USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 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 52 TYR OH : rot 180:sc= -0.857! USER MOD Set 1.2: A 72 ASN : amide:sc= 0.707 X(o=-0.15,f=-0.28) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 137:sc= -0.109 (180deg=-3.18!) USER MOD Set 2.2: A 74 TYR OH : rot -15:sc= 0.792 USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 59 TYR OH : rot 120:sc= -0.138 USER MOD Set 3.3: A 62 THR OG1 : rot 68:sc= 1.14 USER MOD Set 3.4: A 63 HIS : no HD1:sc= 0.742 K(o=1.7,f=-2.5) USER MOD Set 4.1: A 16 LYS NZ :NH3+ -150:sc= 1.1 (180deg=0.0187) USER MOD Set 4.2: A 77 ASN : amide:sc= -0.804 K(o=0.29,f=-4.4!) USER MOD Set 5.1: A 9 TYR OH : rot 180:sc= 0.308 USER MOD Set 5.2: A 25 LYS NZ :NH3+ 178:sc= 0.335 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 148:sc= 1.33 USER MOD Single : A 7 TYR OH : rot -172:sc= 0.326 USER MOD Single : A 10 GLN : amide:sc= -0.67 K(o=-0.67,f=-2.1!) USER MOD Single : A 12 TYR OH : rot 68:sc= -2.75! USER MOD Single : A 15 ASN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.25) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-9e-05) USER MOD Single : A 28 TYR OH : rot -94:sc= 0.113 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 34 HIS : no HD1:sc= -1.25 K(o=-1.2,f=0.27) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0388) USER MOD Single : A 38 HIS : no HE2:sc= -0.217 K(o=-0.22,f=-4!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 2.35 (180deg=2.29) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0.4 (180deg=-0.135) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 79:sc= 0.0615 USER MOD Single : A 53 GLN : amide:sc= -0.226 K(o=-0.23,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0133 (180deg=-0.152) USER MOD Single : A 57 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= -0.209 (180deg=-0.963) USER MOD Single : A 91 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.25) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0511 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= 1.11 K(o=1.1,f=-5.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.540 7.070 12.473 1.00 41.14 N ATOM 21 CA ILE A 2 4.817 5.710 12.036 1.00 4.13 C ATOM 22 C ILE A 2 5.216 5.650 10.554 1.00 24.20 C ATOM 23 O ILE A 2 4.855 6.520 9.744 1.00 55.44 O ATOM 24 CB ILE A 2 3.596 4.788 12.291 1.00 61.24 C ATOM 25 CG1 ILE A 2 3.974 3.313 12.093 1.00 0.31 C ATOM 26 CG2 ILE A 2 2.439 5.172 11.380 1.00 73.35 C ATOM 27 CD1 ILE A 2 2.856 2.348 12.423 1.00 22.03 C ATOM 0 HA ILE A 2 5.663 5.355 12.625 1.00 4.13 H new ATOM 0 HB ILE A 2 3.279 4.920 13.326 1.00 61.24 H new ATOM 0 HG12 ILE A 2 4.279 3.161 11.058 1.00 0.31 H new ATOM 0 HG13 ILE A 2 4.837 3.082 12.717 1.00 0.31 H new ATOM 0 HG21 ILE A 2 1.591 4.515 11.572 1.00 73.35 H new ATOM 0 HG22 ILE A 2 2.150 6.205 11.575 1.00 73.35 H new ATOM 0 HG23 ILE A 2 2.747 5.072 10.339 1.00 73.35 H new ATOM 0 HD11 ILE A 2 3.197 1.326 12.259 1.00 22.03 H new ATOM 0 HD12 ILE A 2 2.566 2.471 13.466 1.00 22.03 H new ATOM 0 HD13 ILE A 2 1.999 2.551 11.782 1.00 22.03 H new ATOM 39 N THR A 3 5.988 4.629 10.228 1.00 75.15 N ATOM 40 CA THR A 3 6.366 4.330 8.861 1.00 22.54 C ATOM 41 C THR A 3 5.180 3.754 8.091 1.00 32.50 C ATOM 42 O THR A 3 4.354 3.039 8.660 1.00 51.13 O ATOM 43 CB THR A 3 7.526 3.322 8.864 1.00 61.23 C ATOM 44 OG1 THR A 3 7.395 2.459 10.002 1.00 54.13 O ATOM 45 CG2 THR A 3 8.867 4.029 8.917 1.00 34.41 C ATOM 0 H THR A 3 6.373 3.978 10.913 1.00 75.15 H new ATOM 0 HA THR A 3 6.681 5.251 8.370 1.00 22.54 H new ATOM 0 HB THR A 3 7.484 2.742 7.942 1.00 61.23 H new ATOM 0 HG1 THR A 3 7.750 1.572 9.783 1.00 54.13 H new ATOM 0 HG21 THR A 3 9.668 3.290 8.918 1.00 34.41 H new ATOM 0 HG22 THR A 3 8.972 4.676 8.046 1.00 34.41 H new ATOM 0 HG23 THR A 3 8.926 4.629 9.825 1.00 34.41 H new ATOM 53 N PHE A 4 5.096 4.064 6.802 1.00 44.02 N ATOM 54 CA PHE A 4 3.961 3.637 5.992 1.00 24.11 C ATOM 55 C PHE A 4 3.909 2.119 5.844 1.00 63.03 C ATOM 56 O PHE A 4 2.830 1.537 5.861 1.00 21.42 O ATOM 57 CB PHE A 4 3.990 4.299 4.616 1.00 13.00 C ATOM 58 CG PHE A 4 2.893 3.820 3.707 1.00 54.20 C ATOM 59 CD1 PHE A 4 1.561 4.019 4.041 1.00 63.14 C ATOM 60 CD2 PHE A 4 3.192 3.155 2.530 1.00 14.11 C ATOM 61 CE1 PHE A 4 0.551 3.565 3.217 1.00 33.33 C ATOM 62 CE2 PHE A 4 2.185 2.696 1.702 1.00 23.34 C ATOM 63 CZ PHE A 4 0.863 2.903 2.045 1.00 44.41 C ATOM 0 H PHE A 4 5.797 4.607 6.297 1.00 44.02 H new ATOM 0 HA PHE A 4 3.059 3.954 6.515 1.00 24.11 H new ATOM 0 HB2 PHE A 4 3.907 5.379 4.737 1.00 13.00 H new ATOM 0 HB3 PHE A 4 4.954 4.104 4.146 1.00 13.00 H new ATOM 0 HD1 PHE A 4 1.312 4.535 4.956 1.00 63.14 H new ATOM 0 HD2 PHE A 4 4.224 2.993 2.256 1.00 14.11 H new ATOM 0 HE1 PHE A 4 -0.482 3.727 3.488 1.00 33.33 H new ATOM 0 HE2 PHE A 4 2.431 2.176 0.788 1.00 23.34 H new ATOM 0 HZ PHE A 4 0.074 2.548 1.398 1.00 44.41 H new ATOM 73 N ALA A 5 5.066 1.486 5.701 1.00 61.34 N ATOM 74 CA ALA A 5 5.122 0.035 5.544 1.00 25.20 C ATOM 75 C ALA A 5 4.433 -0.661 6.711 1.00 62.45 C ATOM 76 O ALA A 5 3.493 -1.437 6.523 1.00 62.13 O ATOM 77 CB ALA A 5 6.563 -0.435 5.423 1.00 23.55 C ATOM 0 H ALA A 5 5.975 1.949 5.690 1.00 61.34 H new ATOM 0 HA ALA A 5 4.594 -0.228 4.627 1.00 25.20 H new ATOM 0 HB1 ALA A 5 6.584 -1.519 5.307 1.00 23.55 H new ATOM 0 HB2 ALA A 5 7.026 0.032 4.554 1.00 23.55 H new ATOM 0 HB3 ALA A 5 7.113 -0.156 6.321 1.00 23.55 H new ATOM 83 N ASP A 6 4.891 -0.351 7.915 1.00 74.43 N ATOM 84 CA ASP A 6 4.326 -0.918 9.133 1.00 52.42 C ATOM 85 C ASP A 6 2.860 -0.520 9.283 1.00 40.41 C ATOM 86 O ASP A 6 2.022 -1.332 9.681 1.00 74.41 O ATOM 87 CB ASP A 6 5.130 -0.448 10.349 1.00 53.21 C ATOM 88 CG ASP A 6 6.596 -0.822 10.249 1.00 14.44 C ATOM 89 OD1 ASP A 6 7.358 -0.082 9.586 1.00 25.34 O ATOM 90 OD2 ASP A 6 6.996 -1.856 10.824 1.00 0.44 O ATOM 0 H ASP A 6 5.661 0.298 8.076 1.00 74.43 H new ATOM 0 HA ASP A 6 4.380 -2.005 9.069 1.00 52.42 H new ATOM 0 HB2 ASP A 6 5.039 0.634 10.446 1.00 53.21 H new ATOM 0 HB3 ASP A 6 4.707 -0.886 11.253 1.00 53.21 H new ATOM 95 N TYR A 7 2.561 0.731 8.942 1.00 33.20 N ATOM 96 CA TYR A 7 1.195 1.247 9.002 1.00 3.50 C ATOM 97 C TYR A 7 0.267 0.459 8.083 1.00 51.55 C ATOM 98 O TYR A 7 -0.836 0.090 8.480 1.00 23.11 O ATOM 99 CB TYR A 7 1.163 2.735 8.621 1.00 71.41 C ATOM 100 CG TYR A 7 -0.233 3.303 8.481 1.00 61.32 C ATOM 101 CD1 TYR A 7 -1.035 3.522 9.593 1.00 24.04 C ATOM 102 CD2 TYR A 7 -0.752 3.609 7.227 1.00 31.21 C ATOM 103 CE1 TYR A 7 -2.313 4.036 9.461 1.00 41.55 C ATOM 104 CE2 TYR A 7 -2.027 4.122 7.089 1.00 63.31 C ATOM 105 CZ TYR A 7 -2.805 4.332 8.207 1.00 21.55 C ATOM 106 OH TYR A 7 -4.077 4.842 8.074 1.00 64.44 O ATOM 0 H TYR A 7 3.250 1.410 8.619 1.00 33.20 H new ATOM 0 HA TYR A 7 0.844 1.133 10.028 1.00 3.50 H new ATOM 0 HB2 TYR A 7 1.702 3.305 9.377 1.00 71.41 H new ATOM 0 HB3 TYR A 7 1.696 2.870 7.680 1.00 71.41 H new ATOM 0 HD1 TYR A 7 -0.655 3.287 10.577 1.00 24.04 H new ATOM 0 HD2 TYR A 7 -0.148 3.443 6.347 1.00 31.21 H new ATOM 0 HE1 TYR A 7 -2.923 4.205 10.336 1.00 41.55 H new ATOM 0 HE2 TYR A 7 -2.413 4.358 6.108 1.00 63.31 H new ATOM 0 HH TYR A 7 -4.318 4.876 7.125 1.00 64.44 H new ATOM 116 N PHE A 8 0.726 0.201 6.866 1.00 55.50 N ATOM 117 CA PHE A 8 -0.083 -0.476 5.860 1.00 71.31 C ATOM 118 C PHE A 8 -0.480 -1.877 6.313 1.00 71.21 C ATOM 119 O PHE A 8 -1.648 -2.259 6.218 1.00 43.52 O ATOM 120 CB PHE A 8 0.678 -0.548 4.530 1.00 72.00 C ATOM 121 CG PHE A 8 -0.084 -1.231 3.427 1.00 13.23 C ATOM 122 CD1 PHE A 8 -1.095 -0.566 2.749 1.00 43.31 C ATOM 123 CD2 PHE A 8 0.213 -2.536 3.065 1.00 12.22 C ATOM 124 CE1 PHE A 8 -1.793 -1.188 1.731 1.00 61.51 C ATOM 125 CE2 PHE A 8 -0.482 -3.163 2.049 1.00 21.14 C ATOM 126 CZ PHE A 8 -1.487 -2.489 1.383 1.00 63.34 C ATOM 0 H PHE A 8 1.662 0.453 6.549 1.00 55.50 H new ATOM 0 HA PHE A 8 -0.996 0.103 5.721 1.00 71.31 H new ATOM 0 HB2 PHE A 8 0.930 0.464 4.212 1.00 72.00 H new ATOM 0 HB3 PHE A 8 1.618 -1.076 4.689 1.00 72.00 H new ATOM 0 HD1 PHE A 8 -1.340 0.450 3.020 1.00 43.31 H new ATOM 0 HD2 PHE A 8 0.997 -3.069 3.583 1.00 12.22 H new ATOM 0 HE1 PHE A 8 -2.576 -0.658 1.209 1.00 61.51 H new ATOM 0 HE2 PHE A 8 -0.240 -4.179 1.776 1.00 21.14 H new ATOM 0 HZ PHE A 8 -2.033 -2.979 0.591 1.00 63.34 H new ATOM 136 N TYR A 9 0.484 -2.641 6.816 1.00 24.14 N ATOM 137 CA TYR A 9 0.211 -4.017 7.201 1.00 24.34 C ATOM 138 C TYR A 9 -0.716 -4.071 8.409 1.00 35.22 C ATOM 139 O TYR A 9 -1.645 -4.878 8.443 1.00 31.55 O ATOM 140 CB TYR A 9 1.501 -4.788 7.494 1.00 40.10 C ATOM 141 CG TYR A 9 1.272 -6.279 7.648 1.00 24.04 C ATOM 142 CD1 TYR A 9 1.232 -7.112 6.535 1.00 1.34 C ATOM 143 CD2 TYR A 9 1.071 -6.850 8.899 1.00 51.42 C ATOM 144 CE1 TYR A 9 0.999 -8.467 6.665 1.00 33.11 C ATOM 145 CE2 TYR A 9 0.843 -8.207 9.038 1.00 20.41 C ATOM 146 CZ TYR A 9 0.805 -9.010 7.917 1.00 71.42 C ATOM 147 OH TYR A 9 0.560 -10.361 8.047 1.00 71.20 O ATOM 0 H TYR A 9 1.446 -2.336 6.964 1.00 24.14 H new ATOM 0 HA TYR A 9 -0.284 -4.495 6.356 1.00 24.34 H new ATOM 0 HB2 TYR A 9 2.213 -4.616 6.687 1.00 40.10 H new ATOM 0 HB3 TYR A 9 1.953 -4.398 8.406 1.00 40.10 H new ATOM 0 HD1 TYR A 9 1.386 -6.692 5.552 1.00 1.34 H new ATOM 0 HD2 TYR A 9 1.093 -6.223 9.778 1.00 51.42 H new ATOM 0 HE1 TYR A 9 0.969 -9.099 5.789 1.00 33.11 H new ATOM 0 HE2 TYR A 9 0.696 -8.635 10.018 1.00 20.41 H new ATOM 0 HH TYR A 9 0.447 -10.583 8.995 1.00 71.20 H new ATOM 157 N GLN A 10 -0.482 -3.209 9.394 1.00 50.44 N ATOM 158 CA GLN A 10 -1.318 -3.203 10.585 1.00 41.42 C ATOM 159 C GLN A 10 -2.715 -2.689 10.238 1.00 4.33 C ATOM 160 O GLN A 10 -3.707 -3.171 10.772 1.00 11.13 O ATOM 161 CB GLN A 10 -0.671 -2.389 11.722 1.00 62.21 C ATOM 162 CG GLN A 10 -0.651 -0.881 11.512 1.00 10.12 C ATOM 163 CD GLN A 10 -1.911 -0.201 12.016 1.00 11.13 C ATOM 164 OE1 GLN A 10 -2.524 -0.648 12.984 1.00 41.22 O ATOM 165 NE2 GLN A 10 -2.311 0.873 11.358 1.00 73.22 N ATOM 0 H GLN A 10 0.267 -2.517 9.391 1.00 50.44 H new ATOM 0 HA GLN A 10 -1.414 -4.225 10.950 1.00 41.42 H new ATOM 0 HB2 GLN A 10 -1.203 -2.603 12.649 1.00 62.21 H new ATOM 0 HB3 GLN A 10 0.354 -2.734 11.856 1.00 62.21 H new ATOM 0 HG2 GLN A 10 0.214 -0.459 12.024 1.00 10.12 H new ATOM 0 HG3 GLN A 10 -0.528 -0.668 10.450 1.00 10.12 H new ATOM 0 HE21 GLN A 10 -1.774 1.212 10.560 1.00 73.22 H new ATOM 0 HE22 GLN A 10 -3.157 1.363 11.648 1.00 73.22 H new ATOM 174 N TRP A 11 -2.781 -1.731 9.311 1.00 55.10 N ATOM 175 CA TRP A 11 -4.057 -1.221 8.816 1.00 4.24 C ATOM 176 C TRP A 11 -4.879 -2.365 8.240 1.00 32.23 C ATOM 177 O TRP A 11 -6.084 -2.474 8.483 1.00 13.43 O ATOM 178 CB TRP A 11 -3.811 -0.143 7.750 1.00 52.50 C ATOM 179 CG TRP A 11 -5.038 0.266 6.986 1.00 72.34 C ATOM 180 CD1 TRP A 11 -5.965 1.200 7.354 1.00 32.53 C ATOM 181 CD2 TRP A 11 -5.462 -0.243 5.716 1.00 74.03 C ATOM 182 NE1 TRP A 11 -6.938 1.300 6.386 1.00 2.11 N ATOM 183 CE2 TRP A 11 -6.650 0.425 5.375 1.00 74.41 C ATOM 184 CE3 TRP A 11 -4.948 -1.200 4.830 1.00 41.03 C ATOM 185 CZ2 TRP A 11 -7.333 0.165 4.193 1.00 51.53 C ATOM 186 CZ3 TRP A 11 -5.632 -1.457 3.658 1.00 44.44 C ATOM 187 CH2 TRP A 11 -6.810 -0.774 3.347 1.00 21.41 C ATOM 0 H TRP A 11 -1.962 -1.293 8.888 1.00 55.10 H new ATOM 0 HA TRP A 11 -4.612 -0.773 9.640 1.00 4.24 H new ATOM 0 HB2 TRP A 11 -3.388 0.738 8.233 1.00 52.50 H new ATOM 0 HB3 TRP A 11 -3.065 -0.510 7.045 1.00 52.50 H new ATOM 0 HD1 TRP A 11 -5.938 1.774 8.268 1.00 32.53 H new ATOM 0 HE1 TRP A 11 -7.743 1.925 6.417 1.00 2.11 H new ATOM 0 HE3 TRP A 11 -4.034 -1.727 5.060 1.00 41.03 H new ATOM 0 HZ2 TRP A 11 -8.247 0.687 3.950 1.00 51.53 H new ATOM 0 HZ3 TRP A 11 -5.250 -2.198 2.971 1.00 44.44 H new ATOM 0 HH2 TRP A 11 -7.318 -0.992 2.419 1.00 21.41 H new ATOM 198 N TYR A 12 -4.207 -3.224 7.487 1.00 2.23 N ATOM 199 CA TYR A 12 -4.837 -4.396 6.913 1.00 10.02 C ATOM 200 C TYR A 12 -5.219 -5.388 8.004 1.00 0.33 C ATOM 201 O TYR A 12 -6.384 -5.737 8.146 1.00 12.22 O ATOM 202 CB TYR A 12 -3.892 -5.051 5.899 1.00 70.10 C ATOM 203 CG TYR A 12 -4.419 -6.336 5.302 1.00 20.50 C ATOM 204 CD1 TYR A 12 -5.659 -6.380 4.683 1.00 23.22 C ATOM 205 CD2 TYR A 12 -3.670 -7.505 5.354 1.00 11.23 C ATOM 206 CE1 TYR A 12 -6.138 -7.552 4.135 1.00 21.14 C ATOM 207 CE2 TYR A 12 -4.142 -8.680 