USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 HIS : no HE2:sc= 0.713 K(o=0.23,f=-4.8!) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= -0.484 USER MOD Set 2.1: A 91 ASN : amide:sc= 0.755 K(o=1,f=-5.2) USER MOD Set 2.2: A 93 THR OG1 : rot -105:sc= 0.243 USER MOD Set 3.1: A 52 TYR OH : rot 164:sc= -0.457 USER MOD Set 3.2: A 72 ASN : amide:sc= 0.058 K(o=-0.4,f=-2.9) USER MOD Set 4.1: A 34 HIS : no HD1:sc= -1.69 K(o=-0.61,f=0.37) USER MOD Set 4.2: A 62 THR OG1 : rot 76:sc= 1.2 USER MOD Set 4.3: A 63 HIS : no HD1:sc= -0.129 K(o=-0.61,f=-1.9) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -50:sc= -1.6! USER MOD Single : A 15 ASN : amide:sc= 1.3 K(o=1.3,f=-0.022) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0356 (180deg=-0.19) USER MOD Single : A 19 HIS : no HD1:sc= -0.813 K(o=-0.81,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.795 K(o=-0.79,f=0.21) USER MOD Single : A 28 TYR OH : rot 77:sc= 0.18 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.381 X(o=-0.38,f=0.089) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 2.27 (180deg=1.72) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc=-0.00359 (180deg=-0.1) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -1.95! (180deg=-3.52!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.277 K(o=0.28,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0352) USER MOD Single : A 57 ASN : amide:sc=-0.00951 K(o=-0.0095,f=-0.96) USER MOD Single : A 59 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 77:sc= 1.29 USER MOD Single : A 74 TYR OH : rot 15:sc= -0.542 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 84 HIS : no HE2:sc= -2.42! C(o=-2.3!,f=-10!) USER MOD Single : A 87 TYR OH : rot -172:sc= -1.29 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000497) 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 ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.736 7.194 12.162 1.00 73.12 N ATOM 21 CA ILE A 2 4.873 5.758 11.979 1.00 22.13 C ATOM 22 C ILE A 2 5.274 5.481 10.535 1.00 24.51 C ATOM 23 O ILE A 2 4.913 6.248 9.635 1.00 52.21 O ATOM 24 CB ILE A 2 3.560 5.004 12.320 1.00 33.15 C ATOM 25 CG1 ILE A 2 3.796 3.489 12.330 1.00 72.32 C ATOM 26 CG2 ILE A 2 2.454 5.365 11.337 1.00 13.35 C ATOM 27 CD1 ILE A 2 2.571 2.682 12.706 1.00 13.15 C ATOM 0 HA ILE A 2 5.641 5.395 12.662 1.00 22.13 H new ATOM 0 HB ILE A 2 3.242 5.312 13.316 1.00 33.15 H new ATOM 0 HG12 ILE A 2 4.136 3.177 11.342 1.00 72.32 H new ATOM 0 HG13 ILE A 2 4.599 3.260 13.030 1.00 72.32 