -3.952 7.231 4.543 1.00 70.43 H new ATOM 0 HB2 PHE A 79 -4.299 7.143 1.557 1.00 24.34 H new ATOM 0 HB3 PHE A 79 -4.230 8.701 2.355 1.00 24.34 H new ATOM 0 HD1 PHE A 79 -2.203 9.326 3.676 1.00 72.42 H new ATOM 0 HD2 PHE A 79 -2.324 5.811 1.274 1.00 35.43 H new ATOM 0 HE1 PHE A 79 0.247 9.210 3.732 1.00 12.23 H new ATOM 0 HE2 PHE A 79 0.130 5.692 1.327 1.00 71.44 H new ATOM 0 HZ PHE A 79 1.421 7.393 2.554 1.00 44.23 H new ATOM 1389 N ASP A 80 -6.988 7.218 3.297 1.00 55.34 N ATOM 1390 CA ASP A 80 -8.330 7.763 3.478 1.00 32.03 C ATOM 1391 C ASP A 80 -8.779 7.613 4.924 1.00 43.20 C ATOM 1392 O ASP A 80 -9.360 8.531 5.493 1.00 62.54 O ATOM 1393 CB ASP A 80 -9.332 7.081 2.547 1.00 34.41 C ATOM 1394 CG ASP A 80 -10.723 7.681 2.656 1.00 31.12 C ATOM 1395 OD1 ASP A 80 -10.986 8.708 1.994 1.00 13.31 O ATOM 1396 OD2 ASP A 80 -11.566 7.122 3.388 1.00 64.34 O ATOM 0 H ASP A 80 -6.936 6.431 2.650 1.00 55.34 H new ATOM 0 HA ASP A 80 -8.294 8.823 3.227 1.00 32.03 H new ATOM 0 HB2 ASP A 80 -8.983 7.164 1.518 1.00 34.41 H new ATOM 0 HB3 ASP A 80 -9.378 6.018 2.783 1.00 34.41 H new ATOM 1401 N ASP A 81 -8.494 6.459 5.518 1.00 44.30 N ATOM 1402 CA ASP A 81 -8.817 6.228 6.924 1.00 53.15 C ATOM 1403 C ASP A 81 -8.026 7.179 7.817 1.00 42.43 C ATOM 1404 O ASP A 81 -8.551 7.713 8.796 1.00 52.13 O ATOM 1405 CB ASP A 81 -8.534 4.776 7.328 1.00 20.14 C ATOM 1406 CG ASP A 81 -9.599 3.805 6.849 1.00 32.42 C ATOM 1407 OD1 ASP A 81 -10.681 4.256 6.424 1.00 21.24 O ATOM 1408 OD2 ASP A 81 -9.366 2.577 6.914 1.00 34.24 O ATOM 0 H ASP A 81 -8.042 5.672 5.052 1.00 44.30 H new ATOM 0 HA ASP A 81 -9.882 6.419 7.055 1.00 53.15 H new ATOM 0 HB2 ASP A 81 -7.568 4.475 6.923 1.00 20.14 H new ATOM 0 HB3 ASP A 81 -8.458 4.716 8.414 1.00 20.14 H new ATOM 1413 N ALA A 82 -6.767 7.404 7.457 1.00 33.40 N ATOM 1414 CA ALA A 82 -5.891 8.286 8.219 1.00 41.44 C ATOM 1415 C ALA A 82 -6.324 9.746 8.089 1.00 12.30 C ATOM 1416 O ALA A 82 -6.443 10.459 9.085 1.00 22.24 O ATOM 1417 CB ALA A 82 -4.447 8.120 7.767 1.00 71.24 C ATOM 0 H ALA A 82 -6.328 6.985 6.637 1.00 33.40 H new ATOM 0 HA ALA A 82 -5.966 8.006 9.270 1.00 41.44 H new ATOM 0 HB1 ALA A 82 -3.806 8.785 8.345 1.00 71.24 H new ATOM 0 HB2 ALA A 82 -4.133 7.088 7.923 1.00 71.24 H new ATOM 0 HB3 ALA A 82 -4.366 8.368 6.709 1.00 71.24 H new ATOM 1423 N ILE A 83 -6.559 10.186 6.859 1.00 23.53 N ATOM 1424 CA ILE A 83 -6.988 11.557 6.601 1.00 11.05 C ATOM 1425 C ILE A 83 -8.373 