4.804 1.00 44.43 C ATOM 208 CZ TYR A 12 -5.377 -8.695 4.197 1.00 15.21 C ATOM 209 OH TYR A 12 -5.851 -9.858 3.643 1.00 54.11 O ATOM 0 H TYR A 12 -3.217 -3.126 7.260 1.00 2.23 H new ATOM 0 HA TYR A 12 -5.748 -4.089 6.400 1.00 10.02 H new ATOM 0 HB2 TYR A 12 -3.694 -4.344 5.094 1.00 70.10 H new ATOM 0 HB3 TYR A 12 -2.938 -5.254 6.386 1.00 70.10 H new ATOM 0 HD1 TYR A 12 -6.259 -5.483 4.629 1.00 23.22 H new ATOM 0 HD2 TYR A 12 -2.702 -7.494 5.833 1.00 11.23 H new ATOM 0 HE1 TYR A 12 -7.107 -7.571 3.659 1.00 21.14 H new ATOM 0 HE2 TYR A 12 -3.547 -9.580 4.850 1.00 44.43 H new ATOM 0 HH TYR A 12 -5.883 -9.766 2.668 1.00 54.11 H new ATOM 219 N GLU A 13 -4.233 -5.796 8.792 1.00 21.43 N ATOM 220 CA GLU A 13 -4.415 -6.829 9.808 1.00 64.11 C ATOM 221 C GLU A 13 -5.525 -6.464 10.800 1.00 12.01 C ATOM 222 O GLU A 13 -6.342 -7.309 11.165 1.00 33.24 O ATOM 223 CB GLU A 13 -3.087 -7.059 10.539 1.00 5.13 C ATOM 224 CG GLU A 13 -3.083 -8.261 11.470 1.00 52.52 C ATOM 225 CD GLU A 13 -3.164 -7.876 12.933 1.00 34.34 C ATOM 226 OE1 GLU A 13 -2.201 -7.263 13.441 1.00 73.42 O ATOM 227 OE2 GLU A 13 -4.175 -8.209 13.588 1.00 5.42 O ATOM 0 H GLU A 13 -3.285 -5.422 8.747 1.00 21.43 H new ATOM 0 HA GLU A 13 -4.723 -7.750 9.312 1.00 64.11 H new ATOM 0 HB2 GLU A 13 -2.296 -7.185 9.800 1.00 5.13 H new ATOM 0 HB3 GLU A 13 -2.845 -6.167 11.116 1.00 5.13 H new ATOM 0 HG2 GLU A 13 -3.925 -8.908 11.223 1.00 52.52 H new ATOM 0 HG3 GLU A 13 -2.175 -8.841 11.302 1.00 52.52 H new ATOM 234 N VAL A 14 -5.564 -5.205 11.217 1.00 50.40 N ATOM 235 CA VAL A 14 -6.553 -4.749 12.190 1.00 53.42 C ATOM 236 C VAL A 14 -7.965 -4.717 11.597 1.00 22.20 C ATOM 237 O VAL A 14 -8.945 -4.998 12.291 1.00 22.32 O ATOM 238 CB VAL A 14 -6.191 -3.350 12.749 1.00 65.13 C ATOM 239 CG1 VAL A 14 -7.305 -2.793 13.622 1.00 65.25 C ATOM 240 CG2 VAL A 14 -4.891 -3.408 13.538 1.00 72.02 C ATOM 0 H VAL A 14 -4.922 -4.479 10.897 1.00 50.40 H new ATOM 0 HA VAL A 14 -6.540 -5.470 13.007 1.00 53.42 H new ATOM 0 HB VAL A 14 -6.061 -2.681 11.898 1.00 65.13 H new ATOM 0 HG11 VAL A 14 -7.017 -1.811 13.997 1.00 65.25 H new ATOM 0 HG12 VAL A 14 -8.218 -2.703 13.034 1.00 65.25 H new ATOM 0 HG13 VAL A 14 -7.479 -3.465 14.462 1.00 65.25 H new ATOM 0 HG21 VAL A 14 -4.654 -2.416 13.922 1.00 72.02 H new ATOM 0 HG22 VAL A 14 -5.001 -4.103 14.371 1.00 72.02 H new ATOM 0 HG23 VAL A 14 -4.085 -3.747 12.887 1.00 72.02 H new ATOM 250 N ASN A 15 -8.078 -4.408 10.311 1.00 65.13 N ATOM 251 CA ASN A 15 -9.392 -4.197 9.714 1.00 70.44 C ATOM 252 C ASN A 15 -9.794 -5.357 8.812 1.00 51.43 C ATOM 253 O ASN A 15 -10.745 -6.082 9.108 1.00 24.31 O ATOM 254 CB ASN A 15 -9.426 -2.878 8.938 1.00 30.02 C ATOM 255 CG ASN A 15 -9.314 -1.670 9.851 1.00 52.21 C ATOM 256 OD1 ASN A 15 -10.313 -1.187 10.382 1.00 35.42 O ATOM 257 ND2 ASN A 15 -8.102 -1.168 10.032 1.00 35.05 N ATOM 0 H ASN A 15 -7.291 -4.299 9.671 1.00 65.13 H new ATOM 0 HA ASN A 15 -10.116 -4.145 10.527 1.00 70.44 H new ATOM 0 HB2 ASN A 15 -8.609 -2.862 8.216 1.00 30.02 H new ATOM 0 HB3 ASN A 15 -10.354 -2.817 8.370 1.00 30.02 H new ATOM 0 HD21 ASN A 15 -7.972 -0.352 10.630 1.00 35.05 H new ATOM 0 HD22 ASN A 15 -7.298 -1.598 9.574 1.00 35.05 H new ATOM 264 N LYS A 16 -9.069 -5.538 7.722 1.00 54.12 N ATOM 265 CA LYS A 16 -9.390 -6.583 6.763 1.00 45.31 C ATOM 266 C LYS A 16 -8.542 -7.822 7.047 1.00 62.42 C ATOM 267 O LYS A 16 -7.406 -7.912 6.609 1.00 11.23 O ATOM 268 CB LYS A 16 -9.148 -6.110 5.313 1.00 71.40 C ATOM 269 CG LYS A 16 -9.846 -4.804 4.929 1.00 51.04 C ATOM 270 CD LYS A 16 -9.036 -3.582 5.346 1.00 41.14 C ATOM 271 CE LYS A 16 -9.726 -2.278 4.961 1.00 33.52 C ATOM 272 NZ LYS A 16 -9.885 -2.133 3.486 1.00 65.12 N ATOM 0 H LYS A 16 -8.254 -4.975 7.478 1.00 54.12 H new ATOM 0 HA LYS A 16 -10.447 -6.826 6.869 1.00 45.31 H new ATOM 0 HB2 LYS A 16 -8.075 -5.988 5.162 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -9.479 -6.894 4.632 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -10.007 -4.782 3.851 1.00 51.04 H new ATOM 0 HG3 LYS A 16 -10.829 -4.766 5.399 1.00 51.04 H new ATOM 0 HD2 LYS A 16 -8.878 -3.603 6.424 1.00 41.14 H new ATOM 0 HD3 LYS A 16 -8.052 -3.623 4.878 1.00 41.14 H new ATOM 0 HE2 LYS A 16 -10.706 -2.235 5.435 1.00 33.52 H new ATOM 0 HE3 LYS A 16 -9.149 -1.437 5.346 1.00 33.52 H new ATOM 0 HZ1 LYS A 16 -9.864 -1.125 3.232 1.00 65.12 H new ATOM 0 HZ2 LYS A 16 -9.108 -2.628 3.003 1.00 65.12 H new ATOM 0 HZ3 LYS A 16 -10.794 -2.545 3.193 1.00 65.12 H new ATOM 286 N LEU A 17 -9.077 -8.763 7.804 1.00 54.11 N ATOM 287 CA LEU A 17 -8.327 -9.975 8.116 1.00 52.24 C ATOM 288 C LEU A 17 -9.256 -11.175 8.321 1.00 12.12 C ATOM 289 O LEU A 17 -9.155 -12.157 7.590 1.00 21.00 O ATOM 290 CB LEU A 17 -7.434 -9.765 9.344 1.00 53.34 C ATOM 291 CG LEU A 17 -6.337 -10.815 9.536 1.00 31.12 C ATOM 292 CD1 LEU A 17 -5.265 -10.659 8.471 1.00 11.23 C ATOM 293 CD2 LEU A 17 -5.736 -10.708 10.927 1.00 14.24 C ATOM 0 H LEU A 17 -10.012 -8.718 8.210 1.00 54.11 H new ATOM 0 HA LEU A 17 -7.688 -10.193 7.260 1.00 52.24 H new ATOM 0 HB2 LEU A 17 -6.967 -8.783 9.270 1.00 53.34 H new ATOM 0 HB3 LEU A 17 -8.063 -9.753 10.234 1.00 53.34 H new ATOM 0 HG LEU A 17 -6.780 -11.805 9.433 1.00 31.12 H new ATOM 0 HD11 LEU A 17 -4.492 -11.412 8.620 1.00 11.23 H new ATOM 0 HD12 LEU A 17 -5.711 -10.787 7.485 1.00 11.23 H new ATOM 0 HD13 LEU A 17 -4.822 -9.665 8.543 1.00 11.23 H new ATOM 0 HD21 LEU A 17 -4.958 -11.462 11.046 1.00 14.24 H new ATOM 0 HD22 LEU A 17 -5.304 -9.716 11.061 1.00 14.24 H new ATOM 0 HD23 LEU A 17 -6.514 -10.869 11.673 1.00 14.24 H new ATOM 305 N PRO A 18 -10.191 -11.128 9.297 1.00 75.13 N ATOM 306 CA PRO A 18 -11.098 -12.256 9.552 1.00 42.54 C ATOM 307 C PRO A 18 -12.121 -12.434 8.438 1.00 55.53 C ATOM 308 O PRO A 18 -12.733 -13.492 8.299 1.00 45.43 O ATOM 309 CB PRO A 18 -11.796 -11.870 10.858 1.00 21.45 C ATOM 310 CG PRO A 18 -11.730 -10.385 10.902 1.00 3.31 C ATOM 311 CD PRO A 18 -10.441 -10.006 10.231 1.00 24.34 C ATOM 0 HA PRO A 18 -10.562 -13.204 9.606 1.00 42.54 H new ATOM 0 HB2 PRO A 18 -12.828 -12.220 10.873 1.00 21.45 H new ATOM 0 HB3 PRO A 18 -11.296 -12.313 11.719 1.00 21.45 H new ATOM 0 HG2 PRO A 18 -12.582 -9.941 10.387 1.00 3.31 H new ATOM 0 HG3 PRO A 18 -11.755 -10.024 11.930 1.00 3.31 H new ATOM 0 HD2 PRO A 18 -10.528 -9.057 9.703 1.00 24.34 H new ATOM 0 HD3 PRO A 18 -9.631 -9.896 10.952 1.00 24.34 H new ATOM 319 N HIS A 19 -12.284 -11.392 7.636 1.00 33.12 N ATOM 320 CA HIS A 19 -13.288 -11.382 6.584 1.00 44.22 C ATOM 321 C HIS A 19 -12.697 -11.888 5.274 1.00 50.40 C ATOM 322 O HIS A 19 -13.418 -12.122 4.305 1.00 74.03 O ATOM 323 CB HIS A 19 -13.845 -9.967 6.394 1.00 61.10 C ATOM 324 CG HIS A 19 -14.290 -9.327 7.672 1.00 73.44 C ATOM 325 ND1 HIS A 19 -15.487 -9.652 8.258 1.00 64.40 N ATOM 326 CD2 HIS A 19 -13.650 -8.416 8.446 1.00 53.11 C ATOM 327 CE1 HIS A 19 -15.550 -8.940 9.372 1.00 33.10 C ATOM 328 NE2 HIS A 19 -14.457 -8.175 9.528 1.00 60.33 N ATOM 0 H HIS A 19 -11.730 -10.538 7.695 1.00 33.12 H new ATOM 0 HA HIS A 19 -14.100 -12.046 6.880 1.00 44.22 H new ATOM 0 HB2 HIS A 19 -13.081 -9.343 5.931 1.00 61.10 H new ATOM 0 HB3 HIS A 19 -14.687 -10.006 5.703 1.00 61.10 H new ATOM 0 HD2 HIS A 19 -12.688 -7.966 8.248 1.00 53.11 H new ATOM 0 HE1 HIS A 19 -16.376 -8.970 10.067 1.00 33.10 H new ATOM 0 HE2 HIS A 19 -14.265 -7.538 10.301 1.00 60.33 H new ATOM 336 N VAL A 20 -11.382 -12.060 5.255 1.00 44.43 N ATOM 337 CA VAL A 20 -10.693 -12.512 4.057 1.00 21.34 C ATOM 338 C VAL A 20 -9.861 -13.750 4.358 1.00 13.42 C ATOM 339 O VAL A 20 -9.733 -14.158 5.513 1.00 63.14 O ATOM 340 CB VAL A 20 -9.780 -11.409 3.470 1.00 63.31 C ATOM 341 CG1 VAL A 20 -10.596 -10.197 3.046 1.00 45.21 C ATOM 342 CG2 VAL A 20 -8.707 -11.007 4.469 1.00 13.32 C ATOM 0 H VAL A 20 -10.773 -11.893 6.056 1.00 44.43 H new ATOM 0 HA VAL A 20 -11.456 -12.754 3.317 1.00 21.34 H new ATOM 0 HB VAL A 20 -9.289 -11.815 2.586 1.00 63.31 H new ATOM 0 HG11 VAL A 20 -9.931 -9.436 2.637 1.00 45.21 H new ATOM 0 HG12 VAL A 20 -11.320 -10.493 2.287 1.00 45.21 H new ATOM 0 HG13 VAL A 20 -11.122 -9.792 3.910 1.00 45.21 H new ATOM 0 HG21 VAL A 20 -8.078 -10.231 4.034 1.00 13.32 H new ATOM 0 HG22 VAL A 20 -9.178 -10.627 5.376 1.00 13.32 H new ATOM 0 HG23 VAL A 20 -8.095 -11.875 4.715 1.00 13.32 H new ATOM 352 N SER A 21 -9.326 -14.364 3.318 1.00 2.12 N ATOM 353 CA SER A 21 -8.447 -15.509 3.477 1.00 20.15 C ATOM 354 C SER A 21 -7.026 -15.134 3.065 1.00 25.13 C ATOM 355 O SER A 21 -6.801 -14.054 2.514 1.00 31.24 O ATOM 356 CB SER A 21 -8.958 -16.677 2.637 1.00 50.11 C ATOM 357 OG SER A 21 -10.329 -16.931 2.908 1.00 52.54 O ATOM 0 H SER A 21 -9.486 -14.087 2.349 1.00 2.12 H new ATOM 0 HA SER A 21 -8.437 -15.812 4.524 1.00 20.15 H new ATOM 0 HB2 SER A 21 -8.827 -16.454 1.578 1.00 50.11 H new ATOM 0 HB3 SER A 21 -8.369 -17.569 2.850 1.00 50.11 H new ATOM 0 HG SER A 21 -10.637 -17.682 2.359 1.00 52.54 H new ATOM 363 N GLU A 22 -6.073 -16.022 3.325 1.00 34.23 N ATOM 364 CA GLU A 22 -4.672 -15.766 2.996 1.00 44.23 C ATOM 365 C GLU A 22 -4.453 -15.592 1.496 1.00 51.41 C ATOM 366 O GLU A 22 -3.481 -14.969 1.081 1.00 60.10 O ATOM 367 CB GLU A 22 -3.774 -16.871 3.548 1.00 1.05 C ATOM 368 CG GLU A 22 -3.565 -16.763 5.047 1.00 53.13 C ATOM 369 CD GLU A 22 -2.664 -17.844 5.596 1.00 50.01 C ATOM 370 OE1 GLU A 22 -1.500 -17.936 5.158 1.00 10.24 O ATOM 371 OE2 GLU A 22 -3.114 -18.605 6.478 1.00 25.14 O ATOM 0 H GLU A 22 -6.243 -16.927 3.763 1.00 34.23 H new ATOM 0 HA GLU A 22 -4.400 -14.824 3.472 1.00 44.23 H new ATOM 0 HB2 GLU A 22 -4.214 -17.841 3.316 1.00 1.05 H new ATOM 0 HB3 GLU A 22 -2.807 -16.832 3.047 1.00 1.05 H new ATOM 0 HG2 GLU A 22 -3.137 -15.788 5.279 1.00 53.13 H new ATOM 0 HG3 GLU A 22 -4.532 -16.814 5.548 1.00 53.13 H new ATOM 378 N SER A 23 -5.351 -16.135 0.685 1.00 51.42 N ATOM 379 CA SER A 23 -5.310 -15.893 -0.750 1.00 32.22 C ATOM 380 C SER A 23 -5.452 -14.393 -1.025 1.00 52.31 C ATOM 381 O SER A 23 -4.765 -13.833 -1.880 1.00 64.55 O ATOM 382 CB SER A 23 -6.417 -16.680 -1.455 1.00 11.44 C ATOM 383 OG SER A 23 -6.271 -16.623 -2.862 1.00 10.33 O ATOM 0 H SER A 23 -6.111 -16.741 0.993 1.00 51.42 H new ATOM 0 HA SER A 23 -4.351 -16.232 -1.142 1.00 32.22 H new ATOM 0 HB2 SER A 23 -6.394 -17.719 -1.126 1.00 11.44 H new ATOM 0 HB3 SER A 23 -7.390 -16.278 -1.171 1.00 11.44 H new ATOM 0 HG SER A 23 -6.990 -17.135 -3.287 1.00 10.33 H new ATOM 389 N THR A 24 -6.324 -13.739 -0.266 1.00 21.35 N ATOM 390 CA THR A 24 -6.483 -12.297 -0.351 1.00 15.45 C ATOM 391 C THR A 24 -5.316 -11.599 0.343 1.00 23.45 C ATOM 392 O THR A 24 -4.814 -10.575 -0.136 1.00 52.31 O ATOM 393 CB THR A 24 -7.812 -11.847 0.285 1.00 34.34 C ATOM 394 OG1 THR A 24 -8.902 -12.532 -0.349 1.00 61.11 O ATOM 395 CG2 THR A 24 -8.004 -10.340 0.163 1.00 53.43 C ATOM 0 H THR A 24 -6.933 -14.189 0.417 1.00 21.35 H new ATOM 0 HA THR A 24 -6.496 -12.020 -1.405 1.00 15.45 H new ATOM 0 HB THR A 24 -7.786 -12.096 1.346 1.00 34.34 H new ATOM 0 HG1 THR A 24 -9.747 -12.247 0.057 1.00 61.11 H new ATOM 0 HG21 THR A 24 -8.951 -10.056 0.622 1.00 53.43 H new ATOM 0 HG22 THR A 24 -7.187 -9.827 0.670 1.00 53.43 H new ATOM 0 HG23 THR A 24 -8.012 -10.058 -0.890 1.00 53.43 H new ATOM 403 N LYS A 25 -4.875 -12.169 1.464 1.00 60.52 N ATOM 404 CA LYS A 25 -3.717 -11.644 2.177 1.00 22.33 C ATOM 405 C LYS A 25 -2.513 -11.588 1.255 1.00 3.33 C ATOM 406 O LYS A 25 -1.721 -10.663 1.327 1.00 43.44 O ATOM 407 CB LYS A 25 -3.359 -12.497 3.395 1.00 35.04 C ATOM 408 CG LYS A 25 -4.355 -12.431 4.541 1.00 25.32 C ATOM 409 CD LYS A 25 -3.691 -12.845 5.844 1.00 24.21 C ATOM 410 CE LYS A 25 -2.619 -11.843 6.248 1.00 32.12 C ATOM 411 NZ LYS A 25 -1.690 -12.384 7.274 1.00 74.14 N ATOM 0 H LYS A 25 -5.301 -12.990 1.894 1.00 60.52 H new ATOM 0 HA LYS A 25 -3.982 -10.643 2.518 1.00 22.33 H new ATOM 0 HB2 LYS A 25 -3.262 -13.535 3.077 1.00 35.04 H new ATOM 0 HB3 LYS A 25 -2.382 -12.184 3.764 1.00 35.04 H new ATOM 0 HG2 LYS A 25 -4.748 -11.419 4.632 1.00 25.32 H new ATOM 0 HG3 LYS A 25 -5.202 -13.085 4.333 1.00 25.32 H new ATOM 0 HD2 LYS A 25 -4.441 -12.919 6.632 1.00 24.21 H new ATOM 0 HD3 LYS A 25 -3.247 -13.834 5.733 1.00 24.21 H new ATOM 0 HE2 LYS A 25 -2.050 -11.550 5.366 1.00 32.12 H