H new ATOM 0 HG21 ILE A 2 1.545 4.824 11.598 1.00 13.35 H new ATOM 0 HG22 ILE A 2 2.263 6.437 11.382 1.00 13.35 H new ATOM 0 HG23 ILE A 2 2.762 5.093 10.327 1.00 13.35 H new ATOM 0 HD11 ILE A 2 2.816 1.620 12.691 1.00 13.15 H new ATOM 0 HD12 ILE A 2 2.242 2.964 13.706 1.00 13.15 H new ATOM 0 HD13 ILE A 2 1.772 2.880 11.992 1.00 13.15 H new ATOM 39 N THR A 3 6.043 4.427 10.318 1.00 42.42 N ATOM 40 CA THR A 3 6.464 4.057 8.980 1.00 3.14 C ATOM 41 C THR A 3 5.275 3.580 8.151 1.00 21.40 C ATOM 42 O THR A 3 4.359 2.934 8.670 1.00 34.25 O ATOM 43 CB THR A 3 7.551 2.963 9.023 1.00 71.43 C ATOM 44 OG1 THR A 3 7.116 1.870 9.842 1.00 70.32 O ATOM 45 CG2 THR A 3 8.858 3.522 9.566 1.00 22.33 C ATOM 0 H THR A 3 6.389 3.812 11.055 1.00 42.42 H new ATOM 0 HA THR A 3 6.886 4.945 8.509 1.00 3.14 H new ATOM 0 HB THR A 3 7.719 2.608 8.006 1.00 71.43 H new ATOM 0 HG1 THR A 3 7.811 1.180 9.862 1.00 70.32 H new ATOM 0 HG21 THR A 3 9.610 2.733 9.587 1.00 22.33 H new ATOM 0 HG22 THR A 3 9.201 4.333 8.924 1.00 22.33 H new ATOM 0 HG23 THR A 3 8.700 3.900 10.576 1.00 22.33 H new ATOM 53 N PHE A 4 5.287 3.912 6.865 1.00 2.11 N ATOM 54 CA PHE A 4 4.191 3.555 5.972 1.00 31.45 C ATOM 55 C PHE A 4 4.047 2.041 5.858 1.00 31.15 C ATOM 56 O PHE A 4 2.934 1.523 5.789 1.00 51.31 O ATOM 57 CB PHE A 4 4.411 4.182 4.592 1.00 4.32 C ATOM 58 CG PHE A 4 3.362 3.819 3.580 1.00 43.24 C ATOM 59 CD1 PHE A 4 2.016 3.955 3.875 1.00 4.43 C ATOM 60 CD2 PHE A 4 3.725 3.342 2.331 1.00 34.13 C ATOM 61 CE1 PHE A 4 1.051 3.621 2.945 1.00 70.51 C ATOM 62 CE2 PHE A 4 2.765 3.005 1.398 1.00 23.33 C ATOM 63 CZ PHE A 4 1.426 3.145 1.706 1.00 70.24 C ATOM 0 H PHE A 4 6.044 4.428 6.417 1.00 2.11 H new ATOM 0 HA PHE A 4 3.265 3.947 6.392 1.00 31.45 H new ATOM 0 HB2 PHE A 4 4.439 5.267 4.698 1.00 4.32 H new ATOM 0 HB3 PHE A 4 5.386 3.873 4.216 1.00 4.32 H new ATOM 0 HD1 PHE A 4 1.717 4.327 4.844 1.00 4.43 H new ATOM 0 HD2 PHE A 4 4.771 3.233 2.084 1.00 34.13 H new ATOM 0 HE1 PHE A 4 0.005 3.732 3.188 1.00 70.51 H new ATOM 0 HE2 PHE A 4 3.061 2.632 0.428 1.00 23.33 H new ATOM 0 HZ PHE A 4 0.673 2.882 0.977 1.00 70.24 H new ATOM 73 N ALA A 5 5.173 1.337 5.861 1.00 31.51 N ATOM 74 CA ALA A 5 5.165 -0.116 5.757 1.00 42.13 C ATOM 75 C ALA A 5 4.399 -0.752 6.913 1.00 4.04 C ATOM 76 O ALA A 5 3.532 -1.603 6.702 1.00 44.14 O ATOM 77 CB ALA A 5 6.588 -0.650 5.712 1.00 44.42 C ATOM 0 H ALA A 5 6.103 1.750 5.934 1.00 31.51 H new ATOM 0 HA ALA A 5 4.656 -0.382 4.831 1.00 42.13 H new ATOM 0 HB1 ALA A 5 6.566 -1.737 5.634 