11.796 7.191 1.00 22.34 C ATOM 1426 O ILE A 83 -8.691 12.900 7.624 1.00 3.22 O ATOM 1427 CB ILE A 83 -6.969 11.893 5.086 1.00 74.23 C ATOM 1428 CG1 ILE A 83 -7.135 13.399 4.863 1.00 22.31 C ATOM 1429 CG2 ILE A 83 -8.046 11.125 4.331 1.00 33.21 C ATOM 1430 CD1 ILE A 83 -7.035 13.813 3.410 1.00 43.32 C ATOM 0 H ILE A 83 -6.460 9.612 6.022 1.00 23.53 H new ATOM 0 HA ILE A 83 -6.277 12.225 7.088 1.00 11.05 H new ATOM 0 HB ILE A 83 -6.000 11.585 4.694 1.00 74.23 H new ATOM 0 HG12 ILE A 83 -8.103 13.711 5.255 1.00 22.31 H new ATOM 0 HG13 ILE A 83 -6.374 13.928 5.436 1.00 22.31 H new ATOM 0 HG21 ILE A 83 -8.004 11.384 3.273 1.00 33.21 H new ATOM 0 HG22 ILE A 83 -7.880 10.054 4.449 1.00 33.21 H new ATOM 0 HG23 ILE A 83 -9.026 11.386 4.730 1.00 33.21 H new ATOM 0 HD11 ILE A 83 -7.162 14.893 3.330 1.00 43.32 H new ATOM 0 HD12 ILE A 83 -6.057 13.533 3.018 1.00 43.32 H new ATOM 0 HD13 ILE A 83 -7.813 13.312 2.835 1.00 43.32 H new ATOM 1442 N HIS A 84 -9.178 10.741 7.222 1.00 33.33 N ATOM 1443 CA HIS A 84 -10.508 10.792 7.819 1.00 54.03 C ATOM 1444 C HIS A 84 -10.417 11.191 9.294 1.00 61.41 C ATOM 1445 O HIS A 84 -11.336 11.799 9.845 1.00 44.41 O ATOM 1446 CB HIS A 84 -11.173 9.422 7.682 1.00 0.42 C ATOM 1447 CG HIS A 84 -12.664 9.435 7.789 1.00 22.21 C ATOM 1448 ND1 HIS A 84 -13.368 8.526 8.546 1.00 71.43 N ATOM 1449 CD2 HIS A 84 -13.589 10.216 7.188 1.00 43.14 C ATOM 1450 CE1 HIS A 84 -14.660 8.746 8.403 1.00 21.42 C ATOM 1451 NE2 HIS A 84 -14.822 9.767 7.584 1.00 15.33 N ATOM 0 H HIS A 84 -8.930 9.830 6.836 1.00 33.33 H new ATOM 0 HA HIS A 84 -11.107 11.540 7.300 1.00 54.03 H new ATOM 0 HB2 HIS A 84 -10.896 8.994 6.719 1.00 0.42 H new ATOM 0 HB3 HIS A 84 -10.773 8.761 8.451 1.00 0.42 H new ATOM 0 HD2 HIS A 84 -13.393 11.041 6.519 1.00 43.14 H new ATOM 0 HE1 HIS A 84 -15.452 8.185 8.877 1.00 21.42 H new ATOM 0 HE2 HIS A 84 -15.718 10.158 7.293 1.00 15.33 H new ATOM 1460 N GLU A 85 -9.290 10.855 9.918 1.00 63.33 N ATOM 1461 CA GLU A 85 -9.050 11.203 11.316 1.00 73.32 C ATOM 1462 C GLU A 85 -8.305 12.527 11.417 1.00 4.02 C ATOM 1463 O GLU A 85 -8.248 13.140 12.483 1.00 33.23 O ATOM 1464 CB GLU A 85 -8.231 10.119 12.015 1.00 15.42 C ATOM 1465 CG GLU A 85 -8.889 8.753 12.027 1.00 51.32 C ATOM 1466 CD GLU A 85 -8.118 7.759 12.869 1.00 42.24 C ATOM 1467 OE1 GLU A 85 -7.084 7.247 12.394 1.00 24.42 O ATOM 1468 OE2 GLU A 85 -8.533 7.495 14.022 1.00 53.44 O ATOM 0 H GLU A 85 -8.528 10.341 