new ATOM 0 HE3 LYS A 25 -3.096 -10.942 6.634 1.00 32.12 H new ATOM 0 HZ1 LYS A 25 -0.960 -11.675 7.489 1.00 74.14 H new ATOM 0 HZ2 LYS A 25 -2.221 -12.608 8.140 1.00 74.14 H new ATOM 0 HZ3 LYS A 25 -1.238 -13.248 6.912 1.00 74.14 H new ATOM 425 N ARG A 26 -2.396 -12.582 0.383 1.00 32.41 N ATOM 426 CA ARG A 26 -1.269 -12.676 -0.534 1.00 1.24 C ATOM 427 C ARG A 26 -1.138 -11.413 -1.385 1.00 75.24 C ATOM 428 O ARG A 26 -0.031 -10.965 -1.663 1.00 4.54 O ATOM 429 CB ARG A 26 -1.410 -13.902 -1.438 1.00 63.44 C ATOM 430 CG ARG A 26 -0.133 -14.233 -2.191 1.00 71.23 C ATOM 431 CD ARG A 26 0.967 -14.655 -1.232 1.00 60.30 C ATOM 432 NE ARG A 26 2.290 -14.582 -1.845 1.00 4.31 N ATOM 433 CZ ARG A 26 3.167 -15.583 -1.856 1.00 30.00 C ATOM 434 NH1 ARG A 26 2.854 -16.758 -1.326 1.00 2.32 N ATOM 435 NH2 ARG A 26 4.364 -15.399 -2.396 1.00 45.40 N ATOM 0 H ARG A 26 -3.074 -13.339 0.292 1.00 32.41 H new ATOM 0 HA ARG A 26 -0.365 -12.780 0.066 1.00 1.24 H new ATOM 0 HB2 ARG A 26 -1.702 -14.761 -0.834 1.00 63.44 H new ATOM 0 HB3 ARG A 26 -2.213 -13.728 -2.154 1.00 63.44 H new ATOM 0 HG2 ARG A 26 -0.325 -15.033 -2.906 1.00 71.23 H new ATOM 0 HG3 ARG A 26 0.192 -13.364 -2.764 1.00 71.23 H new ATOM 0 HD2 ARG A 26 0.942 -14.016 -0.349 1.00 60.30 H new ATOM 0 HD3 ARG A 26 0.781 -15.674 -0.894 1.00 60.30 H new ATOM 0 HE ARG A 26 2.560 -13.707 -2.294 1.00 4.31 H new ATOM 0 HH11 ARG A 26 1.935 -16.900 -0.906 1.00 2.32 H new ATOM 0 HH12 ARG A 26 3.532 -17.520 -1.339 1.00 2.32 H new ATOM 0 HH21 ARG A 26 4.608 -14.495 -2.800 1.00 45.40 H new ATOM 0 HH22 ARG A 26 5.041 -16.162 -2.408 1.00 45.40 H new ATOM 449 N HIS A 27 -2.266 -10.839 -1.787 1.00 2.04 N ATOM 450 CA HIS A 27 -2.252 -9.609 -2.573 1.00 53.23 C ATOM 451 C HIS A 27 -1.837 -8.423 -1.711 1.00 74.24 C ATOM 452 O HIS A 27 -0.981 -7.629 -2.104 1.00 32.51 O ATOM 453 CB HIS A 27 -3.622 -9.340 -3.203 1.00 74.04 C ATOM 454 CG HIS A 27 -3.942 -10.234 -4.363 1.00 24.13 C ATOM 455 ND1 HIS A 27 -3.545 -9.914 -5.640 1.00 44.21 N ATOM 456 CD2 HIS A 27 -4.624 -11.404 -4.392 1.00 21.55 C ATOM 457 CE1 HIS A 27 -3.992 -10.887 -6.414 1.00 73.21 C ATOM 458 NE2 HIS A 27 -4.651 -11.813 -5.702 1.00 3.34 N ATOM 0 H HIS A 27 -3.197 -11.202 -1.584 1.00 2.04 H new ATOM 0 HA HIS A 27 -1.523 -9.738 -3.373 1.00 53.23 H new ATOM 0 HB2 HIS A 27 -4.392 -9.460 -2.441 1.00 74.04 H new ATOM 0 HB3 HIS A 27 -3.661 -8.302 -3.535 1.00 74.04 H new ATOM 0 HD2 HIS A 27 -5.062 -11.916 -3.548 1.00 21.55 H new ATOM 0 HE1 HIS A 27 -3.845 -10.931 -7.483 1.00 73.21 H new ATOM 0 HE2 HIS A 27 -5.089 -12.660 -6.065 1.00 3.34 H new ATOM 466 N TYR A 28 -2.436 -8.315 -0.529 1.00 74.51 N ATOM 467 CA TYR A 28 -2.108 -7.229 0.390 1.00 54.12 C ATOM 468 C TYR A 28 -0.660 -7.332 0.857 1.00 54.53 C ATOM 469 O TYR A 28 0.054 -6.331 0.924 1.00 32.52 O ATOM 470 CB TYR A 28 -3.040 -7.240 1.601 1.00 45.20 C ATOM 471 CG TYR A 28 -4.407 -6.647 1.341 1.00 72.24 C ATOM 472 CD1 TYR A 28 -5.456 -7.429 0.873 1.00 51.23 C ATOM 473 CD2 TYR A 28 -4.653 -5.305 1.600 1.00 13.35 C ATOM 474 CE1 TYR A 28 -6.712 -6.887 0.668 1.00 61.31 C ATOM 475 CE2 TYR A 28 -5.902 -4.756 1.394 1.00 43.43 C ATOM 476 CZ TYR A 28 -6.928 -5.549 0.930 1.00 43.34 C ATOM 477 OH TYR A 28 -8.178 -5.006 0.734 1.00 1.43 O ATOM 0 H TYR A 28 -3.147 -8.961 -0.186 1.00 74.51 H new ATOM 0 HA TYR A 28 -2.240 -6.290 -0.148 1.00 54.12 H new ATOM 0 HB2 TYR A 28 -3.162 -8.268 1.941 1.00 45.20 H new ATOM 0 HB3 TYR A 28 -2.567 -6.689 2.414 1.00 45.20 H new ATOM 0 HD1 TYR A 28 -5.288 -8.476 0.666 1.00 51.23 H new ATOM 0 HD2 TYR A 28 -3.853 -4.680 1.969 1.00 13.35 H new ATOM 0 HE1 TYR A 28 -7.519 -7.507 0.305 1.00 61.31 H new ATOM 0 HE2 TYR A 28 -6.074 -3.709 1.596 1.00 43.43 H new ATOM 0 HH TYR A 28 -8.228 -4.614 -0.163 1.00 1.43 H new ATOM 487 N GLU A 29 -0.231 -8.545 1.173 1.00 53.32 N ATOM 488 CA GLU A 29 1.135 -8.779 1.601 1.00 41.40 C ATOM 489 C GLU A 29 2.101 -8.538 0.456 1.00 71.03 C ATOM 490 O GLU A 29 3.154 -7.957 0.666 1.00 5.04 O ATOM 491 CB GLU A 29 1.315 -10.187 2.168 1.00 62.44 C ATOM 492 CG GLU A 29 0.704 -10.364 3.549 1.00 21.44 C ATOM 493 CD GLU A 29 1.070 -11.691 4.179 1.00 45.35 C ATOM 494 OE1 GLU A 29 2.215 -12.150 3.977 1.00 21.00 O ATOM 495 OE2 GLU A 29 0.216 -12.280 4.872 1.00 21.10 O ATOM 0 H GLU A 29 -0.813 -9.382 1.140 1.00 53.32 H new ATOM 0 HA GLU A 29 1.356 -8.071 2.400 1.00 41.40 H new ATOM 0 HB2 GLU A 29 0.864 -10.906 1.484 1.00 62.44 H new ATOM 0 HB3 GLU A 29 2.379 -10.418 2.217 1.00 62.44 H new ATOM 0 HG2 GLU A 29 1.038 -9.554 4.197 1.00 21.44 H new ATOM 0 HG3 GLU A 29 -0.381 -10.287 3.475 1.00 21.44 H new ATOM 502 N SER A 30 1.737 -8.970 -0.750 1.00 32.01 N ATOM 503 CA SER A 30 2.543 -8.690 -1.936 1.00 72.14 C ATOM 504 C SER A 30 2.839 -7.201 -2.011 1.00 61.22 C ATOM 505 O SER A 30 3.987 -6.788 -2.185 1.00 30.11 O ATOM 506 CB SER A 30 1.815 -9.146 -3.205 1.00 44.22 C ATOM 507 OG SER A 30 2.549 -8.816 -4.370 1.00 64.44 O ATOM 0 H SER A 30 0.893 -9.513 -0.931 1.00 32.01 H new ATOM 0 HA SER A 30 3.480 -9.242 -1.862 1.00 72.14 H new ATOM 0 HB2 SER A 30 1.655 -10.224 -3.167 1.00 44.22 H new ATOM 0 HB3 SER A 30 0.831 -8.679 -3.249 1.00 44.22 H new ATOM 0 HG SER A 30 2.060 -9.121 -5.162 1.00 64.44 H new ATOM 513 N ALA A 31 1.794 -6.403 -1.846 1.00 35.24 N ATOM 514 CA ALA A 31 1.935 -4.964 -1.778 1.00 74.01 C ATOM 515 C ALA A 31 2.884 -4.577 -0.648 1.00 62.52 C ATOM 516 O ALA A 31 3.849 -3.848 -0.862 1.00 42.44 O ATOM 517 CB ALA A 31 0.572 -4.319 -1.581 1.00 63.00 C ATOM 0 H ALA A 31 0.834 -6.736 -1.757 1.00 35.24 H new ATOM 0 HA ALA A 31 2.358 -4.604 -2.716 1.00 74.01 H new ATOM 0 HB1 ALA A 31 0.686 -3.236 -1.531 1.00 63.00 H new ATOM 0 HB2 ALA A 31 -0.077 -4.577 -2.418 1.00 63.00 H new ATOM 0 HB3 ALA A 31 0.129 -4.681 -0.653 1.00 63.00 H new ATOM 523 N TYR A 32 2.617 -5.108 0.543 1.00 64.12 N ATOM 524 CA TYR A 32 3.406 -4.802 1.734 1.00 73.30 C ATOM 525 C TYR A 32 4.894 -5.115 1.545 1.00 62.12 C ATOM 526 O TYR A 32 5.741 -4.318 1.933 1.00 0.21 O ATOM 527 CB TYR A 32 2.860 -5.564 2.947 1.00 33.14 C ATOM 528 CG TYR A 32 3.760 -5.490 4.162 1.00 0.34 C ATOM 529 CD1 TYR A 32 3.948 -4.294 4.845 1.00 42.12 C ATOM 530 CD2 TYR A 32 4.439 -6.616 4.615 1.00 11.25 C ATOM 531 CE1 TYR A 32 4.782 -4.223 5.946 1.00 45.12 C ATOM 532 CE2 TYR A 32 5.276 -6.551 5.712 1.00 63.22 C ATOM 533 CZ TYR A 32 5.444 -5.354 6.374 1.00 63.33 C ATOM 534 OH TYR A 32 6.285 -5.288 7.461 1.00 13.54 O ATOM 0 H TYR A 32 1.851 -5.760 0.710 1.00 64.12 H new ATOM 0 HA TYR A 32 3.318 -3.730 1.907 1.00 73.30 H new ATOM 0 HB2 TYR A 32 1.880 -5.164 3.206 1.00 33.14 H new ATOM 0 HB3 TYR A 32 2.716 -6.610 2.675 1.00 33.14 H new ATOM 0 HD1 TYR A 32 3.434 -3.405 4.510 1.00 42.12 H new ATOM 0 HD2 TYR A 32 4.310 -7.557 4.101 1.00 11.25 H new ATOM 0 HE1 TYR A 32 4.914 -3.287 6.468 1.00 45.12 H new ATOM 0 HE2 TYR A 32 5.797 -7.435 6.050 1.00 63.22 H new ATOM 0 HH TYR A 32 6.671 -6.173 7.630 1.00 13.54 H new ATOM 544 N LYS A 33 5.216 -6.267 0.955 1.00 3.23 N ATOM 545 CA LYS A 33 6.616 -6.658 0.781 1.00 64.41 C ATOM 546 C LYS A 33 7.331 -5.642 -0.089 1.00 54.13 C ATOM 547 O LYS A 33 8.440 -5.208 0.225 1.00 33.00 O ATOM 548 CB LYS A 33 6.756 -8.039 0.131 1.00 63.52 C ATOM 549 CG LYS A 33 5.774 -9.077 0.635 1.00 24.05 C ATOM 550 CD LYS A 33 5.860 -9.299 2.142 1.00 13.35 C ATOM 551 CE LYS A 33 7.097 -10.086 2.538 1.00 41.14 C ATOM 552 NZ LYS A 33 7.059 -10.487 3.970 1.00 31.24 N ATOM 0 H LYS A 33 4.537 -6.937 0.594 1.00 3.23 H new ATOM 0 HA LYS A 33 7.061 -6.699 1.775 1.00 64.41 H new ATOM 0 HB2 LYS A 33 6.631 -7.933 -0.947 1.00 63.52 H new ATOM 0 HB3 LYS A 33 7.769 -8.404 0.300 1.00 63.52 H new ATOM 0 HG2 LYS A 33 4.762 -8.767 0.377 1.00 24.05 H new ATOM 0 HG3 LYS A 33 5.958 -10.022 0.123 1.00 24.05 H new ATOM 0 HD2 LYS A 33 5.868 -8.334 2.649 1.00 13.35 H new ATOM 0 HD3 LYS A 33 4.970 -9.830 2.480 1.00 13.35 H new ATOM 0 HE2 LYS A 33 7.178 -10.975 1.913 1.00 41.14 H new ATOM 0 HE3 LYS A 33 7.986 -9.484 2.352 1.00 41.14 H new ATOM 0 HZ1 LYS A 33 7.920 -11.022 4.204 1.00 31.24 H new ATOM 0 HZ2 LYS A 33 7.007 -9.637 4.567 1.00 31.24 H new ATOM 0 HZ3 LYS A 33 6.224 -11.082 4.142 1.00 31.24 H new ATOM 566 N HIS A 34 6.681 -5.254 -1.179 1.00 61.35 N ATOM 567 CA HIS A 34 7.263 -4.295 -2.097 1.00 1.13 C ATOM 568 C HIS A 34 7.259 -2.896 -1.487 1.00 12.14 C ATOM 569 O HIS A 34 8.147 -2.087 -1.761 1.00 15.41 O ATOM 570 CB HIS A 34 6.529 -4.298 -3.441 1.00 65.14 C ATOM 571 CG HIS A 34 6.743 -5.550 -4.240 1.00 33.24 C ATOM 572 ND1 HIS A 34 7.894 -5.823 -4.946 1.00 41.04 N ATOM 573 CD2 HIS A 34 5.925 -6.615 -4.435 1.00 32.44 C ATOM 574 CE1 HIS A 34 7.743 -7.014 -5.536 1.00 41.14 C ATOM 575 NE2 HIS A 34 6.563 -7.539 -5.256 1.00 51.35 N ATOM 0 H HIS A 34 5.755 -5.589 -1.444 1.00 61.35 H new ATOM 0 HA HIS A 34 8.296 -4.591 -2.279 1.00 1.13 H new ATOM 0 HB2 HIS A 34 5.461 -4.169 -3.263 1.00 65.14 H new ATOM 0 HB3 HIS A 34 6.860 -3.441 -4.028 1.00 65.14 H new ATOM 0 HD2 HIS A 34 4.935 -6.727 -4.019 1.00 32.44 H new ATOM 0 HE1 HIS A 34 8.488 -7.485 -6.160 1.00 41.14 H new ATOM 0 HE2 HIS A 34 6.196 -8.436 -5.576 1.00 51.35 H new ATOM 583 N ILE A 35 6.253 -2.609 -0.665 1.00 42.42 N ATOM 584 CA ILE A 35 6.216 -1.360 0.082 1.00 33.32 C ATOM 585 C ILE A 35 7.377 -1.311 1.065 1.00 31.12 C ATOM 586 O ILE A 35 8.114 -0.340 1.102 1.00 22.31 O ATOM 587 CB ILE A 35 4.881 -1.167 0.843 1.00 12.11 C ATOM 588 CG1 ILE A 35 3.733 -0.938 -0.143 1.00 34.44 C ATOM 589 CG2 ILE A 35 4.981 -0.001 1.822 1.00 20.32 C ATOM 590 CD1 ILE A 35 2.375 -0.829 0.515 1.00 21.42 C ATOM 0 H ILE A 35 5.456 -3.224 -0.501 1.00 42.42 H new ATOM 0 HA ILE A 35 6.301 -0.548 -0.640 1.00 33.32 H new ATOM 0 HB ILE A 35 4.677 -2.075 1.411 1.00 12.11 H new ATOM 0 HG12 ILE A 35 3.927 -0.026 -0.707 1.00 34.44 H new ATOM 0 HG13 ILE A 35 3.714 -1.758 -0.861 1.00 34.44 H new ATOM 0 HG21 ILE A 35 4.032 0.117 2.346 1.00 20.32 H new ATOM 0 HG22 ILE A 35 5.772 -0.200 2.545 1.00 20.32 H new ATOM 0 HG23 ILE A 35 5.210 0.914 1.276 1.00 20.32 H new ATOM 0 HD11 ILE A 35 1.613 -0.667 -0.248 1.00 21.42 H new ATOM 0 HD12 ILE A 35 2.158 -1.750 1.056 1.00 21.42 H new ATOM 0 HD13 ILE A 35 2.375 0.009 1.212 1.00 21.42 H new ATOM 602 N LYS A 36 7.558 -2.385 1.823 1.00 21.02 N ATOM 603 CA LYS A 36 8.640 -2.475 2.801 1.00 2.32 C ATOM 604 C LYS A 36 10.003 -2.405 2.109 1.00 33.45 C ATOM 605 O LYS A 36 10.994 -1.965 2.693 1.00 3.54 O ATOM 606 CB LYS A 36 8.517 -3.785 3.584 1.00 32.55 C ATOM 607 CG LYS A 36 9.466 -3.900 4.767 1.00 14.12 C ATOM 608 CD LYS A 36 9.424 -5.294 5.372 1.00 24.35 C ATOM 609 CE LYS A 36 9.941 -6.340 4.396 1.00 73.05 C ATOM 610 NZ LYS A 36 11.413 -6.235 4.188 1.00 61.52 N ATOM 0 H LYS A 36 6.965 -3.214 1.780 1.00 21.02 H new ATOM 0 HA LYS A 36 8.561 -1.632 3.488 1.00 2.32 H new ATOM 0 HB2 LYS A 36 7.493 -3.884 3.944 1.00 32.55 H new ATOM 0 HB3 LYS A 36 8.699 -4.618 2.905 1.00 32.55 H new ATOM 0 HG2 LYS A 36 10.482 -3.671 4.445 1.00 14.12 H new ATOM 0 HG3 LYS A 36 9.198 -3.164 5.525 1.00 14.12 H new ATOM 0 HD2 LYS A 36 10.024 -5.315 6.282 1.00 24.35 H new ATOM 0 HD3 LYS A 36 8.401 -5.537 5.659 1.00 24.35 H new ATOM 0 HE2 LYS A 36 9.698 -7.335 4.770 1.00 73.05 H new ATOM 0 HE3 LYS A 36 9.431 -6.226 3.439 1.00 73.05 H new ATOM 0 HZ1 LYS A 36 11.740 -7.036 3.611 1.00 61.52 H new ATOM 0 HZ2 LYS A 36 11.632 -5.344 3.698 1.00 61.52 H new ATOM 0 HZ3 LYS A 36 11.896 -6.251 5.109 1.00 61.52 H new ATOM 624 N ASP A 37 10.039 -2.857 0.862 1.00 11.34 N ATOM 625 CA ASP A 37 11.257 -2.829 0.059 1.00 25.43 C ATOM 626 C ASP A 37 11.624 -1.405 -0.349 1.00 65.33 C ATOM 627 O ASP A 37 12.775 -0.993 -0.224 1.00 42.42 O ATOM 628 CB ASP A 37 11.087 -3.703 -1.184 1.00 71.43 C ATOM 629 CG ASP A 37 12.218 -3.534 -2.180 1.00 2.43 C ATOM 630 OD1 ASP A 37 13.361 -3.929 -1.864 1.00 35.13 O ATOM 631 OD2 ASP A 37 11.965 -3.004 -3.282 1.00 33.20 O ATOM 0 H ASP A 37 9.231 -3.251 0.380 1.00 11.34 H new ATOM 0 HA ASP A 37 12.069 -3.223 0.669 1.00 25.43 H new ATOM 0 HB2 ASP A 37 11.028 -4.749 -0.882 1.00 71.43 H new ATOM 0 HB3 ASP A 37 10.142 -3.457 -1.669 1.00 71.43 H new ATOM 636 N HIS A 38 10.645 -0.654 -0.830 1.00 3.01 N ATOM 637 CA HIS A 38 10.895 0.709 -1.298 1.00 25.40 C ATOM 638 C HIS A 38 10.806 1.711 -0.150 1.00 12.10 C ATOM 639 