1.00 44.42 H new ATOM 0 HB2 ALA A 5 7.105 -0.235 4.847 1.00 44.42 H new ATOM 0 HB3 ALA A 5 7.114 -0.362 6.622 1.00 44.42 H new ATOM 83 N ASP A 6 4.708 -0.319 8.130 1.00 20.33 N ATOM 84 CA ASP A 6 4.093 -0.894 9.321 1.00 52.21 C ATOM 85 C ASP A 6 2.618 -0.515 9.396 1.00 51.45 C ATOM 86 O ASP A 6 1.764 -1.361 9.664 1.00 20.43 O ATOM 87 CB ASP A 6 4.817 -0.423 10.582 1.00 60.54 C ATOM 88 CG ASP A 6 4.431 -1.228 11.807 1.00 44.44 C ATOM 89 OD1 ASP A 6 5.083 -2.264 12.067 1.00 15.01 O ATOM 90 OD2 ASP A 6 3.495 -0.823 12.527 1.00 1.42 O ATOM 0 H ASP A 6 5.379 0.426 8.318 1.00 20.33 H new ATOM 0 HA ASP A 6 4.175 -1.979 9.255 1.00 52.21 H new ATOM 0 HB2 ASP A 6 5.894 -0.496 10.428 1.00 60.54 H new ATOM 0 HB3 ASP A 6 4.590 0.629 10.756 1.00 60.54 H new ATOM 95 N TYR A 7 2.325 0.759 9.138 1.00 51.35 N ATOM 96 CA TYR A 7 0.952 1.253 9.170 1.00 14.12 C ATOM 97 C TYR A 7 0.077 0.491 8.179 1.00 52.43 C ATOM 98 O TYR A 7 -1.046 0.111 8.504 1.00 21.34 O ATOM 99 CB TYR A 7 0.905 2.756 8.862 1.00 31.13 C ATOM 100 CG TYR A 7 -0.499 3.330 8.865 1.00 63.50 C ATOM 101 CD1 TYR A 7 -1.093 3.758 10.045 1.00 71.14 C ATOM 102 CD2 TYR A 7 -1.232 3.437 7.687 1.00 34.34 C ATOM 103 CE1 TYR A 7 -2.378 4.270 10.053 1.00 23.12 C ATOM 104 CE2 TYR A 7 -2.515 3.951 7.686 1.00 54.44 C ATOM 105 CZ TYR A 7 -3.084 4.364 8.873 1.00 62.20 C ATOM 106 OH TYR A 7 -4.362 4.875 8.877 1.00 71.41 O ATOM 0 H TYR A 7 3.021 1.467 8.905 1.00 51.35 H new ATOM 0 HA TYR A 7 0.564 1.090 10.175 1.00 14.12 H new ATOM 0 HB2 TYR A 7 1.508 3.289 9.597 1.00 31.13 H new ATOM 0 HB3 TYR A 7 1.360 2.934 7.887 1.00 31.13 H new ATOM 0 HD1 TYR A 7 -0.543 3.690 10.972 1.00 71.14 H new ATOM 0 HD2 TYR A 7 -0.790 3.112 6.756 1.00 34.34 H new ATOM 0 HE1 TYR A 7 -2.826 4.595 10.980 1.00 23.12 H new ATOM 0 HE2 TYR A 7 -3.069 4.029 6.762 1.00 54.44 H new ATOM 0 HH TYR A 7 -4.718 4.873 7.964 1.00 71.41 H new ATOM 116 N PHE A 8 0.602 0.268 6.978 1.00 62.53 N ATOM 117 CA PHE A 8 -0.135 -0.436 5.934 1.00 54.02 C ATOM 118 C PHE A 8 -0.531 -1.836 6.393 1.00 32.13 C ATOM 119 O PHE A 8 -1.690 -2.237 6.276 1.00 1.50 O ATOM 120 CB PHE A 8 0.714 -0.524 4.660 1.00 23.01 C ATOM 121 CG PHE A 8 0.026 -1.229 3.523 1.00 54.23 C ATOM 122 CD1 PHE A 8 -0.940 -0.579 2.771 1.00 34.50 C ATOM 123 CD2 PHE A 8 0.347 -2.540 3.209 1.00 55.23 C ATOM 124 CE1 PHE A 8 -1.574 -1.226 1.727 1.00 55.10 C ATOM 125 CE2 PHE A 8 -0.284 -3.191 2.167 1.00 31.14 C ATOM 126 CZ PHE A 8 -1.246 -2.533 1.425 1.00 31.42 C ATOM 0 H PHE A 8 1.538 0.566 6.703 1.00 62.53 