9.476 1.00 63.33 H new ATOM 0 HA GLU A 85 -10.020 11.291 11.804 1.00 73.32 H new ATOM 0 HB2 GLU A 85 -7.261 10.038 11.524 1.00 15.42 H new ATOM 0 HB3 GLU A 85 -8.043 10.428 13.043 1.00 15.42 H new ATOM 0 HG2 GLU A 85 -9.905 8.843 12.412 1.00 51.32 H new ATOM 0 HG3 GLU A 85 -8.967 8.379 11.006 1.00 51.32 H new ATOM 1475 N GLY A 86 -7.723 12.953 10.307 1.00 25.05 N ATOM 1476 CA GLY A 86 -6.925 14.162 10.300 1.00 34.21 C ATOM 1477 C GLY A 86 -5.457 13.869 10.536 1.00 14.15 C ATOM 1478 O GLY A 86 -4.665 14.781 10.767 1.00 14.43 O ATOM 0 H GLY A 86 -7.789 12.480 9.406 1.00 25.05 H new ATOM 0 HA2 GLY A 86 -7.045 14.671 9.344 1.00 34.21 H new ATOM 0 HA3 GLY A 86 -7.288 14.842 11.071 1.00 34.21 H new ATOM 1482 N TYR A 87 -5.097 12.591 10.463 1.00 35.12 N ATOM 1483 CA TYR A 87 -3.731 12.155 10.737 1.00 2.42 C ATOM 1484 C TYR A 87 -2.777 12.578 9.617 1.00 74.24 C ATOM 1485 O TYR A 87 -1.626 12.935 9.871 1.00 63.34 O ATOM 1486 CB TYR A 87 -3.693 10.633 10.938 1.00 11.33 C ATOM 1487 CG TYR A 87 -2.309 10.079 11.202 1.00 21.23 C ATOM 1488 CD1 TYR A 87 -1.477 10.656 12.152 1.00 51.52 C ATOM 1489 CD2 TYR A 87 -1.837 8.981 10.498 1.00 63.03 C ATOM 1490 CE1 TYR A 87 -0.212 10.154 12.391 1.00 61.34 C ATOM 1491 CE2 TYR A 87 -0.576 8.470 10.734 1.00 42.33 C ATOM 1492 CZ TYR A 87 0.236 9.062 11.680 1.00 14.03 C ATOM 1493 OH TYR A 87 1.500 8.564 11.908 1.00 3.05 O ATOM 0 H TYR A 87 -5.736 11.835 10.215 1.00 35.12 H new ATOM 0 HA TYR A 87 -3.396 12.639 11.654 1.00 2.42 H new ATOM 0 HB2 TYR A 87 -4.343 10.371 11.773 1.00 11.33 H new ATOM 0 HB3 TYR A 87 -4.103 10.150 10.051 1.00 11.33 H new ATOM 0 HD1 TYR A 87 -1.824 11.511 12.713 1.00 51.52 H new ATOM 0 HD2 TYR A 87 -2.466 8.518 9.753 1.00 63.03 H new ATOM 0 HE1 TYR A 87 0.423 10.616 13.132 1.00 61.34 H new ATOM 0 HE2 TYR A 87 -0.227 7.611 10.181 1.00 42.33 H new ATOM 0 HH TYR A 87 1.754 8.731 12.840 1.00 3.05 H new ATOM 1503 N VAL A 88 -3.251 12.540 8.381 1.00 23.11 N ATOM 1504 CA VAL A 88 -2.450 13.002 7.255 1.00 73.22 C ATOM 1505 C VAL A 88 -3.099 14.218 6.606 1.00 72.13 C ATOM 1506 O VAL A 88 -4.327 14.338 6.577 1.00 72.31 O ATOM 1507 CB VAL A 88 -2.219 11.899 6.197 1.00 75.04 C ATOM 1508 CG1 VAL A 88 -1.398 10.758 6.782 1.00 61.41 C ATOM 1509 CG2 VAL A 88 -3.538 11.381 5.643 1.00 74.23 C ATOM 0 H VAL A 88 -4.179 12.197 8.132 1.00 23.11 H new ATOM 0 HA VAL A 88 -1.474 13.277 7.654 1.00 73.22 H new ATOM 0 HB VAL A 88 -1.660 12.340 5.372 1.00 