O HIS A 38 11.428 2.772 -0.184 1.00 30.41 O ATOM 640 CB HIS A 38 9.903 1.096 -2.397 1.00 1.25 C ATOM 641 CG HIS A 38 9.979 0.233 -3.620 1.00 43.44 C ATOM 642 ND1 HIS A 38 9.028 -0.712 -3.928 1.00 22.51 N ATOM 643 CD2 HIS A 38 10.883 0.190 -4.627 1.00 30.00 C ATOM 644 CE1 HIS A 38 9.340 -1.294 -5.068 1.00 72.04 C ATOM 645 NE2 HIS A 38 10.460 -0.768 -5.514 1.00 64.32 N ATOM 0 H HIS A 38 9.675 -0.959 -0.908 1.00 3.01 H new ATOM 0 HA HIS A 38 11.906 0.735 -1.706 1.00 25.40 H new ATOM 0 HB2 HIS A 38 8.892 1.047 -1.993 1.00 1.25 H new ATOM 0 HB3 HIS A 38 10.081 2.132 -2.685 1.00 1.25 H new ATOM 0 HD1 HIS A 38 8.208 -0.929 -3.361 1.00 22.51 H new ATOM 0 HD2 HIS A 38 11.772 0.797 -4.716 1.00 30.00 H new ATOM 0 HE1 HIS A 38 8.771 -2.073 -5.555 1.00 72.04 H new ATOM 654 N PHE A 39 10.027 1.365 0.860 1.00 23.21 N ATOM 655 CA PHE A 39 9.809 2.230 2.007 1.00 54.30 C ATOM 656 C PHE A 39 10.112 1.480 3.297 1.00 1.32 C ATOM 657 O PHE A 39 9.209 0.928 3.926 1.00 14.14 O ATOM 658 CB PHE A 39 8.358 2.730 2.040 1.00 11.41 C ATOM 659 CG PHE A 39 7.900 3.365 0.760 1.00 60.20 C ATOM 660 CD1 PHE A 39 8.232 4.672 0.472 1.00 2.42 C ATOM 661 CD2 PHE A 39 7.134 2.654 -0.151 1.00 0.14 C ATOM 662 CE1 PHE A 39 7.814 5.269 -0.698 1.00 74.25 C ATOM 663 CE2 PHE A 39 6.711 3.244 -1.327 1.00 54.44 C ATOM 664 CZ PHE A 39 7.053 4.555 -1.602 1.00 14.14 C ATOM 0 H PHE A 39 9.528 0.477 0.908 1.00 23.21 H new ATOM 0 HA PHE A 39 10.478 3.086 1.918 1.00 54.30 H new ATOM 0 HB2 PHE A 39 7.701 1.892 2.273 1.00 11.41 H new ATOM 0 HB3 PHE A 39 8.252 3.452 2.850 1.00 11.41 H new ATOM 0 HD1 PHE A 39 8.828 5.236 1.174 1.00 2.42 H new ATOM 0 HD2 PHE A 39 6.865 1.630 0.060 1.00 0.14 H new ATOM 0 HE1 PHE A 39 8.082 6.294 -0.907 1.00 74.25 H new ATOM 0 HE2 PHE A 39 6.114 2.682 -2.030 1.00 54.44 H new ATOM 0 HZ PHE A 39 6.726 5.019 -2.521 1.00 14.14 H new ATOM 674 N ARG A 40 11.384 1.425 3.671 1.00 3.32 N ATOM 675 CA ARG A 40 11.774 0.788 4.925 1.00 71.11 C ATOM 676 C ARG A 40 11.456 1.726 6.073 1.00 51.42 C ATOM 677 O ARG A 40 10.608 1.440 6.919 1.00 35.12 O ATOM 678 CB ARG A 40 13.270 0.443 4.955 1.00 3.52 C ATOM 679 CG ARG A 40 13.715 -0.585 3.927 1.00 40.33 C ATOM 680 CD ARG A 40 13.701 -0.022 2.517 1.00 2.41 C ATOM 681 NE ARG A 40 14.460 1.224 2.406 1.00 13.11 N ATOM 682 CZ ARG A 40 14.655 1.871 1.258 1.00 75.43 C ATOM 683 NH1 ARG A 40 14.189 1.362 0.122 1.00 64.33 N ATOM 684 NH2 ARG A 40 15.330 3.015 1.244 1.00 14.53 N ATOM 0 H ARG A 40 12.158 1.810 3.130 1.00 3.32 H new ATOM 0 HA ARG A 40 11.216 -0.144 5.018 1.00 71.11 H new ATOM 0 HB2 ARG A 40 13.841 1.358 4.801 1.00 3.52 H new ATOM 0 HB3 ARG A 40 13.522 0.073 5.949 1.00 3.52 H new ATOM 0 HG2 ARG A 40 14.720 -0.929 4.170 1.00 40.33 H new ATOM 0 HG3 ARG A 40 13.060 -1.455 3.977 1.00 40.33 H new ATOM 0 HD2 ARG A 40 14.116 -0.760 1.830 1.00 2.41 H new ATOM 0 HD3 ARG A 40 12.670 0.155 2.210 1.00 2.41 H new ATOM 0 HE ARG A 40 14.863 1.620 3.256 1.00 13.11 H new ATOM 0 HH11 ARG A 40 13.683 0.477 0.130 1.00 64.33 H new ATOM 0 HH12 ARG A 40 14.338 1.857 -0.757 1.00 64.33 H new ATOM 0 HH21 ARG A 40 15.700 3.399 2.113 1.00 14.53 H new ATOM 0 HH22 ARG A 40 15.478 3.509 0.364 1.00 14.53 H new ATOM 698 N HIS A 41 12.151 2.852 6.092 1.00 70.52 N ATOM 699 CA HIS A 41 11.880 3.896 7.059 1.00 33.32 C ATOM 700 C HIS A 41 11.521 5.187 6.351 1.00 54.12 C ATOM 701 O HIS A 41 12.367 6.045 6.102 1.00 1.05 O ATOM 702 CB HIS A 41 13.055 4.096 8.014 1.00 40.03 C ATOM 703 CG HIS A 41 13.120 3.046 9.076 1.00 74.02 C ATOM 704 ND1 HIS A 41 12.811 3.292 10.393 1.00 44.04 N ATOM 705 CD2 HIS A 41 13.436 1.732 9.005 1.00 12.03 C ATOM 706 CE1 HIS A 41 12.932 2.179 11.088 1.00 41.23 C ATOM 707 NE2 HIS A 41 13.310 1.217 10.268 1.00 21.05 N ATOM 0 H HIS A 41 12.910 3.064 5.444 1.00 70.52 H new ATOM 0 HA HIS A 41 11.027 3.585 7.663 1.00 33.32 H new ATOM 0 HB2 HIS A 41 13.985 4.090 7.446 1.00 40.03 H new ATOM 0 HB3 HIS A 41 12.974 5.077 8.483 1.00 40.03 H new ATOM 0 HD2 HIS A 41 13.732 1.191 8.119 1.00 12.03 H new ATOM 0 HE1 HIS A 41 12.752 2.072 12.148 1.00 41.23 H new ATOM 0 HE2 HIS A 41 13.481 0.247 10.532 1.00 21.05 H new ATOM 716 N LYS A 42 10.261 5.268 5.971 1.00 51.23 N ATOM 717 CA LYS A 42 9.701 6.456 5.366 1.00 11.22 C ATOM 718 C LYS A 42 8.308 6.677 5.936 1.00 24.54 C ATOM 719 O LYS A 42 7.383 5.903 5.662 1.00 32.44 O ATOM 720 CB LYS A 42 9.669 6.315 3.836 1.00 23.33 C ATOM 721 CG LYS A 42 9.054 7.504 3.110 1.00 43.00 C ATOM 722 CD LYS A 42 9.335 7.460 1.614 1.00 10.15 C ATOM 723 CE LYS A 42 10.793 7.742 1.296 1.00 11.21 C ATOM 724 NZ LYS A 42 11.039 9.188 1.047 1.00 23.14 N ATOM 0 H LYS A 42 9.593 4.504 6.075 1.00 51.23 H new ATOM 0 HA LYS A 42 10.321 7.323 5.595 1.00 11.22 H new ATOM 0 HB2 LYS A 42 10.687 6.171 3.475 1.00 23.33 H new ATOM 0 HB3 LYS A 42 9.109 5.417 3.577 1.00 23.33 H new ATOM 0 HG2 LYS A 42 7.977 7.515 3.277 1.00 43.00 H new ATOM 0 HG3 LYS A 42 9.451 8.430 3.527 1.00 43.00 H new ATOM 0 HD2 LYS A 42 9.063 6.479 1.224 1.00 10.15 H new ATOM 0 HD3 LYS A 42 8.706 8.191 1.106 1.00 10.15 H new ATOM 0 HE2 LYS A 42 11.416 7.405 2.124 1.00 11.21 H new ATOM 0 HE3 LYS A 42 11.091 7.167 0.419 1.00 11.21 H new ATOM 0 HZ1 LYS A 42 12.039 9.333 0.800 1.00 23.14 H new ATOM 0 HZ2 LYS A 42 10.439 9.512 0.262 1.00 23.14 H new ATOM 0 HZ3 LYS A 42 10.812 9.731 1.904 1.00 23.14 H new ATOM 738 N LEU A 43 8.191 7.695 6.782 1.00 41.44 N ATOM 739 CA LEU A 43 6.931 8.020 7.443 1.00 74.31 C ATOM 740 C LEU A 43 5.837 8.251 6.412 1.00 22.10 C ATOM 741 O LEU A 43 6.117 8.679 5.292 1.00 10.15 O ATOM 742 CB LEU A 43 7.092 9.279 8.304 1.00 63.41 C ATOM 743 CG LEU A 43 8.230 9.238 9.324 1.00 23.55 C ATOM 744 CD1 LEU A 43 8.350 10.577 10.036 1.00 4.20 C ATOM 745 CD2 LEU A 43 8.005 8.120 10.328 1.00 51.43 C ATOM 0 H LEU A 43 8.962 8.315 7.028 1.00 41.44 H new ATOM 0 HA LEU A 43 6.652 7.181 8.080 1.00 74.31 H new ATOM 0 HB2 LEU A 43 7.250 10.132 7.644 1.00 63.41 H new ATOM 0 HB3 LEU A 43 6.157 9.456 8.836 1.00 63.41 H new ATOM 0 HG LEU A 43 9.163 9.042 8.795 1.00 23.55 H new ATOM 0 HD11 LEU A 43 9.164 10.533 10.759 1.00 4.20 H new ATOM 0 HD12 LEU A 43 8.555 11.360 9.306 1.00 4.20 H new ATOM 0 HD13 LEU A 43 7.417 10.799 10.554 1.00 4.20 H new ATOM 0 HD21 LEU A 43 8.825 8.106 11.046 1.00 51.43 H new ATOM 0 HD22 LEU A 43 7.065 8.287 10.854 1.00 51.43 H new ATOM 0 HD23 LEU A 43 7.964 7.164 9.805 1.00 51.43 H new ATOM 757 N LEU A 44 4.592 7.988 6.783 1.00 11.14 N ATOM 758 CA LEU A 44 3.488 8.185 5.844 1.00 22.01 C ATOM 759 C LEU A 44 3.229 9.677 5.601 1.00 2.42 C ATOM 760 O LEU A 44 2.417 10.047 4.758 1.00 12.32 O ATOM 761 CB LEU A 44 2.206 7.473 6.307 1.00 4.13 C ATOM 762 CG LEU A 44 1.458 8.097 7.487 1.00 43.25 C ATOM 763 CD1 LEU A 44 0.072 7.484 7.602 1.00 63.01 C ATOM 764 CD2 LEU A 44 2.220 7.896 8.784 1.00 20.40 C ATOM 0 H LEU A 44 4.321 7.645 7.705 1.00 11.14 H new ATOM 0 HA LEU A 44 3.787 7.733 4.898 1.00 22.01 H new ATOM 0 HB2 LEU A 44 1.522 7.421 5.460 1.00 4.13 H new ATOM 0 HB3 LEU A 44 2.464 6.448 6.572 1.00 4.13 H new ATOM 0 HG LEU A 44 1.368 9.168 7.306 1.00 43.25 H new ATOM 0 HD11 LEU A 44 -0.455 7.932 8.444 1.00 63.01 H new ATOM 0 HD12 LEU A 44 -0.485 7.670 6.684 1.00 63.01 H new ATOM 0 HD13 LEU A 44 0.161 6.409 7.761 1.00 63.01 H new ATOM 0 HD21 LEU A 44 1.666 8.349 9.606 1.00 20.40 H new ATOM 0 HD22 LEU A 44 2.342 6.829 8.973 1.00 20.40 H new ATOM 0 HD23 LEU A 44 3.201 8.365 8.706 1.00 20.40 H new ATOM 776 N LYS A 45 3.931 10.530 6.348 1.00 71.34 N ATOM 777 CA LYS A 45 3.889 11.972 6.112 1.00 53.00 C ATOM 778 C LYS A 45 5.036 12.391 5.194 1.00 73.14 C ATOM 779 O LYS A 45 5.123 13.546 4.770 1.00 1.00 O ATOM 780 CB LYS A 45 4.015 12.748 7.424 1.00 52.00 C ATOM 781 CG LYS A 45 5.378 12.587 8.084 1.00 22.31 C ATOM 782 CD LYS A 45 5.704 13.746 9.011 1.00 1.53 C ATOM 783 CE LYS A 45 5.738 15.072 8.262 1.00 75.02 C ATOM 784 NZ LYS A 45 6.579 15.007 7.033 1.00 70.33 N ATOM 0 H LYS A 45 4.534 10.247 7.120 1.00 71.34 H new ATOM 0 HA LYS A 45 2.930 12.200 5.647 1.00 53.00 H new ATOM 0 HB2 LYS A 45 3.833 13.806 7.233 1.00 52.00 H new ATOM 0 HB3 LYS A 45 3.242 12.411 8.114 1.00 52.00 H new ATOM 0 HG2 LYS A 45 5.399 11.655 8.648 1.00 22.31 H new ATOM 0 HG3 LYS A 45 6.146 12.511 7.315 1.00 22.31 H new ATOM 0 HD2 LYS A 45 4.961 13.796 9.807 1.00 1.53 H new ATOM 0 HD3 LYS A 45 6.669 13.572 9.487 1.00 1.53 H new ATOM 0 HE2 LYS A 45 4.722 15.359 7.990 1.00 75.02 H new ATOM 0 HE3 LYS A 45 6.123 15.850 8.922 1.00 75.02 H new ATOM 0 HZ1 LYS A 45 6.880 15.966 6.767 1.00 70.33 H new ATOM 0 HZ2 LYS A 45 7.418 14.420 7.217 1.00 70.33 H new ATOM 0 HZ3 LYS A 45 6.027 14.589 6.257 1.00 70.33 H new ATOM 798 N ASP A 46 5.938 11.459 4.929 1.00 13.14 N ATOM 799 CA ASP A 46 7.096 11.732 4.091 1.00 13.41 C ATOM 800 C ASP A 46 6.784 11.343 2.659 1.00 75.33 C ATOM 801 O ASP A 46 7.261 11.967 1.710 1.00 61.31 O ATOM 802 CB ASP A 46 8.317 10.957 4.593 1.00 41.52 C ATOM 803 CG ASP A 46 9.586 11.326 3.854 1.00 74.31 C ATOM 804 OD1 ASP A 46 10.279 12.268 4.295 1.00 72.10 O ATOM 805 OD2 ASP A 46 9.903 10.675 2.844 1.00 53.24 O ATOM 0 H ASP A 46 5.890 10.504 5.283 1.00 13.14 H new ATOM 0 HA ASP A 46 7.324 12.797 4.136 1.00 13.41 H new ATOM 0 HB2 ASP A 46 8.452 11.149 5.657 1.00 41.52 H new ATOM 0 HB3 ASP A 46 8.135 9.888 4.483 1.00 41.52 H new ATOM 810 N ILE A 47 5.958 10.315 2.524 1.00 2.44 N ATOM 811 CA ILE A 47 5.525 9.842 1.226 1.00 14.04 C ATOM 812 C ILE A 47 4.574 10.842 0.593 1.00 72.44 C ATOM 813 O ILE A 47 3.670 11.365 1.245 1.00 30.50 O ATOM 814 CB ILE A 47 4.845 8.461 1.319 1.00 62.25 C ATOM 815 CG1 ILE A 47 5.819 7.453 1.928 1.00 22.41 C ATOM 816 CG2 ILE A 47 4.375 7.992 -0.057 1.00 53.11 C ATOM 817 CD1 ILE A 47 5.293 6.040 1.977 1.00 45.41 C ATOM 0 H ILE A 47 5.573 9.791 3.310 1.00 2.44 H new ATOM 0 HA ILE A 47 6.413 9.738 0.602 1.00 14.04 H new ATOM 0 HB ILE A 47 3.967 8.542 1.960 1.00 62.25 H new ATOM 0 HG12 ILE A 47 6.744 7.465 1.352 1.00 22.41 H new ATOM 0 HG13 ILE A 47 6.069 7.771 2.940 1.00 22.41 H new ATOM 0 HG21 ILE A 47 3.899 7.016 0.034 1.00 53.11 H new ATOM 0 HG22 ILE A 47 3.660 8.708 -0.461 1.00 53.11 H new ATOM 0 HG23 ILE A 47 5.231 7.917 -0.728 1.00 53.11 H new ATOM 0 HD11 ILE A 47 6.044 5.387 2.422 1.00 45.41 H new ATOM 0 HD12 ILE A 47 4.384 6.011 2.578 1.00 45.41 H new ATOM 0 HD13 ILE A 47 5.070 5.699 0.966 1.00 45.41 H new ATOM 829 N LYS A 48 4.797 11.110 -0.676 1.00 2.25 N ATOM 830 CA LYS A 48 4.011 12.076 -1.405 1.00 45.13 C ATOM 831 C LYS A 48 3.737 11.540 -2.800 1.00 0.23 C ATOM 832 O LYS A 48 4.099 10.404 -3.102 1.00 33.15 O ATOM 833 CB LYS A 48 4.761 13.404 -1.455 1.00 73.53 C ATOM 834 CG LYS A 48 5.961 13.399 -2.381 1.00 53.01 C ATOM 835 CD LYS A 48 6.870 14.583 -2.117 1.00 52.12 C ATOM 836 CE LYS A 48 7.618 14.415 -0.807 1.00 44.32 C ATOM 837 NZ LYS A 48 8.588 15.513 -0.567 1.00 64.40 N ATOM 0 H LYS A 48 5.528 10.663 -1.229 1.00 2.25 H new ATOM 0 HA LYS A 48 3.056 12.246 -0.908 1.00 45.13 H new ATOM 0 HB2 LYS A 48 4.072 14.187 -1.773 1.00 73.53 H new ATOM 0 HB3 LYS A 48 5.092 13.661 -0.449 1.00 73.53 H new ATOM 0 HG2 LYS A 48 6.520 12.473 -2.249 1.00 53.01 H new ATOM 0 HG3 LYS A 48 5.623 13.422 -3.417 1.00 53.01 H new ATOM 0 HD2 LYS A 48 7.582 14.688 -2.935 1.00 52.12 H new ATOM 0 HD3 LYS A 48 6.280 15.499 -2.088 1.00 52.12 H new ATOM 0 HE2 LYS A 48 6.903 14.379 0.015 1.00 44.32 H new ATOM 0 HE3 LYS A 48 8.146 13.461 -0.812 1.00 44.32 H new ATOM 0 HZ1 LYS A 48 9.074 15.355 0.339 1.00 64.40 H new ATOM 0 HZ2 LYS A 48 9.287 15.533 -1.337 1.00 64.40 H new ATOM 0 HZ3 LYS A 48 8.083 16.422 -0.535 1.00 64.40 H new ATOM 851 N ARG A 49 3.121 12.346 -3.650 1.00 61.23 N ATOM 852 CA ARG A 49 2.743 11.894 -4.985 1.00 55.24 C ATOM 853 C ARG A 49 3.953 11.404 -5.788 1.00 23.53 C ATOM 854 O ARG A 49 3.855 10.428 -6.525 1.00 33.00 O ATOM 855 CB ARG A 49 1.998 13.004 -5.727 1.00 71.53 C ATOM 856 CG ARG A 49 2.754 14.315 -5.813 1.00 33.31 C ATOM 857 CD ARG A 49 1.846 15.425 -6.304 1.00 65.43 C ATOM 858 NE ARG A 49 2.540 16.702 -6.410 1.00 13.23 N ATOM 859 CZ ARG A 49 2.090 17.838 -5.888 1.00 1.15 C ATOM 860 NH1 ARG A 49 0.969 17.851 -5.180 1.00 54.55 N ATOM 861 NH2 ARG A 49 2.769 18.963 -6.064 1.00 24.14 N ATOM 0 H ARG A 49 2.872 13.313 -3.443 1.00 61.23 H new ATOM 0 HA