H new ATOM 0 HA PHE A 8 -1.045 0.125 5.723 1.00 54.02 H new ATOM 0 HB2 PHE A 8 0.982 0.484 4.342 1.00 23.01 H new ATOM 0 HB3 PHE A 8 1.644 -1.044 4.889 1.00 23.01 H new ATOM 0 HD1 PHE A 8 -1.200 0.443 3.003 1.00 34.50 H new ATOM 0 HD2 PHE A 8 1.099 -3.058 3.785 1.00 55.23 H new ATOM 0 HE1 PHE A 8 -2.325 -0.710 1.148 1.00 55.10 H new ATOM 0 HE2 PHE A 8 -0.026 -4.213 1.933 1.00 31.14 H new ATOM 0 HZ PHE A 8 -1.741 -3.040 0.610 1.00 31.42 H new ATOM 136 N TYR A 9 0.435 -2.568 6.932 1.00 14.23 N ATOM 137 CA TYR A 9 0.196 -3.928 7.382 1.00 40.21 C ATOM 138 C TYR A 9 -0.771 -3.936 8.559 1.00 61.52 C ATOM 139 O TYR A 9 -1.709 -4.732 8.598 1.00 30.11 O ATOM 140 CB TYR A 9 1.509 -4.601 7.778 1.00 2.23 C ATOM 141 CG TYR A 9 1.382 -6.095 7.970 1.00 63.44 C ATOM 142 CD1 TYR A 9 1.014 -6.631 9.196 1.00 44.12 C ATOM 143 CD2 TYR A 9 1.629 -6.966 6.919 1.00 61.32 C ATOM 144 CE1 TYR A 9 0.896 -7.995 9.371 1.00 21.31 C ATOM 145 CE2 TYR A 9 1.513 -8.330 7.082 1.00 55.33 C ATOM 146 CZ TYR A 9 1.148 -8.843 8.308 1.00 10.20 C ATOM 147 OH TYR A 9 1.040 -10.208 8.466 1.00 21.11 O ATOM 0 H TYR A 9 1.391 -2.240 7.067 1.00 14.23 H new ATOM 0 HA TYR A 9 -0.248 -4.488 6.559 1.00 40.21 H new ATOM 0 HB2 TYR A 9 2.257 -4.403 7.010 1.00 2.23 H new ATOM 0 HB3 TYR A 9 1.875 -4.153 8.702 1.00 2.23 H new ATOM 0 HD1 TYR A 9 0.817 -5.970 10.027 1.00 44.12 H new ATOM 0 HD2 TYR A 9 1.917 -6.569 5.957 1.00 61.32 H new ATOM 0 HE1 TYR A 9 0.609 -8.397 10.331 1.00 21.31 H new ATOM 0 HE2 TYR A 9 1.707 -8.994 6.252 1.00 55.33 H new ATOM 0 HH TYR A 9 1.251 -10.653 7.619 1.00 21.11 H new ATOM 157 N GLN A 10 -0.537 -3.040 9.509 1.00 2.34 N ATOM 158 CA GLN A 10 -1.387 -2.924 10.684 1.00 14.42 C ATOM 159 C GLN A 10 -2.821 -2.598 10.275 1.00 3.45 C ATOM 160 O GLN A 10 -3.771 -3.185 10.790 1.00 22.15 O ATOM 161 CB GLN A 10 -0.844 -1.837 11.615 1.00 31.23 C ATOM 162 CG GLN A 10 -1.634 -1.675 12.902 1.00 14.10 C ATOM 163 CD GLN A 10 -1.102 -0.554 13.767 1.00 11.23 C ATOM 164 OE1 GLN A 10 -0.220 -0.760 14.599 1.00 30.32 O ATOM 165 NE2 GLN A 10 -1.635 0.645 13.582 1.00 55.01 N ATOM 0 H GLN A 10 0.240 -2.380 9.487 1.00 2.34 H new ATOM 0 HA GLN A 10 -1.386 -3.878 11.212 1.00 14.42 H new ATOM 0 HB2 GLN A 10 0.192 -2.070 11.863 1.00 31.23 H new ATOM 0 HB3 GLN A 10 -0.838 -0.886 11.082 1.00 31.23 H new ATOM 0 HG2 GLN A 10 -2.679 -1.480 12.662 1.00 14.10 H new ATOM 0 HG3 GLN A 10 -1.605 -2.609 13.463 1.00 14.10 H new ATOM 0 HE21 GLN A 10 -2.365 0.776 12.882 1.00 55.01 H new ATOM 0 HE22 GLN A 10 -1.315 1.437 