75.04 H new ATOM 0 HG11 VAL A 88 -1.246 9.992 6.022 1.00 61.41 H new ATOM 0 HG12 VAL A 88 -0.431 11.138 7.113 1.00 61.41 H new ATOM 0 HG13 VAL A 88 -1.928 10.327 7.631 1.00 61.41 H new ATOM 0 HG21 VAL A 88 -3.342 10.607 4.901 1.00 74.23 H new ATOM 0 HG22 VAL A 88 -4.135 10.964 6.454 1.00 74.23 H new ATOM 0 HG23 VAL A 88 -4.083 12.201 5.176 1.00 74.23 H new ATOM 1519 N ILE A 89 -2.271 15.129 6.110 1.00 15.44 N ATOM 1520 CA ILE A 89 -2.764 16.370 5.531 1.00 31.34 C ATOM 1521 C ILE A 89 -3.275 16.157 4.103 1.00 14.33 C ATOM 1522 O ILE A 89 -4.392 16.556 3.773 1.00 22.10 O ATOM 1523 CB ILE A 89 -1.683 17.481 5.568 1.00 61.43 C ATOM 1524 CG1 ILE A 89 -2.219 18.775 4.956 1.00 33.43 C ATOM 1525 CG2 ILE A 89 -0.402 17.045 4.868 1.00 63.13 C ATOM 1526 CD1 ILE A 89 -3.379 19.365 5.724 1.00 33.44 C ATOM 0 H ILE A 89 -1.256 15.031 6.098 1.00 15.44 H new ATOM 0 HA ILE A 89 -3.604 16.699 6.142 1.00 31.34 H new ATOM 0 HB ILE A 89 -1.438 17.666 6.614 1.00 61.43 H new ATOM 0 HG12 ILE A 89 -1.413 19.508 4.909 1.00 33.43 H new ATOM 0 HG13 ILE A 89 -2.533 18.581 3.930 1.00 33.43 H new ATOM 0 HG21 ILE A 89 0.331 17.851 4.915 1.00 63.13 H new ATOM 0 HG22 ILE A 89 -0.001 16.160 5.362 1.00 63.13 H new ATOM 0 HG23 ILE A 89 -0.618 16.812 3.825 1.00 63.13 H new ATOM 0 HD11 ILE A 89 -3.710 20.281 5.235 1.00 33.44 H new ATOM 0 HD12 ILE A 89 -4.201 18.649 5.749 1.00 33.44 H new ATOM 0 HD13 ILE A 89 -3.064 19.591 6.743 1.00 33.44 H new ATOM 1538 N LYS A 90 -2.463 15.526 3.265 1.00 72.43 N ATOM 1539 CA LYS A 90 -2.850 15.233 1.891 1.00 74.22 C ATOM 1540 C LYS A 90 -2.315 13.870 1.486 1.00 2.33 C ATOM 1541 O LYS A 90 -1.372 13.362 2.092 1.00 1.11 O ATOM 1542 CB LYS A 90 -2.350 16.317 0.923 1.00 21.21 C ATOM 1543 CG LYS A 90 -3.086 17.641 1.062 1.00 72.11 C ATOM 1544 CD LYS A 90 -2.672 18.646 -0.003 1.00 20.44 C ATOM 1545 CE LYS A 90 -3.473 19.932 0.128 1.00 74.24 C ATOM 1546 NZ LYS A 90 -3.070 20.966 -0.863 1.00 63.43 N ATOM 0 H LYS A 90 -1.527 15.206 3.515 1.00 72.43 H new ATOM 0 HA LYS A 90 -3.939 15.222 1.837 1.00 74.22 H new ATOM 0 HB2 LYS A 90 -1.286 16.482 1.093 1.00 21.21 H new ATOM 0 HB3 LYS A 90 -2.457 15.957 -0.100 1.00 21.21 H new ATOM 0 HG2 LYS A 90 -4.160 17.466 0.996 1.00 72.11 H new ATOM 0 HG3 LYS A 90 -2.892 18.060 2.049 1.00 72.11 H new ATOM 0 HD2 LYS A 90 -1.608 18.864 0.090 1.00 20.44 H new ATOM 0 HD3 LYS A 90 -2.824 18.217 -0.993 1.00 20.44 H new ATOM 0 HE2 LYS A 90 -4.533 19.709 