ARG A 49 2.074 11.041 -4.873 1.00 55.24 H new ATOM 0 HB2 ARG A 49 1.772 12.662 -6.737 1.00 71.53 H new ATOM 0 HB3 ARG A 49 1.044 13.180 -5.230 1.00 71.53 H new ATOM 0 HG2 ARG A 49 3.156 14.574 -4.833 1.00 33.31 H new ATOM 0 HG3 ARG A 49 3.603 14.207 -6.488 1.00 33.31 H new ATOM 0 HD2 ARG A 49 1.438 15.154 -7.278 1.00 65.43 H new ATOM 0 HD3 ARG A 49 1.002 15.529 -5.623 1.00 65.43 H new ATOM 0 HE ARG A 49 3.425 16.725 -6.916 1.00 13.23 H new ATOM 0 HH11 ARG A 49 0.448 16.986 -5.034 1.00 54.55 H new ATOM 0 HH12 ARG A 49 0.628 18.726 -4.781 1.00 54.55 H new ATOM 0 HH21 ARG A 49 3.637 18.956 -6.600 1.00 24.14 H new ATOM 0 HH22 ARG A 49 2.424 19.835 -5.663 1.00 24.14 H new ATOM 875 N THR A 50 5.097 12.063 -5.627 1.00 54.35 N ATOM 876 CA THR A 50 6.310 11.642 -6.320 1.00 54.33 C ATOM 877 C THR A 50 6.844 10.339 -5.730 1.00 54.35 C ATOM 878 O THR A 50 7.345 9.475 -6.450 1.00 60.53 O ATOM 879 CB THR A 50 7.403 12.724 -6.251 1.00 13.43 C ATOM 880 OG1 THR A 50 7.740 13.003 -4.885 1.00 42.43 O ATOM 881 CG2 THR A 50 6.932 14.000 -6.930 1.00 4.22 C ATOM 0 H THR A 50 5.209 12.882 -5.029 1.00 54.35 H new ATOM 0 HA THR A 50 6.047 11.483 -7.366 1.00 54.33 H new ATOM 0 HB THR A 50 8.286 12.351 -6.770 1.00 13.43 H new ATOM 0 HG1 THR A 50 8.339 12.305 -4.547 1.00 42.43 H new ATOM 0 HG21 THR A 50 7.717 14.754 -6.872 1.00 4.22 H new ATOM 0 HG22 THR A 50 6.704 13.793 -7.976 1.00 4.22 H new ATOM 0 HG23 THR A 50 6.037 14.369 -6.430 1.00 4.22 H new ATOM 889 N GLU A 51 6.716 10.200 -4.416 1.00 2.42 N ATOM 890 CA GLU A 51 7.191 9.017 -3.716 1.00 3.13 C ATOM 891 C GLU A 51 6.339 7.812 -4.093 1.00 35.45 C ATOM 892 O GLU A 51 6.837 6.696 -4.241 1.00 2.30 O ATOM 893 CB GLU A 51 7.141 9.250 -2.203 1.00 73.43 C ATOM 894 CG GLU A 51 7.903 10.482 -1.747 1.00 23.21 C ATOM 895 CD GLU A 51 9.357 10.469 -2.160 1.00 55.21 C ATOM 896 OE1 GLU A 51 10.178 9.847 -1.450 1.00 70.12 O ATOM 897 OE2 GLU A 51 9.682 11.095 -3.189 1.00 73.11 O ATOM 0 H GLU A 51 6.284 10.899 -3.812 1.00 2.42 H new ATOM 0 HA GLU A 51 8.223 8.821 -4.007 1.00 3.13 H new ATOM 0 HB2 GLU A 51 6.100 9.343 -1.893 1.00 73.43 H new ATOM 0 HB3 GLU A 51 7.547 8.375 -1.696 1.00 73.43 H new ATOM 0 HG2 GLU A 51 7.423 11.371 -2.157 1.00 23.21 H new ATOM 0 HG3 GLU A 51 7.841 10.559 -0.661 1.00 23.21 H new ATOM 904 N TYR A 52 5.051 8.064 -4.261 1.00 42.42 N ATOM 905 CA TYR A 52 4.102 7.038 -4.657 1.00 12.32 C ATOM 906 C TYR A 52 4.350 6.621 -6.102 1.00 65.21 C ATOM 907 O TYR A 52 4.276 5.441 -6.443 1.00 52.14 O ATOM 908 CB TYR A 52 2.682 7.578 -4.489 1.00 4.25 C ATOM 909 CG TYR A 52 1.591 6.544 -4.627 1.00 42.34 C ATOM 910 CD1 TYR A 52 1.715 5.290 -4.042 1.00 53.41 C ATOM 911 CD2 TYR A 52 0.428 6.828 -5.330 1.00 5.32 C ATOM 912 CE1 TYR A 52 0.711 4.352 -4.155 1.00 41.00 C ATOM 913 CE2 TYR A 52 -0.582 5.894 -5.441 1.00 44.14 C ATOM 914 CZ TYR A 52 -0.436 4.659 -4.852 1.00 1.41 C ATOM 915 OH TYR A 52 -1.439 3.730 -4.957 1.00 63.13 O ATOM 0 H TYR A 52 4.635 8.985 -4.127 1.00 42.42 H new ATOM 0 HA TYR A 52 4.228 6.159 -4.025 1.00 12.32 H new ATOM 0 HB2 TYR A 52 2.599 8.044 -3.507 1.00 4.25 H new ATOM 0 HB3 TYR A 52 2.516 8.361 -5.229 1.00 4.25 H new ATOM 0 HD1 TYR A 52 2.611 5.046 -3.491 1.00 53.41 H new ATOM 0 HD2 TYR A 52 0.312 7.795 -5.797 1.00 5.32 H new ATOM 0 HE1 TYR A 52 0.824 3.380 -3.698 1.00 41.00 H new ATOM 0 HE2 TYR A 52 -1.483 6.131 -5.988 1.00 44.14 H new ATOM 0 HH TYR A 52 -2.179 4.105 -5.480 1.00 63.13 H new ATOM 925 N GLN A 53 4.664 7.605 -6.941 1.00 75.31 N ATOM 926 CA GLN A 53 4.966 7.357 -8.346 1.00 2.43 C ATOM 927 C GLN A 53 6.145 6.397 -8.489 1.00 42.21 C ATOM 928 O GLN A 53 6.138 5.526 -9.363 1.00 10.04 O ATOM 929 CB GLN A 53 5.272 8.673 -9.063 1.00 10.43 C ATOM 930 CG GLN A 53 5.535 8.509 -10.552 1.00 11.53 C ATOM 931 CD GLN A 53 4.330 7.978 -11.304 1.00 30.32 C ATOM 932 OE1 GLN A 53 3.499 8.746 -11.785 1.00 31.22 O ATOM 933 NE2 GLN A 53 4.233 6.661 -11.422 1.00 64.32 N ATOM 0 H GLN A 53 4.716 8.587 -6.669 1.00 75.31 H new ATOM 0 HA GLN A 53 4.091 6.897 -8.805 1.00 2.43 H new ATOM 0 HB2 GLN A 53 4.434 9.356 -8.924 1.00 10.43 H new ATOM 0 HB3 GLN A 53 6.142 9.137 -8.598 1.00 10.43 H new ATOM 0 HG2 GLN A 53 5.826 9.471 -10.973 1.00 11.53 H new ATOM 0 HG3 GLN A 53 6.376 7.830 -10.696 1.00 11.53 H new ATOM 0 HE21 GLN A 53 4.944 6.058 -11.008 1.00 64.32 H new ATOM 0 HE22 GLN A 53 3.447 6.251 -11.927 1.00 64.32 H new ATOM 942 N LYS A 54 7.149 6.555 -7.624 1.00 54.12 N ATOM 943 CA LYS A 54 8.317 5.674 -7.625 1.00 71.24 C ATOM 944 C LYS A 54 7.881 4.222 -7.467 1.00 13.30 C ATOM 945 O LYS A 54 8.250 3.352 -8.260 1.00 42.51 O ATOM 946 CB LYS A 54 9.259 6.034 -6.473 1.00 75.40 C ATOM 947 CG LYS A 54 9.755 7.469 -6.494 1.00 30.23 C ATOM 948 CD LYS A 54 10.506 7.805 -5.216 1.00 0.15 C ATOM 949 CE LYS A 54 10.991 9.244 -5.210 1.00 64.11 C ATOM 950 NZ LYS A 54 11.975 9.504 -6.290 1.00 32.13 N ATOM 0 H LYS A 54 7.176 7.286 -6.913 1.00 54.12 H new ATOM 0 HA LYS A 54 8.837 5.802 -8.574 1.00 71.24 H new ATOM 0 HB2 LYS A 54 8.744 5.854 -5.529 1.00 75.40 H new ATOM 0 HB3 LYS A 54 10.119 5.365 -6.500 1.00 75.40 H new ATOM 0 HG2 LYS A 54 10.408 7.619 -7.354 1.00 30.23 H new ATOM 0 HG3 LYS A 54 8.910 8.148 -6.613 1.00 30.23 H new ATOM 0 HD2 LYS A 54 9.856 7.637 -4.357 1.00 0.15 H new ATOM 0 HD3 LYS A 54 11.358 7.134 -5.107 1.00 0.15 H new ATOM 0 HE2 LYS A 54 10.139 9.914 -5.327 1.00 64.11 H new ATOM 0 HE3 LYS A 54 11.444 9.470 -4.245 1.00 64.11 H new ATOM 0 HZ1 LYS A 54 12.418 10.433 -6.140 1.00 32.13 H new ATOM 0 HZ2 LYS A 54 12.707 8.765 -6.278 1.00 32.13 H new ATOM 0 HZ3 LYS A 54 11.491 9.496 -7.210 1.00 32.13 H new ATOM 964 N PHE A 55 7.075 3.989 -6.440 1.00 41.15 N ATOM 965 CA PHE A 55 6.588 2.658 -6.116 1.00 2.42 C ATOM 966 C PHE A 55 5.741 2.094 -7.252 1.00 55.40 C ATOM 967 O PHE A 55 5.906 0.937 -7.638 1.00 43.44 O ATOM 968 CB PHE A 55 5.781 2.711 -4.814 1.00 2.43 C ATOM 969 CG PHE A 55 5.179 1.397 -4.412 1.00 53.41 C ATOM 970 CD1 PHE A 55 5.985 0.323 -4.080 1.00 5.23 C ATOM 971 CD2 PHE A 55 3.805 1.242 -4.358 1.00 40.32 C ATOM 972 CE1 PHE A 55 5.432 -0.886 -3.707 1.00 54.21 C ATOM 973 CE2 PHE A 55 3.247 0.037 -3.985 1.00 63.54 C ATOM 974 CZ PHE A 55 4.059 -1.029 -3.659 1.00 34.01 C ATOM 0 H PHE A 55 6.741 4.718 -5.809 1.00 41.15 H new ATOM 0 HA PHE A 55 7.442 1.994 -5.981 1.00 2.42 H new ATOM 0 HB2 PHE A 55 6.430 3.062 -4.011 1.00 2.43 H new ATOM 0 HB3 PHE A 55 4.983 3.446 -4.923 1.00 2.43 H new ATOM 0 HD1 PHE A 55 7.059 0.431 -4.113 1.00 5.23 H new ATOM 0 HD2 PHE A 55 3.163 2.073 -4.610 1.00 40.32 H new ATOM 0 HE1 PHE A 55 6.072 -1.718 -3.453 1.00 54.21 H new ATOM 0 HE2 PHE A 55 2.173 -0.072 -3.948 1.00 63.54 H new ATOM 0 HZ PHE A 55 3.623 -1.973 -3.367 1.00 34.01 H new ATOM 984 N LEU A 56 4.851 2.923 -7.794 1.00 30.43 N ATOM 985 CA LEU A 56 3.958 2.498 -8.867 1.00 55.43 C ATOM 986 C LEU A 56 4.742 2.082 -10.106 1.00 73.42 C ATOM 987 O LEU A 56 4.457 1.050 -10.709 1.00 40.41 O ATOM 988 CB LEU A 56 2.977 3.616 -9.228 1.00 61.32 C ATOM 989 CG LEU A 56 1.993 4.010 -8.126 1.00 10.42 C ATOM 990 CD1 LEU A 56 1.101 5.145 -8.599 1.00 42.23 C ATOM 991 CD2 LEU A 56 1.154 2.811 -7.703 1.00 52.13 C ATOM 0 H LEU A 56 4.730 3.894 -7.506 1.00 30.43 H new ATOM 0 HA LEU A 56 3.399 1.635 -8.506 1.00 55.43 H new ATOM 0 HB2 LEU A 56 3.549 4.499 -9.513 1.00 61.32 H new ATOM 0 HB3 LEU A 56 2.408 3.307 -10.105 1.00 61.32 H new ATOM 0 HG LEU A 56 2.560 4.352 -7.260 1.00 10.42 H new ATOM 0 HD11 LEU A 56 0.405 5.416 -7.805 1.00 42.23 H new ATOM 0 HD12 LEU A 56 1.715 6.009 -8.853 1.00 42.23 H new ATOM 0 HD13 LEU A 56 0.542 4.826 -9.478 1.00 42.23 H new ATOM 0 HD21 LEU A 56 0.460 3.111 -6.918 1.00 52.13 H new ATOM 0 HD22 LEU A 56 0.593 2.439 -8.560 1.00 52.13 H new ATOM 0 HD23 LEU A 56 1.808 2.024 -7.327 1.00 52.13 H new ATOM 1003 N ASN A 57 5.737 2.877 -10.473 1.00 1.21 N ATOM 1004 CA ASN A 57 6.520 2.605 -11.674 1.00 73.43 C ATOM 1005 C ASN A 57 7.224 1.257 -11.590 1.00 31.32 C ATOM 1006 O ASN A 57 7.112 0.434 -12.497 1.00 44.14 O ATOM 1007 CB ASN A 57 7.550 3.710 -11.921 1.00 23.11 C ATOM 1008 CG ASN A 57 6.960 4.911 -12.634 1.00 14.42 C ATOM 1009 OD1 ASN A 57 5.992 4.793 -13.384 1.00 11.21 O ATOM 1010 ND2 ASN A 57 7.555 6.074 -12.422 1.00 25.32 N ATOM 0 H ASN A 57 6.022 3.712 -9.961 1.00 1.21 H new ATOM 0 HA ASN A 57 5.822 2.578 -12.510 1.00 73.43 H new ATOM 0 HB2 ASN A 57 7.970 4.029 -10.967 1.00 23.11 H new ATOM 0 HB3 ASN A 57 8.372 3.309 -12.513 1.00 23.11 H new ATOM 0 HD21 ASN A 57 7.213 6.914 -12.888 1.00 25.32 H new ATOM 0 HD22 ASN A 57 8.355 6.130 -11.792 1.00 25.32 H new ATOM 1017 N GLU A 58 7.928 1.029 -10.490 1.00 14.43 N ATOM 1018 CA GLU A 58 8.704 -0.194 -10.323 1.00 40.12 C ATOM 1019 C GLU A 58 7.795 -1.410 -10.140 1.00 22.34 C ATOM 1020 O GLU A 58 8.147 -2.524 -10.533 1.00 3.52 O ATOM 1021 CB GLU A 58 9.658 -0.059 -9.134 1.00 72.24 C ATOM 1022 CG GLU A 58 10.677 1.059 -9.301 1.00 65.34 C ATOM 1023 CD GLU A 58 11.646 1.152 -8.139 1.00 4.45 C ATOM 1024 OE1 GLU A 58 12.538 0.282 -8.032 1.00 32.33 O ATOM 1025 OE2 GLU A 58 11.527 2.094 -7.330 1.00 72.30 O ATOM 0 H GLU A 58 7.978 1.673 -9.701 1.00 14.43 H new ATOM 0 HA GLU A 58 9.288 -0.347 -11.231 1.00 40.12 H new ATOM 0 HB2 GLU A 58 9.077 0.121 -8.230 1.00 72.24 H new ATOM 0 HB3 GLU A 58 10.185 -1.003 -8.991 1.00 72.24 H new ATOM 0 HG2 GLU A 58 11.237 0.899 -10.222 1.00 65.34 H new ATOM 0 HG3 GLU A 58 10.153 2.009 -9.407 1.00 65.34 H new ATOM 1032 N TYR A 59 6.625 -1.197 -9.553 1.00 72.03 N ATOM 1033 CA TYR A 59 5.684 -2.287 -9.325 1.00 4.11 C ATOM 1034 C TYR A 59 4.945 -2.642 -10.612 1.00 72.35 C ATOM 1035 O TYR A 59 4.706 -3.819 -10.900 1.00 2.42 O ATOM 1036 CB TYR A 59 4.682 -1.914 -8.228 1.00 5.14 C ATOM 1037 CG TYR A 59 3.829 -3.075 -7.766 1.00 15.23 C ATOM 1038 CD1 TYR A 59 4.296 -3.956 -6.801 1.00 13.43 C ATOM 1039 CD2 TYR A 59 2.563 -3.291 -8.297 1.00 65.44 C ATOM 1040 CE1 TYR A 59 3.527 -5.023 -6.378 1.00 64.20 C ATOM 1041 CE2 TYR A 59 1.789 -4.357 -7.882 1.00 21.32 C ATOM 1042 CZ TYR A 59 2.275 -5.218 -6.922 1.00 61.44 C ATOM 1043 OH TYR A 59 1.512 -6.286 -6.517 1.00 31.24 O ATOM 0 H TYR A 59 6.305 -0.285 -9.227 1.00 72.03 H new ATOM 0 HA TYR A 59 6.251 -3.159 -8.999 1.00 4.11 H new ATOM 0 HB2 TYR A 59 5.225 -1.511 -7.373 1.00 5.14 H new ATOM 0 HB3 TYR A 59 4.032 -1.120 -8.596 1.00 5.14 H new ATOM 0 HD1 TYR A 59 5.276 -3.805 -6.374 1.00 13.43 H new ATOM 0 HD2 TYR A 59 2.178 -2.615 -9.046 1.00 65.44 H new ATOM 0 HE1 TYR A 59 3.904 -5.700 -5.626 1.00 64.20 H new ATOM 0 HE2 TYR A 59 0.809 -4.515 -8.307 1.00 21.32 H new ATOM 0 HH TYR A 59 0.673 -5.960 -6.129 1.00 31.24 H new ATOM 1053 N GLY A 60 4.598 -1.622 -11.386 1.00 24.23 N ATOM 1054 CA GLY A 60 3.839 -1.826 -12.604 1.00 15.21 C ATOM 1055 C GLY A 60 4.640 -2.509 -13.691 1.00 53.34 C ATOM 1056 O GLY A 60 4.079 -3.179 -14.553 1.00 33.02 O ATOM 0 H GLY A 60 4.831 -0.649 -11.189 1.00 24.23 H new ATOM 0 HA2 GLY A 60 2.956 -2.425 -12.380 1.00 15.21 H new ATOM 0 HA3 GLY A 60 3.486 -0.863 -12.971 1.00 15.21 H new ATOM 1060 N LEU A 61 5.954 -2.351 -13.653 1.00 63.20 N ATOM 1061 CA LEU A 61 6.821 -2.952 -14.661 1.00 31.45 C ATOM 1062 C LEU A 61 7.039 -4.435 -14.391 1.00 43.12 C ATOM 1063 O LEU A 61 7.624 -5.142 -15.215 1.00 70.52 O ATOM 1064 CB LEU A 61 8.173 -2.235 -14.698 1.00 23.55 C ATOM 1065 CG LEU A 61 8.119 -0.745 -15.043 1.00 15.34 C ATOM 1066 CD1 LEU A 61 9.515 -0.145 -15.025 1.00 24.50 C ATOM 1067 CD2 LEU A 61 7.464 -0.533 -16.398 1.00 12.52 C ATOM 0 H LEU A 61 6.445 -1.814 -12.938 1.00 63.20 H new ATOM 0 HA LEU A 61 6.327 -2.845 -15.627 1.00 31.45 H new ATOM 0 HB2 LEU A 61 8.651 -2.348 -13.725 1.00 23.55 H new ATOM 0 HB3 LEU A 61 8.811 -2.736 -15.426 1.00 23.55 H new ATOM 0 HG LEU A 61 7.516 -0.239 -14.289 1.00 15.34 H new ATOM 0 HD11 LEU A 61 9.459 0.915 -15.272 1.00 24.50 H new ATOM 0 HD12 LEU A 61 9.949 -0.263 -14.032 1.00 24.50 H new ATOM 0 HD13 LEU A 61 10.140 -0.656 -15.757 1.00 24.50 H new ATOM 0 HD21 LEU A 61 7.435 0.533 -16.625 1.00 12.52 H new ATOM 0 HD22 LEU A 61 8.039 -1.052 -17.165 1.00 12.52 H new ATOM 0 HD23 LEU A 61 6.448 -0.927 -16.377 1.00 12.52 H new ATOM 1079 N THR A 62 6.570 -4.907 -13.246 1.00 71.43 N ATOM 1080 CA THR A 62 6.794 -6.287 -12.849 1.00 4.44 C ATOM 1081 C THR