14.140 1.00 55.01 H new ATOM 174 N TRP A 11 -2.962 -1.670 9.336 1.00 45.11 N ATOM 175 CA TRP A 11 -4.268 -1.273 8.819 1.00 21.35 C ATOM 176 C TRP A 11 -5.020 -2.481 8.264 1.00 21.11 C ATOM 177 O TRP A 11 -6.192 -2.695 8.577 1.00 11.12 O ATOM 178 CB TRP A 11 -4.093 -0.204 7.736 1.00 42.44 C ATOM 179 CG TRP A 11 -5.357 0.143 7.007 1.00 51.45 C ATOM 180 CD1 TRP A 11 -6.373 0.939 7.447 1.00 13.04 C ATOM 181 CD2 TRP A 11 -5.729 -0.293 5.695 1.00 61.11 C ATOM 182 NE1 TRP A 11 -7.357 1.017 6.490 1.00 70.32 N ATOM 183 CE2 TRP A 11 -6.983 0.271 5.406 1.00 23.02 C ATOM 184 CE3 TRP A 11 -5.118 -1.109 4.739 1.00 42.02 C ATOM 185 CZ2 TRP A 11 -7.639 0.044 4.201 1.00 61.10 C ATOM 186 CZ3 TRP A 11 -5.771 -1.331 3.543 1.00 55.01 C ATOM 187 CH2 TRP A 11 -7.018 -0.756 3.284 1.00 4.00 C ATOM 0 H TRP A 11 -2.179 -1.173 8.912 1.00 45.11 H new ATOM 0 HA TRP A 11 -4.857 -0.857 9.636 1.00 21.35 H new ATOM 0 HB2 TRP A 11 -3.691 0.700 8.194 1.00 42.44 H new ATOM 0 HB3 TRP A 11 -3.354 -0.551 7.014 1.00 42.44 H new ATOM 0 HD1 TRP A 11 -6.401 1.435 8.406 1.00 13.04 H new ATOM 0 HE1 TRP A 11 -8.225 1.546 6.575 1.00 70.32 H new ATOM 0 HE3 TRP A 11 -4.154 -1.557 4.932 1.00 42.02 H new ATOM 0 HZ2 TRP A 11 -8.604 0.484 3.998 1.00 61.10 H new ATOM 0 HZ3 TRP A 11 -5.310 -1.959 2.795 1.00 55.01 H new ATOM 0 HH2 TRP A 11 -7.502 -0.948 2.338 1.00 4.00 H new ATOM 198 N TYR A 12 -4.337 -3.267 7.444 1.00 4.21 N ATOM 199 CA TYR A 12 -4.913 -4.487 6.895 1.00 21.34 C ATOM 200 C TYR A 12 -5.274 -5.471 8.009 1.00 3.42 C ATOM 201 O TYR A 12 -6.370 -6.036 8.018 1.00 22.12 O ATOM 202 CB TYR A 12 -3.933 -5.136 5.909 1.00 43.10 C ATOM 203 CG TYR A 12 -4.160 -6.619 5.707 1.00 21.33 C ATOM 204 CD1 TYR A 12 -5.274 -7.088 5.022 1.00 1.50 C ATOM 205 CD2 TYR A 12 -3.265 -7.549 6.222 1.00 42.41 C ATOM 206 CE1 TYR A 12 -5.487 -8.441 4.853 1.00 10.35 C ATOM 207 CE2 TYR A 12 -3.474 -8.904 6.059 1.00 74.43 C ATOM 208 CZ TYR A 12 -4.584 -9.343 5.375 1.00 51.44 C ATOM 209 OH TYR A 12 -4.796 -10.689 5.222 1.00 63.23 O ATOM 0 H TYR A 12 -3.380 -3.081 7.143 1.00 4.21 H new ATOM 0 HA TYR A 12 -5.828 -4.225 6.365 1.00 21.34 H new ATOM 0 HB2 TYR A 12 -4.014 -4.631 4.946 1.00 43.10 H new ATOM 0 HB3 TYR A 12 -2.915 -4.979 6.267 1.00 43.10 H new ATOM 0 HD1 TYR A 12 -5.984 -6.383 4.616 1.00 1.50 H new ATOM 0 HD2 TYR A 12 -2.392 -7.206 6.758 1.00 42.41 H new ATOM 0 HE1 TYR A 12 -6.356 -8.791 4.315 1.00 10.35 H new ATOM 0 HE2 TYR A 12 -2.770 -9.615 6.466 1.00 74.43 H new ATOM 0 HH TYR A 12 -5.711 -10.909 5.496 1.00 63.23 