0.003 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -3.348 20.332 1.134 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -3.648 21.820 -0.728 1.00 63.43 H new ATOM 0 HZ2 LYS A 90 -2.066 21.202 -0.729 1.00 63.43 H new ATOM 0 HZ3 LYS A 90 -3.214 20.599 -1.825 1.00 63.43 H new ATOM 1560 N ASN A 91 -2.919 13.284 0.464 1.00 5.32 N ATOM 1561 CA ASN A 91 -2.566 11.937 0.036 1.00 51.14 C ATOM 1562 C ASN A 91 -1.566 11.977 -1.115 1.00 23.44 C ATOM 1563 O ASN A 91 -1.635 12.855 -1.977 1.00 31.13 O ATOM 1564 CB ASN A 91 -3.822 11.167 -0.389 1.00 1.35 C ATOM 1565 CG ASN A 91 -4.792 10.956 0.758 1.00 53.42 C ATOM 1566 OD1 ASN A 91 -4.394 10.850 1.915 1.00 51.33 O ATOM 1567 ND2 ASN A 91 -6.076 10.898 0.443 1.00 53.11 N ATOM 0 H ASN A 91 -3.658 13.721 -0.087 1.00 5.32 H new ATOM 0 HA ASN A 91 -2.102 11.425 0.879 1.00 51.14 H new ATOM 0 HB2 ASN A 91 -4.324 11.711 -1.189 1.00 1.35 H new ATOM 0 HB3 ASN A 91 -3.530 10.199 -0.796 1.00 1.35 H new ATOM 0 HD21 ASN A 91 -6.775 10.761 1.173 1.00 53.11 H new ATOM 0 HD22 ASN A 91 -6.367 10.990 -0.530 1.00 53.11 H new ATOM 1574 N PRO A 92 -0.617 11.025 -1.140 1.00 40.33 N ATOM 1575 CA PRO A 92 0.393 10.935 -2.199 1.00 1.11 C ATOM 1576 C PRO A 92 -0.200 10.509 -3.541 1.00 4.15 C ATOM 1577 O PRO A 92 0.424 10.686 -4.590 1.00 61.00 O ATOM 1578 CB PRO A 92 1.363 9.869 -1.681 1.00 23.20 C ATOM 1579 CG PRO A 92 0.550 9.037 -0.753 1.00 5.11 C ATOM 1580 CD PRO A 92 -0.441 9.973 -0.122 1.00 0.20 C ATOM 0 HA PRO A 92 0.862 11.900 -2.391 1.00 1.11 H new ATOM 0 HB2 PRO A 92 1.767 9.271 -2.498 1.00 23.20 H new ATOM 0 HB3 PRO A 92 2.211 10.322 -1.167 1.00 23.20 H new ATOM 0 HG2 PRO A 92 0.043 8.235 -1.290 1.00 5.11 H new ATOM 0 HG3 PRO A 92 1.179 8.567 0.003 1.00 5.11 H new ATOM 0 HD2 PRO A 92 -1.382 9.470 0.102 1.00 0.20 H new ATOM 0 HD3 PRO A 92 -0.066 10.381 0.817 1.00 0.20 H new ATOM 1588 N THR A 93 -1.405 9.949 -3.505 1.00 73.33 N ATOM 1589 CA THR A 93 -2.093 9.543 -4.720 1.00 12.21 C ATOM 1590 C THR A 93 -2.647 10.768 -5.443 1.00 1.33 C ATOM 1591 O THR A 93 -3.839 11.070 -5.374 1.00 54.44 O ATOM 1592 CB THR A 93 -3.228 8.544 -4.420 1.00 63.45 C ATOM 1593 OG1 THR A 93 -4.093 9.077 -3.406 1.00 42.20 O ATOM 1594 CG2 THR A 93 -2.669 7.208 -3.954 1.00 42.13 C ATOM 0 H THR A 93 -1.923 9.767 -2.646 1.00 73.33 H new ATOM 0 HA THR A 93 -1.370 9.042 -5.363 1.00 12.21 H new ATOM 0 HB THR A 93 -3.791 8.385 -5.340 1.00 63.45 H new ATOM 0 HG1 THR A 93 -4.380 