A 62 5.486 -7.015 -12.558 1.00 74.13 C ATOM 1082 O THR A 62 5.492 -8.173 -12.136 1.00 42.31 O ATOM 1083 CB THR A 62 7.700 -6.348 -11.603 1.00 22.23 C ATOM 1084 OG1 THR A 62 7.207 -5.452 -10.592 1.00 13.13 O ATOM 1085 CG2 THR A 62 9.133 -5.981 -11.955 1.00 14.43 C ATOM 0 H THR A 62 6.033 -4.355 -12.577 1.00 71.43 H new ATOM 0 HA THR A 62 7.283 -6.786 -13.686 1.00 4.44 H new ATOM 0 HB THR A 62 7.686 -7.369 -11.223 1.00 22.23 H new ATOM 0 HG1 THR A 62 6.348 -5.781 -10.255 1.00 13.13 H new ATOM 0 HG21 THR A 62 9.752 -6.032 -11.059 1.00 14.43 H new ATOM 0 HG22 THR A 62 9.515 -6.679 -12.700 1.00 14.43 H new ATOM 0 HG23 THR A 62 9.161 -4.969 -12.359 1.00 14.43 H new ATOM 1093 N HIS A 63 4.363 -6.343 -12.784 1.00 74.11 N ATOM 1094 CA HIS A 63 3.060 -6.902 -12.430 1.00 21.34 C ATOM 1095 C HIS A 63 2.001 -6.523 -13.458 1.00 31.04 C ATOM 1096 O HIS A 63 2.210 -5.629 -14.273 1.00 62.42 O ATOM 1097 CB HIS A 63 2.627 -6.422 -11.037 1.00 74.15 C ATOM 1098 CG HIS A 63 3.430 -7.016 -9.917 1.00 72.44 C ATOM 1099 ND1 HIS A 63 4.670 -6.540 -9.539 1.00 45.34 N ATOM 1100 CD2 HIS A 63 3.169 -8.063 -9.098 1.00 42.53 C ATOM 1101 CE1 HIS A 63 5.132 -7.270 -8.540 1.00 15.42 C ATOM 1102 NE2 HIS A 63 4.241 -8.197 -8.257 1.00 52.20 N ATOM 0 H HIS A 63 4.326 -5.416 -13.208 1.00 74.11 H new ATOM 0 HA HIS A 63 3.158 -7.988 -12.419 1.00 21.34 H new ATOM 0 HB2 HIS A 63 2.709 -5.336 -10.995 1.00 74.15 H new ATOM 0 HB3 HIS A 63 1.576 -6.668 -10.888 1.00 74.15 H new ATOM 0 HD2 HIS A 63 2.281 -8.677 -9.107 1.00 42.53 H new ATOM 0 HE1 HIS A 63 6.079 -7.130 -8.040 1.00 15.42 H new ATOM 0 HE2 HIS A 63 4.335 -8.903 -7.527 1.00 52.20 H new ATOM 1111 N SER A 64 0.865 -7.213 -13.414 1.00 73.22 N ATOM 1112 CA SER A 64 -0.245 -6.920 -14.310 1.00 10.44 C ATOM 1113 C SER A 64 -0.913 -5.600 -13.937 1.00 2.34 C ATOM 1114 O SER A 64 -0.785 -5.123 -12.806 1.00 42.24 O ATOM 1115 CB SER A 64 -1.271 -8.055 -14.270 1.00 42.22 C ATOM 1116 OG SER A 64 -0.724 -9.259 -14.778 1.00 13.44 O ATOM 0 H SER A 64 0.690 -7.980 -12.765 1.00 73.22 H new ATOM 0 HA SER A 64 0.150 -6.831 -15.322 1.00 10.44 H new ATOM 0 HB2 SER A 64 -1.607 -8.209 -13.244 1.00 42.22 H new ATOM 0 HB3 SER A 64 -2.148 -7.776 -14.854 1.00 42.22 H new ATOM 0 HG SER A 64 -1.400 -9.967 -14.739 1.00 13.44 H new ATOM 1122 N TYR A 65 -1.637 -5.021 -14.894 1.00 34.31 N ATOM 1123 CA TYR A 65 -2.304 -3.743 -14.687 1.00 15.32 C ATOM 1124 C TYR A 65 -3.279 -3.804 -13.516 1.00 54.13 C ATOM 1125 O TYR A 65 -3.360 -2.873 -12.722 1.00 23.04 O ATOM 1126 CB TYR A 65 -3.048 -3.308 -15.953 1.00 2.43 C ATOM 1127 CG TYR A 65 -3.809 -2.009 -15.783 1.00 54.20 C ATOM 1128 CD1 TYR A 65 -3.160 -0.786 -15.899 1.00 54.31 C ATOM 1129 CD2 TYR A 65 -5.172 -2.004 -15.490 1.00 1.15 C ATOM 1130 CE1 TYR A 65 -3.842 0.404 -15.732 1.00 21.42 C ATOM 1131 CE2 TYR A 65 -5.859 -0.815 -15.325 1.00 74.33 C ATOM 1132 CZ TYR A 65 -5.191 0.385 -15.447 1.00 50.21 C ATOM 1133 OH TYR A 65 -5.876 1.568 -15.270 1.00 63.11 O ATOM 0 H TYR A 65 -1.775 -5.421 -15.822 1.00 34.31 H new ATOM 0 HA TYR A 65 -1.532 -3.010 -14.454 1.00 15.32 H new ATOM 0 HB2 TYR A 65 -2.332 -3.198 -16.767 1.00 2.43 H new ATOM 0 HB3 TYR A 65 -3.745 -4.094 -16.245 1.00 2.43 H new ATOM 0 HD1 TYR A 65 -2.104 -0.765 -16.124 1.00 54.31 H new ATOM 0 HD2 TYR A 65 -5.699 -2.942 -15.390 1.00 1.15 H new ATOM 0 HE1 TYR A 65 -3.321 1.345 -15.824 1.00 21.42 H new ATOM 0 HE2 TYR A 65 -6.916 -0.826 -15.101 1.00 74.33 H new ATOM 0 HH TYR A 65 -6.817 1.375 -15.077 1.00 63.11 H new ATOM 1143 N GLU A 66 -4.022 -4.894 -13.404 1.00 52.22 N ATOM 1144 CA GLU A 66 -5.008 -4.997 -12.344 1.00 32.03 C ATOM 1145 C GLU A 66 -4.325 -5.169 -10.993 1.00 41.20 C ATOM 1146 O GLU A 66 -4.829 -4.701 -9.977 1.00 33.14 O ATOM 1147 CB GLU A 66 -5.984 -6.146 -12.591 1.00 2.22 C ATOM 1148 CG GLU A 66 -7.155 -6.124 -11.627 1.00 61.21 C ATOM 1149 CD GLU A 66 -8.174 -7.203 -11.902 1.00 21.23 C ATOM 1150 OE1 GLU A 66 -7.923 -8.373 -11.541 1.00 62.43 O ATOM 1151 OE2 GLU A 66 -9.236 -6.879 -12.467 1.00 15.52 O ATOM 0 H GLU A 66 -3.963 -5.704 -14.021 1.00 52.22 H new ATOM 0 HA GLU A 66 -5.579 -4.069 -12.338 1.00 32.03 H new ATOM 0 HB2 GLU A 66 -6.357 -6.089 -13.614 1.00 2.22 H new ATOM 0 HB3 GLU A 66 -5.456 -7.095 -12.496 1.00 2.22 H new ATOM 0 HG2 GLU A 66 -6.781 -6.238 -10.609 1.00 61.21 H new ATOM 0 HG3 GLU A 66 -7.643 -5.151 -11.681 1.00 61.21 H new ATOM 1158 N THR A 67 -3.167 -5.817 -10.995 1.00 14.14 N ATOM 1159 CA THR A 67 -2.413 -6.033 -9.771 1.00 42.00 C ATOM 1160 C THR A 67 -2.016 -4.695 -9.149 1.00 2.11 C ATOM 1161 O THR A 67 -2.192 -4.475 -7.951 1.00 12.15 O ATOM 1162 CB THR A 67 -1.153 -6.866 -10.055 1.00 50.21 C ATOM 1163 OG1 THR A 67 -1.477 -7.929 -10.959 1.00 65.45 O ATOM 1164 CG2 THR A 67 -0.590 -7.452 -8.771 1.00 71.12 C ATOM 0 H THR A 67 -2.731 -6.202 -11.833 1.00 14.14 H new ATOM 0 HA THR A 67 -3.047 -6.578 -9.071 1.00 42.00 H new ATOM 0 HB THR A 67 -0.401 -6.214 -10.499 1.00 50.21 H new ATOM 0 HG1 THR A 67 -0.673 -8.459 -11.142 1.00 65.45 H new ATOM 0 HG21 THR A 67 0.301 -8.037 -8.998 1.00 71.12 H new ATOM 0 HG22 THR A 67 -0.329 -6.645 -8.086 1.00 71.12 H new ATOM 0 HG23 THR A 67 -1.337 -8.095 -8.306 1.00 71.12 H new ATOM 1172 N ILE A 68 -1.501 -3.795 -9.978 1.00 70.35 N ATOM 1173 CA ILE A 68 -1.131 -2.464 -9.518 1.00 24.25 C ATOM 1174 C ILE A 68 -2.381 -1.609 -9.272 1.00 0.41 C ATOM 1175 O ILE A 68 -2.400 -0.769 -8.374 1.00 41.20 O ATOM 1176 CB ILE A 68 -0.157 -1.756 -10.499 1.00 10.41 C ATOM 1177 CG1 ILE A 68 0.305 -0.413 -9.922 1.00 22.25 C ATOM 1178 CG2 ILE A 68 -0.791 -1.553 -11.868 1.00 11.45 C ATOM 1179 CD1 ILE A 68 1.297 0.323 -10.801 1.00 1.10 C ATOM 0 H ILE A 68 -1.331 -3.963 -10.970 1.00 70.35 H new ATOM 0 HA ILE A 68 -0.601 -2.583 -8.573 1.00 24.25 H new ATOM 0 HB ILE A 68 0.711 -2.403 -10.626 1.00 10.41 H new ATOM 0 HG12 ILE A 68 -0.566 0.222 -9.763 1.00 22.25 H new ATOM 0 HG13 ILE A 68 0.757 -0.584 -8.945 1.00 22.25 H new ATOM 0 HG21 ILE A 68 -0.081 -1.055 -12.528 1.00 11.45 H new ATOM 0 HG22 ILE A 68 -1.062 -2.521 -12.291 1.00 11.45 H new ATOM 0 HG23 ILE A 68 -1.685 -0.938 -11.767 1.00 11.45 H new ATOM 0 HD11 ILE A 68 1.576 1.263 -10.326 1.00 1.10 H new ATOM 0 HD12 ILE A 68 2.186 -0.292 -10.940 1.00 1.10 H new ATOM 0 HD13 ILE A 68 0.842 0.527 -11.770 1.00 1.10 H new ATOM 1191 N ARG A 69 -3.426 -1.831 -10.069 1.00 71.34 N ATOM 1192 CA ARG A 69 -4.682 -1.096 -9.914 1.00 51.22 C ATOM 1193 C ARG A 69 -5.319 -1.374 -8.553 1.00 50.12 C ATOM 1194 O ARG A 69 -5.769 -0.453 -7.868 1.00 65.30 O ATOM 1195 CB ARG A 69 -5.670 -1.463 -11.028 1.00 60.14 C ATOM 1196 CG ARG A 69 -6.970 -0.673 -10.961 1.00 45.51 C ATOM 1197 CD ARG A 69 -7.959 -1.090 -12.038 1.00 51.55 C ATOM 1198 NE ARG A 69 -8.409 -2.473 -11.876 1.00 32.32 N ATOM 1199 CZ ARG A 69 -9.603 -2.813 -11.383 1.00 20.53 C ATOM 1200 NH1 ARG A 69 -10.440 -1.874 -10.944 1.00 32.12 N ATOM 1201 NH2 ARG A 69 -9.958 -4.093 -11.317 1.00 42.43 N ATOM 0 H ARG A 69 -3.428 -2.513 -10.828 1.00 71.34 H new ATOM 0 HA ARG A 69 -4.449 -0.033 -9.981 1.00 51.22 H new ATOM 0 HB2 ARG A 69 -5.197 -1.291 -11.995 1.00 60.14 H new ATOM 0 HB3 ARG A 69 -5.896 -2.528 -10.968 1.00 60.14 H new ATOM 0 HG2 ARG A 69 -7.426 -0.811 -9.980 1.00 45.51 H new ATOM 0 HG3 ARG A 69 -6.752 0.390 -11.064 1.00 45.51 H new ATOM 0 HD2 ARG A 69 -8.822 -0.425 -12.013 1.00 51.55 H new ATOM 0 HD3 ARG A 69 -7.496 -0.974 -13.018 1.00 51.55 H new ATOM 0 HE ARG A 69 -7.774 -3.221 -12.156 1.00 32.32 H new ATOM 0 HH11 ARG A 69 -10.170 -0.891 -10.984 1.00 32.12 H new ATOM 0 HH12 ARG A 69 -11.351 -2.138 -10.568 1.00 32.12 H new ATOM 0 HH21 ARG A 69 -9.318 -4.817 -11.643 1.00 42.43 H new ATOM 0 HH22 ARG A 69 -10.870 -4.350 -10.940 1.00 42.43 H new ATOM 1215 N LYS A 70 -5.367 -2.644 -8.161 1.00 65.04 N ATOM 1216 CA LYS A 70 -5.943 -3.012 -6.873 1.00 31.55 C ATOM 1217 C LYS A 70 -5.036 -2.537 -5.742 1.00 64.30 C ATOM 1218 O LYS A 70 -5.509 -2.141 -4.680 1.00 64.25 O ATOM 1219 CB LYS A 70 -6.206 -4.525 -6.794 1.00 11.51 C ATOM 1220 CG LYS A 70 -4.961 -5.395 -6.890 1.00 35.45 C ATOM 1221 CD LYS A 70 -5.282 -6.829 -7.316 1.00 4.45 C ATOM 1222 CE LYS A 70 -5.992 -7.633 -6.230 1.00 74.03 C ATOM 1223 NZ LYS A 70 -7.377 -7.159 -5.970 1.00 22.44 N ATOM 0 H LYS A 70 -5.017 -3.428 -8.711 1.00 65.04 H new ATOM 0 HA LYS A 70 -6.908 -2.517 -6.766 1.00 31.55 H new ATOM 0 HB2 LYS A 70 -6.713 -4.743 -5.854 1.00 11.51 H new ATOM 0 HB3 LYS A 70 -6.889 -4.803 -7.596 1.00 11.51 H new ATOM 0 HG2 LYS A 70 -4.267 -4.953 -7.605 1.00 35.45 H new ATOM 0 HG3 LYS A 70 -4.457 -5.410 -5.924 1.00 35.45 H new ATOM 0 HD2 LYS A 70 -5.907 -6.805 -8.209 1.00 4.45 H new ATOM 0 HD3 LYS A 70 -4.356 -7.336 -7.588 1.00 4.45 H new ATOM 0 HE2 LYS A 70 -6.022 -8.682 -6.523 1.00 74.03 H new ATOM 0 HE3 LYS A 70 -5.415 -7.576 -5.307 1.00 74.03 H new ATOM 0 HZ1 LYS A 70 -8.011 -7.977 -5.872 1.00 22.44 H new ATOM 0 HZ2 LYS A 70 -7.394 -6.601 -5.092 1.00 22.44 H new ATOM 0 HZ3 LYS A 70 -7.696 -6.567 -6.763 1.00 22.44 H new ATOM 1237 N LEU A 71 -3.732 -2.558 -5.997 1.00 64.31 N ATOM 1238 CA LEU A 71 -2.746 -1.979 -5.089 1.00 42.34 C ATOM 1239 C LEU A 71 -3.057 -0.507 -4.825 1.00 24.41 C ATOM 1240 O LEU A 71 -3.095 -0.063 -3.674 1.00 34.21 O ATOM 1241 CB LEU A 71 -1.353 -2.118 -5.707 1.00 2.33 C ATOM 1242 CG LEU A 71 -0.262 -1.245 -5.093 1.00 4.53 C ATOM 1243 CD1 LEU A 71 0.082 -1.712 -3.689 1.00 74.53 C ATOM 1244 CD2 LEU A 71 0.969 -1.248 -5.983 1.00 22.24 C ATOM 0 H LEU A 71 -3.329 -2.975 -6.836 1.00 64.31 H new ATOM 0 HA LEU A 71 -2.781 -2.510 -4.138 1.00 42.34 H new ATOM 0 HB2 LEU A 71 -1.044 -3.160 -5.629 1.00 2.33 H new ATOM 0 HB3 LEU A 71 -1.423 -1.885 -6.770 1.00 2.33 H new ATOM 0 HG LEU A 71 -0.635 -0.224 -5.019 1.00 4.53 H new ATOM 0 HD11 LEU A 71 0.862 -1.073 -3.274 1.00 74.53 H new ATOM 0 HD12 LEU A 71 -0.806 -1.656 -3.059 1.00 74.53 H new ATOM 0 HD13 LEU A 71 0.437 -2.742 -3.725 1.00 74.53 H new ATOM 0 HD21 LEU A 71 1.742 -0.622 -5.537 1.00 22.24 H new ATOM 0 HD22 LEU A 71 1.341 -2.267 -6.086 1.00 22.24 H new ATOM 0 HD23 LEU A 71 0.708 -0.856 -6.966 1.00 22.24 H new ATOM 1256 N ASN A 72 -3.281 0.232 -5.906 1.00 52.44 N ATOM 1257 CA ASN A 72 -3.625 1.650 -5.838 1.00 63.14 C ATOM 1258 C ASN A 72 -4.852 1.872 -4.955 1.00 61.12 C ATOM 1259 O ASN A 72 -4.900 2.810 -4.158 1.00 30.54 O ATOM 1260 CB ASN A 72 -3.896 2.177 -7.254 1.00 63.11 C ATOM 1261 CG ASN A 72 -4.178 3.668 -7.302 1.00 4.24 C ATOM 1262 OD1 ASN A 72 -3.636 4.447 -6.517 1.00 4.22 O ATOM 1263 ND2 ASN A 72 -5.026 4.078 -8.235 1.00 32.14 N ATOM 0 H ASN A 72 -3.229 -0.135 -6.856 1.00 52.44 H new ATOM 0 HA ASN A 72 -2.788 2.192 -5.398 1.00 63.14 H new ATOM 0 HB2 ASN A 72 -3.035 1.958 -7.886 1.00 63.11 H new ATOM 0 HB3 ASN A 72 -4.746 1.641 -7.676 1.00 63.11 H new ATOM 0 HD21 ASN A 72 -5.250 5.070 -8.321 1.00 32.14 H new ATOM 0 HD22 ASN A 72 -5.455 3.402 -8.867 1.00 32.14 H new ATOM 1270 N SER A 73 -5.827 0.983 -5.086 1.00 24.31 N ATOM 1271 CA SER A 73 -7.062 1.075 -4.320 1.00 33.51 C ATOM 1272 C SER A 73 -6.791 0.899 -2.823 1.00 64.21 C ATOM 1273 O SER A 73 -7.381 1.591 -1.989 1.00 4.24 O ATOM 1274 CB SER A 73 -8.054 0.015 -4.810 1.00 70.23 C ATOM 1275 OG SER A 73 -9.344 0.205 -4.250 1.00 44.21 O ATOM 0 H SER A 73 -5.786 0.185 -5.720 1.00 24.31 H new ATOM 0 HA SER A 73 -7.492 2.065 -4.470 1.00 33.51 H new ATOM 0 HB2 SER A 73 -8.120 0.053 -5.897 1.00 70.23 H new ATOM 0 HB3 SER A 73 -7.686 -0.977 -4.548 1.00 70.23 H new ATOM 0 HG SER A 73 -9.951 -0.487 -4.585 1.00 44.21 H new ATOM 1281 N TYR A 74 -5.875 -0.009 -2.488 1.00 23.41 N ATOM 1282 CA TYR A 74 -5.565 -0.300 -1.091 1.00 73.22 C ATOM 1283 C TYR A 74 -4.901 0.896 -0.426 1.00 51.42 C ATOM 1284 O TYR A 74 -5.305 1.321 0.654 1.00 21.03 O ATOM 1285 CB TYR A 74 -4.639 -1.516 -0.967 1.00 13.31 C ATOM 1286 CG TYR A 74 -5.153 -2.767 -1.635 1.00 5.01 C ATOM 1287 CD1 TYR A 74 -6.515 -3.015 -1.753 1.00 33.23 C ATOM 1288 CD2 TYR A 74 -4.267 -3.707 -2.145 1.00 1.41 C ATOM 1289 CE1 TYR A 74 -6.977 -4.161 -2.368 1.00 1.14 C ATOM 1290 CE2 TYR A 74 -4.720 -4.855 -2.759 1.00 52.13 C ATOM 1291 CZ TYR A 74 -6.076 -5.077 -2.869 1.00 45.42 C ATOM 1292 OH TYR A 74 -6.537 -6.216 -3.485 1.00 42.30 O ATOM 0 H TYR A 74 -5.337 -0.553 -3.163 1.00 23.41 H new ATOM 0 HA TYR A 74 -6.509 -0.519 -0.591 1.00 73.22 H new ATOM 0 HB2 TYR A 74 -3.669 -1.263 -1.396 1.00 13.31 H new ATOM 0 HB3 TYR A 74 -4.475 -1.725 0.090 1.00 13.31 H new ATOM 0 HD1 TYR A 74 -7.222 -2.301 -1.358 1.00 33.23 H new ATOM 0 HD2 TYR A 74 -3.204 -3.536 -2.059 1.00 1.41 H new ATOM 0 HE1 TYR A 74 -8.038 -4.339 -2.456 1.00 1.14 H new ATOM 0 HE2 TYR A 74 -4.017 -5.575 -3.151 1.00 52.13 H new ATOM 0 HH TYR A 74 -7.486 -6.340 -3.275 1.00 42.30 H new ATOM 1302 N ILE A 75 -3.888 1.441 -1.086 1.00 4.23 N ATOM 1303 CA ILE A 75 -3.127 2.555 -0.538 1.00 11.43 C ATOM 1304 C ILE A 75 -3.989 3.815 -0.440 1.00 11.01 C ATOM 1305 O ILE A 75 -3.864 4.593 0.509 1.00 70.25 O ATOM 1306 CB ILE A 75 -1.853 2.819 -1.374 1.00 23.40 C ATOM 1307 CG1 ILE A 75 -0.958 1.574 -1.335 1.00 41.11 C ATOM 1308 CG2 ILE A 75 -1.101 4.039 -0.860 1.00 52.00 C ATOM 1309 CD1 ILE A 75 0.329 1.707 -2.121 1.00 44.32 C ATOM 0 H ILE A 75 -3.574 1.128 -2.005 1.00 4.23 H new ATOM 0 HA ILE A 75 -2.817 2.284 0.471 1.00 11.43 H new ATOM 0 HB ILE A 75 -2.142 3.026 -2.404 1.00 23.40 H new ATOM 0 HG12 ILE A 75 -0.714 1.348 -0.297 1.00 41.11 H new ATOM 0 HG13 ILE A 75 -1.520 0.724 -1.722 1.00 41.11 H new ATOM 0 HG21 ILE A 75 -0.210 4.200 -1.467 1.00 52.00 H new ATOM 0 HG22 ILE A 75 -1.745 4.916 -0.922 1.00 52.00 H new ATOM 0 HG23 ILE A 75 -0.809 3.876 0.177 1.00 52.00 H new ATOM 0 HD11 ILE A 75 0.902 0.783 -2.040 1.00 44.32 H new ATOM 0 HD12 ILE A 75 0.097 1.900 -3.168 1.00 44.32 H new ATOM 0 HD13 ILE A 75 0.916 2.534 -1.721 1.00 44.32 H new ATOM 1321 N ARG A 76 -4.882 4.001 -1.406 1.00 34.11 N ATOM 1322 CA ARG A 76 -5.826 5.112 -1.358 1.00 70.42 C ATOM 1323 C ARG A 76 -6.763 4.972 -0.164 1.00 11.24 C ATOM 1324 O ARG A 76 -7.051 5.950 0.521 1.00 4.05 O ATOM 1325 CB ARG A 76 -6.625 5.210 -2.663 1.00 72.30 C ATOM 1326 CG ARG A 76 -5.843 5.871 -3.784 1.00 75.24 C ATOM 1327 CD ARG A 76 -6.647 5.987 -5.067 1.00 22.52 C ATOM 1328 NE ARG A 76 -5.976 6.861 -6.034 1.00 1.25 N ATOM 1329 CZ ARG A 76 -6.403 7.080 -7.274 1.00 3.34 C ATOM 1330 NH1 ARG A 76 -7.446 6.409 -7.755 1.00 52.15 N ATOM 1331 NH2 ARG A 76 -5.763 7.952 -8.043 1.00 42.20 N ATOM 0 H ARG A 76 -4.972 3.402 -2.226 1.00 34.11 H new ATOM 0 HA ARG A 76 -5.256 6.033 -1.241 1.00 70.42 H new ATOM 0 HB2 ARG A 76 -6.925 4.210 -2.976 1.00 72.30 H new ATOM 0 HB3 ARG A 76 -7.540 5.775 -2.482 1.00 72.30 H new ATOM 0 HG2 ARG A 76 -5.528 6.865 -3.466 1.00 75.24 H new ATOM 0 HG3 ARG A 76 -4.937 5.297 -3.978 1.00 75.24 H new ATOM 0 HD2 ARG A 76 -6.787 4.998 -5.503 1.00 22.52 H new ATOM 0 HD3 ARG A 76 -7.639 6.380 -4.844 1.00 22.52 H new ATOM 0 HE ARG A 76 -5.123 7.334 -5.735 1.00 1.25 H new ATOM 0 HH11 ARG A 76 -7.923 5.722 -7.172 1.00 52.15 H new ATOM 0 HH12 ARG A 76 -7.769 6.582 -8.707 1.00 52.15 H new ATOM 0 HH21 ARG A 76 -4.949 8.449 -7.682 1.00 42.20 H new ATOM 0 HH22 ARG A 76 -6.085 8.125 -8.995 1.00 42.20 H new ATOM 1345 N ASN A 77 -7.210 3.748 0.098 1.00 33.32 N ATOM 1346 CA ASN A 77 -8.088 3.478 1.233 1.00 51.01 C ATOM 1347 C ASN A 77 -7.328 3.649 2.548 1.00 43.23 C ATOM 1348 O ASN A 77 -7.849 4.218 3.505 1.00 11.53 O ATOM 1349 CB ASN A 77 -8.675 2.062 1.125 1.00 32.44 C ATOM 1350 CG ASN A 77 -9.700 1.740 2.203 1.00 50.00 C ATOM 1351 OD1 ASN A 77 -9.857 0.579 2.594 1.00 61.13 O ATOM 1352 ND2 ASN A 77 -10.417 2.748 2.677 1.00 44.11 N ATOM 0 H ASN A 77 -6.979 2.926 -0.460 1.00 33.32 H new ATOM 0 HA ASN A 77 -8.910 4.194 1.218 1.00 51.01 H new ATOM 0 HB2 ASN A 77 -9.141 1.945 0.147 1.00 32.44 H new ATOM 0 HB3 ASN A 77 -7.863 1.337 1.180 1.00 32.44 H new ATOM 0 HD21 ASN A 77 -11.127 2.578 3.389 1.00 44.11 H new ATOM 0 HD22 ASN A 77 -10.259 3.694 2.330 1.00 44.11 H new ATOM 1359 N ALA A 78 -6.084 3.183 2.573 1.00 62.15 N ATOM 1360 CA ALA A 78 -5.246 3.268 3.767 1.00 24.53 C ATOM 1361 C ALA A 78 -4.993 4.716 4.173 1.00 12.12 C ATOM 1362 O ALA A 78 -5.081 5.064 5.353 1.00 64.44 O ATOM 1363 CB ALA A 78 -3.924 2.551 3.536 1.00 72.24 C ATOM 0 H ALA A 78 -5.630 2.739 1.775 1.00 62.15 H new ATOM 0 HA ALA A 78 -5.781 2.781 4.582 1.00 24.53 H new ATOM 0 HB1 ALA A 78 -3.310 2.622 4.434 1.00 72.24 H new ATOM 0 HB2 ALA A 78 -4.114 1.502 3.309 1.00 72.24 H new ATOM 0 HB3 ALA A 78 -3.400 3.014 2.700 1.00 72.24 H new ATOM 1369 N PHE A 79 -4.668 5.557 3.197 1.00 2.41 N ATOM 1370 CA PHE A 79 -4.430 6.971 3.456 1.00 33.13 C ATOM 1371 C PHE A 79 -5.732 7.714 3.713 1.00 61.20 C ATOM 1372 O PHE A 79 -5.758 8.686 4.468 1.00 62.14 O ATOM 1373 CB PHE A 79 -3.664 7.628 2.308 1.00 60.42 C ATOM 1374 CG PHE A 79 -2.175 7.551 2.478 1.00 42.31 C ATOM 1375 CD1 PHE A 79 -1.531 8.380 3.385 1.00 35.44 C ATOM 1376 CD2 PHE A 79 -1.419 6.651 1.746 1.00 61.41 C ATOM 1377 CE1 PHE A 79 -0.163 8.313 3.557 1.00 41.41 C ATOM 1378 CE2 PHE A 79 -0.049 6.580 1.915 1.00 74.24 C ATOM 1379 CZ PHE A 79 0.580 7.411 2.821 1.00 73.32 C ATOM 0 H PHE A 79 -4.564 5.283 2.220 1.00 2.41 H new ATOM 0 HA PHE A 79 -3.817 7.033 4.355 1.00 33.13 H new ATOM 0 HB2 PHE A 79 -3.943 7.147 1.370 1.00 60.42 H new ATOM 0 HB3 PHE A 79 -3.962 8.674 2.231 1.00 60.42 H new ATOM 0 HD1 PHE A 79 -2.107 9.087 3.964 1.00 35.44 H new ATOM 0 HD2 PHE A 79 -1.905 5.998 1.036 1.00 61.41 H new ATOM 0 HE1 PHE A 79 0.326 8.965 4.266 1.00 41.41 H new ATOM 0 HE2 PHE A 79 0.530 5.874 1.338 1.00 74.24 H new ATOM 0 HZ PHE A 79 1.650 7.356 2.954 1.00 73.32 H new ATOM 1389 N ASP A 80 -6.808 7.262 3.081 1.00 30.11 N ATOM 1390 CA ASP A 80 -8.120 7.861 3.297 1.00 65.45 C ATOM 1391 C ASP A 80 -8.541 7.674 4.749 1.00 10.52 C ATOM 1392 O ASP A 80 -9.117 8.574 5.356 1.00 41.43 O ATOM 1393 CB ASP A 80 -9.159 7.240 2.363 1.00 24.45 C ATOM 1394 CG ASP A 80 -10.470 7.998 2.363 1.00 73.05 C ATOM 1395 OD1 ASP A 80 -10.545 9.058 1.706 1.00 34.31 O ATOM 1396 OD2 ASP A 80 -11.443 7.519 2.985 1.00 32.02 O ATOM 0 H ASP A 80 -6.799 6.487 2.418 1.00 30.11 H new ATOM 0 HA ASP A 80 -8.056 8.927 3.077 1.00 65.45 H new ATOM 0 HB2 ASP A 80 -8.760 7.212 1.349 1.00 24.45 H new ATOM 0 HB3 ASP A 80 -9.340 6.208 2.663 1.00 24.45 H new ATOM 1401 N ASP A 81 -8.243 6.502 5.308 1.00 2.24 N ATOM 1402 CA ASP A 81 -8.450 6.271 6.736 1.00 33.01 C ATOM 1403 C ASP A 81 -7.571 7.207 7.554 1.00 70.40 C ATOM 1404 O ASP A 81 -8.041 7.858 8.483 1.00 53.03 O ATOM 1405 CB ASP A 81 -8.142 4.822 7.132 1.00 25.43 C ATOM 1406 CG ASP A 81 -9.315 3.882 6.926 1.00 44.43 C ATOM 1407 OD1 ASP A 81 -10.382 4.104 7.540 1.00 2.33 O ATOM 1408 OD2 ASP A 81 -9.167 2.902 6.167 1.00 4.13 O ATOM 0 H ASP A 81 -7.861 5.705 4.799 1.00 2.24 H new ATOM 0 HA ASP A 81 -9.502 6.468 6.944 1.00 33.01 H new ATOM 0 HB2 ASP A 81 -7.293 4.466 6.549 1.00 25.43 H new ATOM 0 HB3 ASP A 81 -7.843 4.795 8.180 1.00 25.43 H new ATOM 1413 N ALA A 82 -6.296 7.284 7.185 1.00 21.42 N ATOM 1414 CA ALA A 82 -5.326 8.123 7.888 1.00 50.54 C ATOM 1415 C ALA A 82 -5.789 9.576 7.954 1.00 33.13 C ATOM 1416 O ALA A 82 -5.794 10.191 9.020 1.00 42.50 O ATOM 1417 CB ALA A 82 -3.967 8.035 7.210 1.00 51.42 C ATOM 0 H ALA A 82 -5.906 6.770 6.395 1.00 21.42 H new ATOM 0 HA ALA A 82 -5.241 7.752 8.910 1.00 50.54 H new ATOM 0 HB1 ALA A 82 -3.253 8.664 7.742 1.00 51.42 H new ATOM 0 HB2 ALA A 82 -3.620 7.002 7.223 1.00 51.42 H new ATOM 0 HB3 ALA A 82 -4.052 8.376 6.178 1.00 51.42 H new ATOM 1423 N ILE A 83 -6.194 10.117 6.816 1.00 14.00 N ATOM 1424 CA ILE A 83 -6.623 11.507 6.740 1.00 65.35 C ATOM 1425 C ILE A 83 -7.957 11.702 7.457 1.00 1.11 C ATOM 1426 O ILE A 83 -8.213 12.753 8.048 1.00 21.13 O ATOM 1427 CB ILE A 83 -6.731 11.979 5.273 1.00 11.15 C ATOM 1428 CG1 ILE A 83 -6.876 13.499 5.203 1.00 65.40 C ATOM 1429 CG2 ILE A 83 -7.898 11.306 4.558 1.00 33.04 C ATOM 1430 CD1 ILE A 83 -6.932 14.030 3.789 1.00 63.24 C ATOM 0 H ILE A 83 -6.235 9.614 5.929 1.00 14.00 H new ATOM 0 HA ILE A 83 -5.867 12.114 7.238 1.00 65.35 H new ATOM 0 HB ILE A 83 -5.810 11.690 4.766 1.00 11.15 H new ATOM 0 HG12 ILE A 83 -7.782 13.795 5.731 1.00 65.40 H new ATOM 0 HG13 ILE A 83 -6.038 13.961 5.724 1.00 65.40 H new ATOM 0 HG21 ILE A 83 -7.946 11.660 3.528 1.00 33.04 H new ATOM 0 HG22 ILE A 83 -7.754 10.226 4.564 1.00 33.04 H new ATOM 0 HG23 ILE A 83 -8.829 11.551 5.070 1.00 33.04 H new ATOM 0 HD11 ILE A 83 -7.035 15.115 3.812 1.00 63.24 H new ATOM 0 HD12 ILE A 83 -6.015 13.764 3.264 1.00 63.24 H new ATOM 0 HD13 ILE A 83 -7.786 13.595 3.271 1.00 63.24 H new ATOM 1442 N HIS A 84 -8.792 10.672 7.420 1.00 25.34 N ATOM 1443 CA HIS A 84 -10.106 10.719 8.045 1.00 61.43 C ATOM 1444 C HIS A 84 -9.975 10.659 9.564 1.00 22.24 C ATOM 1445 O HIS A 84 -10.831 11.160 10.290 1.00 14.44 O ATOM 1446 CB HIS A 84 -10.959 9.552 7.537 1.00 11.02 C ATOM 1447 CG HIS A 84 -12.404 9.640 7.901 1.00 10.21 C ATOM 1448 ND1 HIS A 84 -13.112 8.587 8.433 1.00 1.53 N ATOM 1449 CD2 HIS A 84 -13.278 10.661 7.785 1.00 45.42 C ATOM 1450 CE1 HIS A 84 -14.364 8.957 8.630 1.00 55.33 C ATOM 1451 NE2 HIS A 84 -14.493 10.215 8.244 1.00 25.44 N ATOM 0 H HIS A 84 -8.579 9.787 6.960 1.00 25.34 H new ATOM 0 HA HIS A 84 -10.592 11.658 7.781 1.00 61.43 H new ATOM 0 HB2 HIS A 84 -10.873 9.500 6.452 1.00 11.02 H new ATOM 0 HB3 HIS A 84 -10.553 8.621 7.934 1.00 11.02 H new ATOM 0 HD2 HIS A 84 -13.062 11.647 7.402 1.00 45.42 H new ATOM 0 HE1 HIS A 84 -15.149 8.337 9.037 1.00 55.33 H new ATOM 0 HE2 HIS A 84 -15.352 10.763 8.281 1.00 25.44 H new ATOM 1460 N GLU A 85 -8.888 10.066 10.031 1.00 43.31 N ATOM 1461 CA GLU A 85 -8.670 9.889 11.464 1.00 12.54 C ATOM 1462 C GLU A 85 -7.832 11.021 12.042 1.00 51.11 C ATOM 1463 O GLU A 85 -7.543 11.038 13.240 1.00 3.24 O ATOM 1464 CB GLU A 85 -7.983 8.550 11.743 1.00 70.10 C ATOM 1465 CG GLU A 85 -8.825 7.336 11.382 1.00 71.55 C ATOM 1466 CD GLU A 85 -10.129 7.286 12.145 1.00 33.33 C ATOM 1467 OE1 GLU A 85 -11.105 7.917 11.701 1.00 55.22 O ATOM 1468 OE2 GLU A 85 -10.182 6.608 13.193 1.00 40.23 O ATOM 0 H GLU A 85 -8.141 9.698 9.442 1.00 43.31 H new ATOM 0 HA GLU A 85 -9.647 9.901 11.946 1.00 12.54 H new ATOM 0 HB2 GLU A 85 -7.048 8.510 11.185 1.00 70.10 H new ATOM 0 HB3 GLU A 85 -7.725 8.499 12.801 1.00 70.10 H new ATOM 0 HG2 GLU A 85 -9.034 7.349 10.312 1.00 71.55 H new ATOM 0 HG3 GLU A 85 -8.255 6.429 11.585 1.00 71.55 H new ATOM 1475 N GLY A 86 -7.449 11.968 11.196 1.00 41.51 N ATOM 1476 CA GLY A 86 -6.578 13.040 11.636 1.00 3.24 C ATOM 1477 C GLY A 86 -5.197 12.521 11.967 1.00 31.01 C ATOM 1478 O GLY A 86 -4.484 13.085 12.798 1.00 73.21 O ATOM 0 H GLY A 86 -7.725 12.013 10.215 1.00 41.51 H new ATOM 0 HA2 GLY A 86 -6.507 13.798 10.856 1.00 3.24 H new ATOM 0 HA3 GLY A 86 -7.007 13.524 12.513 1.00 3.24 H new ATOM 1482 N TYR A 87 -4.833 11.427 11.319 1.00 43.01 N ATOM 1483 CA TYR A 87 -3.547 10.790 11.531 1.00 51.42 C ATOM 1484 C TYR A 87 -2.477 11.573 10.780 1.00 43.41 C ATOM 1485 O TYR A 87 -1.467 11.989 11.352 1.00 51.32 O ATOM 1486 CB TYR A 87 -3.623 9.345 11.032 1.00 3.44 C ATOM 1487 CG TYR A 87 -2.661 8.389 11.699 1.00 32.11 C ATOM 1488 CD1 TYR A 87 -2.828 8.028 13.028 1.00 73.32 C ATOM 1489 CD2 TYR A 87 -1.603 7.832 10.995 1.00 24.21 C ATOM 1490 CE1 TYR A 87 -1.967 7.137 13.638 1.00 14.21 C ATOM 1491 CE2 TYR A 87 -0.735 6.942 11.599 1.00 34.22 C ATOM 1492 CZ TYR A 87 -0.922 6.599 12.921 1.00 13.42 C ATOM 1493 OH TYR A 87 -0.064 5.711 13.526 1.00 72.00 O ATOM 0 H TYR A 87 -5.422 10.957 10.632 1.00 43.01 H new ATOM 0 HA TYR A 87 -3.290 10.780 12.590 1.00 51.42 H new ATOM 0 HB2 TYR A 87 -4.639 8.978 11.180 1.00 3.44 H new ATOM 0 HB3 TYR A 87 -3.435 9.337 9.958 1.00 3.44 H new ATOM 0 HD1 TYR A 87 -3.644 8.451 13.595 1.00 73.32 H new ATOM 0 HD2 TYR A 87 -1.455 8.098 9.959 1.00 24.21 H new ATOM 0 HE1 TYR A 87 -2.113 6.864 14.673 1.00 14.21 H new ATOM 0 HE2 TYR A 87 0.085 6.518 11.039 1.00 34.22 H new ATOM 0 HH TYR A 87 -0.544 5.214 14.221 1.00 72.00 H new ATOM 1503 N VAL A 88 -2.728 11.780 9.494 1.00 75.43 N ATOM 1504 CA VAL A 88 -1.898 12.629 8.655 1.00 72.20 C ATOM 1505 C VAL A 88 -2.794 13.418 7.717 1.00 33.10 C ATOM 1506 O VAL A 88 -3.967 13.079 7.544 1.00 31.23 O ATOM 1507 CB VAL A 88 -0.871 11.830 7.817 1.00 41.13 C ATOM 1508 CG1 VAL A 88 0.155 11.151 8.709 1.00 50.11 C ATOM 1509 CG2 VAL A 88 -1.569 10.812 6.927 1.00 73.44 C ATOM 0 H VAL A 88 -3.517 11.361 9.003 1.00 75.43 H new ATOM 0 HA VAL A 88 -1.334 13.288 9.315 1.00 72.20 H new ATOM 0 HB VAL A 88 -0.344 12.537 