9.978 -3.662 1.00 42.20 H new ATOM 0 HG21 THR A 93 -3.490 6.521 -3.749 1.00 42.13 H new ATOM 0 HG22 THR A 93 -2.031 6.789 -4.732 1.00 42.13 H new ATOM 0 HG23 THR A 93 -2.084 7.355 -3.046 1.00 42.13 H new ATOM 1602 N TYR A 94 -1.751 11.487 -6.098 1.00 65.20 N ATOM 1603 CA TYR A 94 -2.086 12.732 -6.767 1.00 70.32 C ATOM 1604 C TYR A 94 -1.288 12.859 -8.057 1.00 55.23 C ATOM 1605 O TYR A 94 -1.847 12.873 -9.148 1.00 33.20 O ATOM 1606 CB TYR A 94 -1.785 13.910 -5.829 1.00 65.21 C ATOM 1607 CG TYR A 94 -1.943 15.282 -6.455 1.00 12.12 C ATOM 1608 CD1 TYR A 94 -3.181 15.911 -6.501 1.00 64.54 C ATOM 1609 CD2 TYR A 94 -0.848 15.950 -6.991 1.00 23.13 C ATOM 1610 CE1 TYR A 94 -3.321 17.167 -7.062 1.00 63.30 C ATOM 1611 CE2 TYR A 94 -0.980 17.203 -7.554 1.00 45.42 C ATOM 1612 CZ TYR A 94 -2.218 17.807 -7.588 1.00 21.20 C ATOM 1613 OH TYR A 94 -2.350 19.060 -8.143 1.00 13.15 O ATOM 0 H TYR A 94 -0.769 11.223 -6.181 1.00 65.20 H new ATOM 0 HA TYR A 94 -3.147 12.739 -7.017 1.00 70.32 H new ATOM 0 HB2 TYR A 94 -2.444 13.844 -4.963 1.00 65.21 H new ATOM 0 HB3 TYR A 94 -0.764 13.810 -5.461 1.00 65.21 H new ATOM 0 HD1 TYR A 94 -4.047 15.411 -6.092 1.00 64.54 H new ATOM 0 HD2 TYR A 94 0.124 15.480 -6.966 1.00 23.13 H new ATOM 0 HE1 TYR A 94 -4.289 17.645 -7.088 1.00 63.30 H new ATOM 0 HE2 TYR A 94 -0.118 17.707 -7.966 1.00 45.42 H new ATOM 0 HH TYR A 94 -1.478 19.368 -8.466 1.00 13.15 H new ATOM 1623 N LYS A 95 0.029 12.912 -7.917 1.00 52.41 N ATOM 1624 CA LYS A 95 0.919 13.071 -9.057 1.00 33.10 C ATOM 1625 C LYS A 95 1.426 11.701 -9.505 1.00 73.43 C ATOM 1626 O LYS A 95 2.489 11.570 -10.114 1.00 32.13 O ATOM 1627 CB LYS A 95 2.081 13.990 -8.668 1.00 53.13 C ATOM 1628 CG LYS A 95 2.705 14.729 -9.840 1.00 24.05 C ATOM 1629 CD LYS A 95 3.639 15.830 -9.362 1.00 75.23 C ATOM 1630 CE LYS A 95 4.054 16.750 -10.500 1.00 20.01 C ATOM 1631 NZ LYS A 95 4.921 16.061 -11.493 1.00 3.04 N ATOM 0 H LYS A 95 0.507 12.847 -7.018 1.00 52.41 H new ATOM 0 HA LYS A 95 0.383 13.525 -9.890 1.00 33.10 H new ATOM 0 HB2 LYS A 95 1.726 14.719 -7.940 1.00 53.13 H new ATOM 0 HB3 LYS A 95 2.851 13.396 -8.175 1.00 53.13 H new ATOM 0 HG2 LYS A 95 3.257 14.026 -10.464 1.00 24.05 H new ATOM 0 HG3 LYS A 95 1.920 15.159 -10.462 1.00 24.05 H new ATOM 0 HD2 LYS A 95 3.146 16.413 -8.584 1.00 75.23 H new ATOM 0 HD3 LYS A 95 4.526 15.385 -8.912 1.00 75.23 H new ATOM 0 HE2 LYS A 95 3.163 17.131 -11.000 1.00 20.01 H new ATOM 0 HE3 LYS A 95 4.584 17.611 -10.094 1.00 20.01 H new ATOM 0 HZ1 LYS A 95 5.179 16.726 -12.250 1.00 3.04 H new ATOM 0 HZ2 LYS A 95 5.784 15.720 -11.023 1.00 3.04 H new ATOM 0 HZ3 LYS A 95 4.407 15.254 -11.902 1.00 3.04 H new ATOM 1645 N ALA A 96 0.636 10.682 -9.197 1.00 53.22 N ATOM 1646 CA ALA A 96 0.967 9.310 -9.536 1.00 72.02 C ATOM 1647 C ALA A 96 -0.257 8.598 -10.098 1.00 33.32 C ATOM 1648 O ALA A 96 -1.384 8.849 -9.661 1.00 15.13 O ATOM 1649 CB ALA A 96 1.491 8.579 -8.311 1.00 34.35 C ATOM 0 H ALA A 96 -0.252 10.786 -8.705 1.00 53.22 H new ATOM 0 HA ALA A 96 1.747 9.314 -10.298 1.00 72.02 H new ATOM 0 HB1 ALA A 96 1.736 7.551 -8.578 1.00 34.35 H new ATOM 0 HB2 ALA A 96 2.386 9.081 -7.943 1.00 34.35 H new ATOM 0 HB3 ALA A 96 0.728 8.580 -7.533 1.00 34.35 H new ATOM 1655 N GLU A 97 -0.029 7.708 -11.051 1.00 52.14 N ATOM 1656 CA GLU A 97 -1.109 6.996 -11.715 1.00 75.12 C ATOM 1657 C GLU A 97 -0.768 5.520 -11.843 1.00 42.41 C ATOM 1658 O GLU A 97 0.370 5.113 -11.598 1.00 4.34 O ATOM 1659 CB GLU A 97 -1.361 7.579 -13.108 1.00 74.45 C ATOM 1660 CG GLU A 97 -0.143 7.513 -14.018 1.00 25.33 C ATOM 1661 CD GLU A 97 -0.472 7.822 -15.463 1.00 23.41 C ATOM 1662 OE1 GLU A 97 -0.722 9.002 -15.780 1.00 14.24 O ATOM 1663 OE2 GLU A 97 -0.486 6.881 -16.286 1.00 3.14 O ATOM 0 H GLU A 97 0.903 7.460 -11.384 1.00 52.14 H new ATOM 0 HA GLU A 97 -2.010 7.109 -11.112 1.00 75.12 H new ATOM 0 HB2 GLU A 97 -2.185 7.040 -13.576 1.00 74.45 H new ATOM 0 HB3 GLU A 97 -1.675 8.618 -13.008 1.00 74.45 H new ATOM 0 HG2 GLU A 97 0.609 8.218 -13.663 1.00 25.33 H new ATOM 0 HG3 GLU A 97 0.298 6.518 -13.955 1.00 25.33 H new ATOM 1670 N LEU A 98 -1.749 4.729 -12.248 1.00 34.02 N ATOM 1671 CA LEU A 98 -1.541 3.310 -12.483 1.00 40.15 C ATOM 1672 C LEU A 98 -0.901 3.100 -13.849 1.00 44.42 C ATOM 1673 O LEU A 98 -1.541 2.624 -14.788 1.00 44.12 O ATOM 1674 CB LEU A 98 -2.868 2.557 -12.388 1.00 1.31 C ATOM 1675 CG LEU A 98 -3.564 2.660 -11.031 1.00 25.33 C ATOM 1676 CD1 LEU A 98 -4.910 1.958 -11.060 1.00 33.01 C ATOM 1677 CD2 LEU A 98 -2.681 2.073 -9.944 1.00 3.32 C ATOM 0 H LEU A 98 -2.702 5.049 -12.421 1.00 34.02 H new ATOM 0 HA LEU A 98 -0.870 2.917 -11.719 1.00 40.15 H new ATOM 0 HB2 LEU A 98 -3.541 2.936 -13.156 1.00 1.31 H new ATOM 0 HB3 LEU A 98 -2.690 1.505 -12.611 1.00 1.31 H new ATOM 0 HG LEU A 98 -3.737 3.714 -10.811 1.00 25.33 H new ATOM 0 HD11 LEU A 98 -5.387 2.045 -10.084 1.00 33.01 H new ATOM 0 HD12 LEU