7.176 1.00 41.13 H new ATOM 0 HG11 VAL A 88 0.863 10.597 8.093 1.00 50.11 H new ATOM 0 HG12 VAL A 88 0.689 11.904 9.288 1.00 50.11 H new ATOM 0 HG13 VAL A 88 -0.351 10.464 9.387 1.00 50.11 H new ATOM 0 HG21 VAL A 88 -0.825 10.264 6.349 1.00 73.44 H new ATOM 0 HG22 VAL A 88 -2.134 10.115 7.546 1.00 73.44 H new ATOM 0 HG23 VAL A 88 -2.249 11.327 6.248 1.00 73.44 H new ATOM 1519 N ILE A 89 -2.259 14.467 7.118 1.00 64.32 N ATOM 1520 CA ILE A 89 -3.030 15.274 6.187 1.00 23.32 C ATOM 1521 C ILE A 89 -2.303 15.385 4.842 1.00 12.15 C ATOM 1522 O ILE A 89 -1.757 16.430 4.476 1.00 64.53 O ATOM 1523 CB ILE A 89 -3.358 16.672 6.781 1.00 13.43 C ATOM 1524 CG1 ILE A 89 -4.159 17.517 5.782 1.00 74.45 C ATOM 1525 CG2 ILE A 89 -2.090 17.396 7.220 1.00 14.44 C ATOM 1526 CD1 ILE A 89 -4.562 18.875 6.317 1.00 14.42 C ATOM 0 H ILE A 89 -1.298 14.780 7.258 1.00 64.32 H new ATOM 0 HA ILE A 89 -3.983 14.774 6.012 1.00 23.32 H new ATOM 0 HB ILE A 89 -3.976 16.522 7.666 1.00 13.43 H new ATOM 0 HG12 ILE A 89 -3.565 17.654 4.878 1.00 74.45 H new ATOM 0 HG13 ILE A 89 -5.056 16.969 5.494 1.00 74.45 H new ATOM 0 HG21 ILE A 89 -2.352 18.371 7.631 1.00 14.44 H new ATOM 0 HG22 ILE A 89 -1.579 16.806 7.981 1.00 14.44 H new ATOM 0 HG23 ILE A 89 -1.431 17.529 6.362 1.00 14.44 H new ATOM 0 HD11 ILE A 89 -5.125 19.414 5.555 1.00 14.42 H new ATOM 0 HD12 ILE A 89 -5.183 18.747 7.204 1.00 14.42 H new ATOM 0 HD13 ILE A 89 -3.669 19.443 6.578 1.00 14.42 H new ATOM 1538 N LYS A 90 -2.270 14.272 4.123 1.00 21.44 N ATOM 1539 CA LYS A 90 -1.635 14.220 2.814 1.00 54.14 C ATOM 1540 C LYS A 90 -2.342 13.234 1.905 1.00 45.44 C ATOM 1541 O LYS A 90 -2.882 12.226 2.362 1.00 13.03 O ATOM 1542 CB LYS A 90 -0.159 13.821 2.920 1.00 33.44 C ATOM 1543 CG LYS A 90 0.742 14.939 3.403 1.00 64.25 C ATOM 1544 CD LYS A 90 2.205 14.633 3.151 1.00 33.21 C ATOM 1545 CE LYS A 90 3.056 15.874 3.349 1.00 32.12 C ATOM 1546 NZ LYS A 90 2.623 16.986 2.458 1.00 3.42 N ATOM 0 H LYS A 90 -2.678 13.388 4.427 1.00 21.44 H new ATOM 0 HA LYS A 90 -1.704 15.222 2.392 1.00 54.14 H new ATOM 0 HB2 LYS A 90 -0.069 12.974 3.600 1.00 33.44 H new ATOM 0 HB3 LYS A 90 0.188 13.483 1.943 1.00 33.44 H new ATOM 0 HG2 LYS A 90 0.473 15.867 2.898 1.00 64.25 H new ATOM 0 HG3 LYS A 90 0.583 15.099 4.469 1.00 64.25 H new ATOM 0 HD2 LYS A 90 2.538 13.846 3.827 1.00 33.21 H new ATOM 0 HD3 LYS A 90 2.333 14.257 2.136 1.00 33.21 H new ATOM 0 HE2 LYS A 90 2.994 16.196 4.389 1.00 32.12 H new ATOM 0 HE3 LYS A 90 4.101 15.634 3.151 1.00 32.12 H new ATOM 0 HZ1 LYS A 90 3.396 17.675 2.362 1.00 3.42 H new ATOM 0 HZ2 LYS A 90 2.380 16.606 1.521 1.00 3.42 H new ATOM 0 HZ3 LYS A 90 1.790 17.455 2.868 1.00 3.42 H new ATOM 1560 N ASN A 91 -2.340 13.536 0.619 1.00 53.15 N ATOM 1561 CA ASN A 91 -2.815 12.605 -0.390 1.00 54.55 C ATOM 1562 C ASN A 91 -1.714 12.334 -1.403 1.00 44.20 C ATOM 1563 O ASN A 91 -1.623 13.000 -2.433 1.00 63.30 O ATOM 1564 CB ASN A 91 -4.073 13.125 -1.093 1.00 55.31 C ATOM 1565 CG ASN A 91 -5.343 12.844 -0.308 1.00 11.04 C ATOM 1566 OD1 ASN A 91 -6.288 13.633 -0.335 1.00 32.14 O ATOM 1567 ND2 ASN A 91 -5.386 11.711 0.380 1.00 64.43 N ATOM 0 H ASN A 91 -2.012 14.427 0.246 1.00 53.15 H new ATOM 0 HA ASN A 91 -3.082 11.674 0.110 1.00 54.55 H new ATOM 0 HB2 ASN A 91 -3.978 14.199 -1.250 1.00 55.31 H new ATOM 0 HB3 ASN A 91 -4.150 12.664 -2.078 1.00 55.31 H new ATOM 0 HD21 ASN A 91 -6.222 11.468 0.911 1.00 64.43 H new ATOM 0 HD22 ASN A 91 -4.583 11.082 0.378 1.00 64.43 H new ATOM 1574 N PRO A 92 -0.841 11.364 -1.098 1.00 41.42 N ATOM 1575 CA PRO A 92 0.266 10.981 -1.978 1.00 43.34 C ATOM 1576 C PRO A 92 -0.215 10.165 -3.167 1.00 21.01 C ATOM 1577 O PRO A 92 0.561 9.793 -4.039 1.00 31.33 O ATOM 1578 CB PRO A 92 1.153 10.131 -1.072 1.00 72.30 C ATOM 1579 CG PRO A 92 0.218 9.538 -0.079 1.00 52.52 C ATOM 1580 CD PRO A 92 -0.861 10.562 0.142 1.00 54.44 C ATOM 0 HA PRO A 92 0.775 11.845 -2.406 1.00 43.34 H new ATOM 0 HB2 PRO A 92 1.672 9.358 -1.638 1.00 72.30 H new ATOM 0 HB3 PRO A 92 1.917 10.736 -0.584 1.00 72.30 H new ATOM 0 HG2 PRO A 92 -0.202 8.603 -0.450 1.00 52.52 H new ATOM 0 HG3 PRO A 92 0.734 9.308 0.853 1.00 52.52 H new ATOM 0 HD2 PRO A 92 -1.832 10.093 0.300 1.00 54.44 H new ATOM 0 HD3 PRO A 92 -0.657 11.176 1.019 1.00 54.44 H new ATOM 1588 N THR A 93 -1.509 9.911 -3.189 1.00 4.50 N ATOM 1589 CA THR A 93 -2.130 9.088 -4.204 1.00 52.34 C ATOM 1590 C THR A 93 -2.471 9.901 -5.454 1.00 43.34 C ATOM 1591 O THR A 93 -3.134 9.410 -6.374 1.00 61.30 O ATOM 1592 CB THR A 93 -3.391 8.438 -3.625 1.00 63.34 C ATOM 1593 OG1 THR A 93 -4.136 9.414 -2.880 1.00 12.42 O ATOM 1594 CG2 THR A 93 -3.017 7.279 -2.713 1.00 72.25 C ATOM 0 H THR A 93 -2.163 10.274 -2.496 1.00 4.50 H new ATOM 0 HA THR A 93 -1.424 8.314 -4.504 1.00 52.34 H new ATOM 0 HB THR A 93 -4.001 8.059 -4.445 1.00 63.34 H new ATOM 0 HG1 THR A 93 -4.943 8.998 -2.511 1.00 12.42 H new ATOM 0 HG21 THR A 93 -3.923 6.827 -2.309 1.00 72.25 H new ATOM 0 HG22 THR A 93 -2.462 6.533 -3.282 1.00 72.25 H new ATOM 0 HG23 THR A 93 -2.398 7.646 -1.894 1.00 72.25 H new ATOM 1602 N TYR A 94 -2.014 11.147 -5.467 1.00 64.34 N ATOM 1603 CA TYR A 94 -2.161 12.018 -6.621 1.00 33.34 C ATOM 1604 C TYR A 94 -1.003 11.759 -7.587 1.00 30.10 C ATOM 1605 O TYR A 94 0.021 11.211 -7.183 1.00 10.41 O ATOM 1606 CB TYR A 94 -2.185 13.485 -6.163 1.00 44.54 C ATOM 1607 CG TYR A 94 -2.528 14.478 -7.253 1.00 34.24 C ATOM 1608 CD1 TYR A 94 -3.845 14.684 -7.647 1.00 31.35 C ATOM 1609 CD2 TYR A 94 -1.533 15.209 -7.887 1.00 31.03 C ATOM 1610 CE1 TYR A 94 -4.157 15.590 -8.644 1.00 1.04 C ATOM 1611 CE2 TYR A 94 -1.836 16.117 -8.882 1.00 3.24 C ATOM 1612 CZ TYR A 94 -3.149 16.304 -9.257 1.00 71.11 C ATOM 1613 OH TYR A 94 -3.457 17.211 -10.243 1.00 1.44 O ATOM 0 H TYR A 94 -1.532 11.579 -4.679 1.00 64.34 H new ATOM 0 HA TYR A 94 -3.100 11.811 -7.135 1.00 33.34 H new ATOM 0 HB2 TYR A 94 -2.909 13.588 -5.354 1.00 44.54 H new ATOM 0 HB3 TYR A 94 -1.208 13.740 -5.751 1.00 44.54 H new ATOM 0 HD1 TYR A 94 -4.637 14.128 -7.167 1.00 31.35 H new ATOM 0 HD2 TYR A 94 -0.503 15.065 -7.597 1.00 31.03 H new ATOM 0 HE1 TYR A 94 -5.185 15.738 -8.941 1.00 1.04 H new ATOM 0 HE2 TYR A 94 -1.049 16.678 -9.364 1.00 3.24 H new ATOM 0 HH TYR A 94 -2.634 17.630 -10.571 1.00 1.44 H new ATOM 1623 N LYS A 95 -1.180 12.134 -8.856 1.00 22.52 N ATOM 1624 CA LYS A 95 -0.178 11.892 -9.901 1.00 32.12 C ATOM 1625 C LYS A 95 -0.067 10.402 -10.185 1.00 53.35 C ATOM 1626 O LYS A 95 0.913 9.941 -10.770 1.00 61.43 O ATOM 1627 CB LYS A 95 1.207 12.446 -9.520 1.00 2.21 C ATOM 1628 CG LYS A 95 1.254 13.954 -9.341 1.00 2.43 C ATOM 1629 CD LYS A 95 0.772 14.689 -10.581 1.00 74.33 C ATOM 1630 CE LYS A 95 1.691 14.457 -11.764 1.00 75.30 C ATOM 1631 NZ LYS A 95 1.215 15.170 -12.974 1.00 33.02 N ATOM 0 H LYS A 95 -2.017 12.612 -9.189 1.00 22.52 H new ATOM 0 HA LYS A 95 -0.513 12.418 -10.795 1.00 32.12 H new ATOM 0 HB2 LYS A 95 1.532 11.972 -8.593 1.00 2.21 H new ATOM 0 HB3 LYS A 95 1.923 12.162 -10.291 1.00 2.21 H new ATOM 0 HG2 LYS A 95 0.637 14.237 -8.488 1.00 2.43 H new ATOM 0 HG3 LYS A 95 2.275 14.260 -9.112 1.00 2.43 H new ATOM 0 HD2 LYS A 95 -0.235 14.357 -10.832 1.00 74.33 H new ATOM 0 HD3 LYS A 95 0.712 15.757 -10.371 1.00 74.33 H new ATOM 0 HE2 LYS A 95 2.697 14.794 -11.515 1.00 75.30 H new ATOM 0 HE3 LYS A 95 1.755 13.389 -11.972 1.00 75.30 H new ATOM 0 HZ1 LYS A 95 1.868 14.989 -13.763 1.00 33.02 H new ATOM 0 HZ2 LYS A 95 0.265 14.831 -13.226 1.00 33.02 H new ATOM 0 HZ3 LYS A 95 1.178 16.192 -12.783 1.00 33.02 H new ATOM 1645 N ALA A 96 -1.094 9.665 -9.781 1.00 15.41 N ATOM 1646 CA ALA A 96 -1.115 8.221 -9.930 1.00 0.31 C ATOM 1647 C ALA A 96 -0.975 7.818 -11.381 1.00 71.14 C ATOM 1648 O ALA A 96 -1.677 8.330 -12.255 1.00 31.45 O ATOM 1649 CB ALA A 96 -2.398 7.652 -9.369 1.00 70.14 C ATOM 0 H ALA A 96 -1.930 10.052 -9.343 1.00 15.41 H new ATOM 0 HA ALA A 96 -0.267 7.819 -9.375 1.00 0.31 H new ATOM 0 HB1 ALA A 96 -2.398 6.569 -9.488 1.00 70.14 H new ATOM 0 HB2 ALA A 96 -2.474 7.901 -8.310 1.00 70.14 H new ATOM 0 HB3 ALA A 96 -3.248 8.076 -9.903 1.00 70.14 H new ATOM 1655 N GLU A 97 -0.077 6.893 -11.630 1.00 64.31 N ATOM 1656 CA GLU A 97 0.160 6.425 -12.969 1.00 42.14 C ATOM 1657 C GLU A 97 0.428 4.934 -12.948 1.00 13.23 C ATOM 1658 O GLU A 97 1.487 4.488 -12.495 1.00 61.41 O ATOM 1659 CB GLU A 97 1.334 7.186 -13.572 1.00 43.45 C ATOM 1660 CG GLU A 97 1.141 7.552 -15.027 1.00 50.13 C ATOM 1661 CD GLU A 97 1.555 6.449 -15.980 1.00 75.25 C ATOM 1662 OE1 GLU A 97 0.750 5.528 -16.211 1.00 4.33 O ATOM 1663 OE2 GLU A 97 2.676 6.516 -16.528 1.00 23.51 O ATOM 0 H GLU A 97 0.502 6.450 -10.917 1.00 64.31 H new ATOM 0 HA GLU A 97 -0.720 6.604 -13.587 1.00 42.14 H new ATOM 0 HB2 GLU A 97 1.499 8.097 -12.997 1.00 43.45 H new ATOM 0 HB3 GLU A 97 2.235 6.581 -13.476 1.00 43.45 H new ATOM 0 HG2 GLU A 97 0.092 7.796 -15.198 1.00 50.13 H new ATOM 0 HG3 GLU A 97 1.717 8.450 -15.249 1.00 50.13 H new ATOM 1670 N LEU A 98 -0.550 4.166 -13.400 1.00 55.43 N ATOM 1671 CA LEU A 98 -0.418 2.722 -13.451 1.00 61.52 C ATOM 1672 C LEU A 98 0.397 2.333 -14.676 1.00 2.33 C ATOM 1673 O LEU A 98 -0.130 1.823 -15.669 1.00 44.14 O ATOM 1674 CB LEU A 98 -1.797 2.055 -13.466 1.00 51.43 C ATOM 1675 CG LEU A 98 -2.714 2.445 -12.301 1.00 44.22 C ATOM 1676 CD1 LEU A 98 -4.042 1.718 -12.405 1.00 14.54 C ATOM 1677 CD2 LEU A 98 -2.054 2.144 -10.967 1.00 45.20 C ATOM 0 H LEU A 98 -1.445 4.521 -13.737 1.00 55.43 H new ATOM 0 HA LEU A 98 0.103 2.374 -12.559 1.00 61.52 H new ATOM 0 HB2 LEU A 98 -2.296 2.306 -14.402 1.00 51.43 H new ATOM 0 HB3 LEU A 98 -1.662 0.973 -13.457 1.00 51.43 H new ATOM 0 HG LEU A 98 -2.896 3.518 -12.359 1.00 44.22 H new ATOM 0 HD11 LEU A 98 -4.681 2.006 -11.570 1.00 14.54 H new ATOM 0 HD12 LEU A 98 -4.529 1.983 -13.343 1.00 14.54 H new ATOM 0 HD13 LEU A 98 -3.871 0.642 -12.376 1.00 14.54 H new ATOM 0 HD21 LEU A 98 -2.725 2.430 -10.157 1.00 45.20 H new ATOM 0 HD22 LEU A 98 -1.838 1.078 -10.900 1.00 45.20 H new ATOM 0 HD23 LEU A 98 -1.125 2.708 -10.885 1.00 45.20 H new ATOM 1689 N HIS A 99 1.692 2.614 -14.596 1.00 73.52 N ATOM 1690 CA HIS A 99 2.605 2.428 -15.711 1.00 50.24 C ATOM 1691 C HIS A 99 3.005 0.960 -15.836 1.00 0.43 C ATOM 1692 O HIS A 99 4.178 0.604 -15.709 1.00 33.44 O ATOM 1693 CB HIS A 99 3.844 3.307 -15.506 1.00 42.25 C ATOM 1694 CG HIS A 99 4.602 3.603 -16.761 1.00 43.04 C ATOM 1695 ND1 HIS A 99 4.426 4.762 -17.480 1.00 4.03 N ATOM 1696 CD2 HIS A 99 5.549 2.895 -17.418 1.00 73.13 C ATOM 1697 CE1 HIS A 99 5.229 4.758 -18.526 1.00 34.34 C ATOM 1698 NE2 HIS A 99 5.923 3.634 -18.511 1.00 33.11 N ATOM 0 H HIS A 99 2.137 2.978 -13.753 1.00 73.52 H new ATOM 0 HA HIS A 99 2.107 2.721 -16.635 1.00 50.24 H new ATOM 0 HB2 HIS A 99 3.536 4.248 -15.051 1.00 42.25 H new ATOM 0 HB3 HIS A 99 4.512 2.814 -14.799 1.00 42.25 H new ATOM 0 HD1 HIS A 99 3.775 5.510 -17.241 1.00 4.03 H new ATOM 0 HD2 HIS A 99 5.938 1.928 -17.135 1.00 73.13 H new ATOM 0 HE1 HIS A 99 5.306 5.539 -19.268 1.00 34.34 H new ATOM 1707 N ALA A 100 2.019 0.114 -16.075 1.00 41.12 N ATOM 1708 CA ALA A 100 2.252 -1.310 -16.207 1.00 64.12 C ATOM 1709 C ALA A 100 2.608 -1.667 -17.641 1.00 72.25 C ATOM 1710 O ALA A 100 1.732 -1.955 -18.459 1.00 21.25 O ATOM 1711 CB ALA A 100 1.035 -2.100 -15.745 1.00 72.14 C ATOM 0 H ALA A 100 1.044 0.393 -16.182 1.00 41.12 H new ATOM 0 HA ALA A 100 3.095 -1.576 -15.569 1.00 64.12 H new ATOM 0 HB1 ALA A 100 1.231 -3.167 -15.853 1.00 72.14 H new ATOM 0 HB2 ALA A 100 0.829 -1.873 -14.699 1.00 72.14 H new ATOM 0 HB3 ALA A 100 0.172 -1.827 -16.352 1.00 72.14 H new ATOM 1717 N SER A 101 3.895 -1.615 -17.952 1.00 74.44 N ATOM 1718 CA SER A 101 4.369 -2.010 -19.268 1.00 55.24 C ATOM 1719 C SER A 101 4.467 -3.531 -19.331 1.00 62.44 C ATOM 1720 O SER A 101 5.556 -4.106 -19.374 1.00 73.12 O ATOM 1721 CB SER A 101 5.722 -1.362 -19.581 1.00 41.51 C ATOM 1722 OG SER A 101 6.096 -1.562 -20.940 1.00 0.01 O ATOM 0 H SER A 101 4.627 -1.304 -17.313 1.00 74.44 H new ATOM 0 HA SER A 101 3.660 -1.665 -20.021 1.00 55.24 H new ATOM 0 HB2 SER A 101 5.672 -0.294 -19.370 1.00 41.51 H new ATOM 0 HB3 SER A 101 6.487 -1.781 -18.927 1.00 41.51 H new ATOM 0 HG SER A 101 6.962 -1.135 -21.107 1.00 0.01 H new