A 98 -5.545 2.420 -11.816 1.00 33.01 H new ATOM 0 HD13 LEU A 98 -4.766 0.905 -11.301 1.00 33.01 H new ATOM 0 HD21 LEU A 98 -3.187 2.152 -8.982 1.00 3.32 H new ATOM 0 HD22 LEU A 98 -2.482 1.024 -10.164 1.00 3.32 H new ATOM 0 HD23 LEU A 98 -1.740 2.621 -9.905 1.00 3.32 H new ATOM 1689 N HIS A 99 0.357 3.491 -13.960 1.00 60.14 N ATOM 1690 CA HIS A 99 1.066 3.428 -15.226 1.00 34.31 C ATOM 1691 C HIS A 99 1.834 2.117 -15.336 1.00 4.33 C ATOM 1692 O HIS A 99 3.064 2.103 -15.339 1.00 62.13 O ATOM 1693 CB HIS A 99 2.016 4.623 -15.360 1.00 60.23 C ATOM 1694 CG HIS A 99 2.390 4.949 -16.775 1.00 12.42 C ATOM 1695 ND1 HIS A 99 1.715 5.884 -17.527 1.00 3.34 N ATOM 1696 CD2 HIS A 99 3.380 4.474 -17.571 1.00 62.42 C ATOM 1697 CE1 HIS A 99 2.268 5.971 -18.721 1.00 10.31 C ATOM 1698 NE2 HIS A 99 3.281 5.128 -18.775 1.00 20.14 N ATOM 0 H HIS A 99 0.910 3.857 -13.185 1.00 60.14 H new ATOM 0 HA HIS A 99 0.340 3.471 -16.038 1.00 34.31 H new ATOM 0 HB2 HIS A 99 1.549 5.498 -14.908 1.00 60.23 H new ATOM 0 HB3 HIS A 99 2.924 4.418 -14.793 1.00 60.23 H new ATOM 0 HD1 HIS A 99 0.911 6.426 -17.210 1.00 3.34 H new ATOM 0 HD2 HIS A 99 4.110 3.722 -17.308 1.00 62.42 H new ATOM 0 HE1 HIS A 99 1.946 6.623 -19.520 1.00 10.31 H new ATOM 1707 N ALA A 100 1.097 1.016 -15.398 1.00 1.44 N ATOM 1708 CA ALA A 100 1.697 -0.297 -15.555 1.00 30.33 C ATOM 1709 C ALA A 100 2.092 -0.516 -17.007 1.00 32.41 C ATOM 1710 O ALA A 100 1.722 0.269 -17.884 1.00 22.53 O ATOM 1711 CB ALA A 100 0.732 -1.379 -15.090 1.00 11.53 C ATOM 0 H ALA A 100 0.079 1.009 -15.341 1.00 1.44 H new ATOM 0 HA ALA A 100 2.594 -0.353 -14.938 1.00 30.33 H new ATOM 0 HB1 ALA A 100 1.196 -2.358 -15.214 1.00 11.53 H new ATOM 0 HB2 ALA A 100 0.489 -1.223 -14.039 1.00 11.53 H new ATOM 0 HB3 ALA A 100 -0.181 -1.332 -15.684 1.00 11.53 H new ATOM 1717 N SER A 101 2.853 -1.562 -17.267 1.00 3.14 N ATOM 1718 CA SER A 101 3.270 -1.862 -18.624 1.00 22.14 C ATOM 1719 C SER A 101 3.353 -3.364 -18.851 1.00 13.23 C ATOM 1720 O SER A 101 2.579 -3.918 -19.634 1.00 72.12 O ATOM 1721 CB SER A 101 4.616 -1.199 -18.921 1.00 35.54 C ATOM 1722 OG SER A 101 4.540 0.205 -18.741 1.00 31.34 O ATOM 0 H SER A 101 3.194 -2.215 -16.561 1.00 3.14 H new ATOM 0 HA SER A 101 2.522 -1.461 -19.308 1.00 22.14 H new ATOM 0 HB2 SER A 101 5.382 -1.613 -18.265 1.00 35.54 H new ATOM 0 HB3 SER A 101 4.918 -1.422 -19.944 1.00 35.54 H new ATOM 0 HG SER A 101 5.412 0.607 -18.935 1.00 31.34 H new