H new ATOM 219 N GLU A 13 -4.354 -5.649 8.947 1.00 71.42 N ATOM 220 CA GLU A 13 -4.518 -6.613 10.030 1.00 20.43 C ATOM 221 C GLU A 13 -5.733 -6.280 10.899 1.00 75.42 C ATOM 222 O GLU A 13 -6.469 -7.170 11.319 1.00 25.32 O ATOM 223 CB GLU A 13 -3.242 -6.655 10.877 1.00 11.03 C ATOM 224 CG GLU A 13 -3.283 -7.659 12.015 1.00 0.24 C ATOM 225 CD GLU A 13 -1.957 -7.775 12.735 1.00 3.50 C ATOM 226 OE1 GLU A 13 -1.554 -6.809 13.415 1.00 23.42 O ATOM 227 OE2 GLU A 13 -1.312 -8.839 12.634 1.00 11.50 O ATOM 0 H GLU A 13 -3.475 -5.132 8.980 1.00 71.42 H new ATOM 0 HA GLU A 13 -4.693 -7.596 9.593 1.00 20.43 H new ATOM 0 HB2 GLU A 13 -2.397 -6.891 10.230 1.00 11.03 H new ATOM 0 HB3 GLU A 13 -3.060 -5.663 11.289 1.00 11.03 H new ATOM 0 HG2 GLU A 13 -4.054 -7.365 12.727 1.00 0.24 H new ATOM 0 HG3 GLU A 13 -3.566 -8.636 11.623 1.00 0.24 H new ATOM 234 N VAL A 14 -5.951 -4.998 11.150 1.00 65.44 N ATOM 235 CA VAL A 14 -7.066 -4.565 11.987 1.00 72.12 C ATOM 236 C VAL A 14 -8.402 -4.656 11.238 1.00 40.01 C ATOM 237 O VAL A 14 -9.462 -4.763 11.854 1.00 4.45 O ATOM 238 CB VAL A 14 -6.850 -3.115 12.493 1.00 61.03 C ATOM 239 CG1 VAL A 14 -8.022 -2.631 13.337 1.00 42.12 C ATOM 240 CG2 VAL A 14 -5.562 -3.015 13.291 1.00 53.45 C ATOM 0 H VAL A 14 -5.374 -4.239 10.788 1.00 65.44 H new ATOM 0 HA VAL A 14 -7.104 -5.239 12.843 1.00 72.12 H new ATOM 0 HB VAL A 14 -6.780 -2.473 11.615 1.00 61.03 H new ATOM 0 HG11 VAL A 14 -7.832 -1.611 13.672 1.00 42.12 H new ATOM 0 HG12 VAL A 14 -8.934 -2.653 12.740 1.00 42.12 H new ATOM 0 HG13 VAL A 14 -8.140 -3.282 14.203 1.00 42.12 H new ATOM 0 HG21 VAL A 14 -5.427 -1.990 13.638 1.00 53.45 H new ATOM 0 HG22 VAL A 14 -5.613 -3.685 14.149 1.00 53.45 H new ATOM 0 HG23 VAL A 14 -4.720 -3.298 12.659 1.00 53.45 H new ATOM 250 N ASN A 15 -8.355 -4.649 9.910 1.00 71.41 N ATOM 251 CA ASN A 15 -9.581 -4.559 9.122 1.00 24.54 C ATOM 252 C ASN A 15 -9.895 -5.852 8.368 1.00 10.51 C ATOM 253 O ASN A 15 -10.791 -6.596 8.752 1.00 3.54 O ATOM 254 CB ASN A 15 -9.503 -3.386 8.139 1.00 21.53 C ATOM 255 CG ASN A 15 -9.667 -2.032 8.808 1.00 1.31 C ATOM 256 OD1 ASN A 15 -10.778 -1.522 8.947 1.00 50.24 O ATOM 257 ND2 ASN A 15 -8.559 -1.434 9.212 1.00 65.53 N ATOM 0 H ASN A 15 -7.496 -4.704 9.363 1.00 71.41 H new ATOM 0 HA ASN A 15 -10.394 -4.391 9.828 1.00 24.54 H new ATOM 0 HB2 ASN A 15 -8.543 -3.415 7.624 1.00 21.53 H new ATOM 0 HB3 ASN A 15 -10.276 -3.505 7.380 1.00 21.53 H new ATOM 0 HD21 ASN A 15 -8.607 -0.517 9.657 1.00 65.53 H new ATOM 0 HD22 ASN A 15 -7.656 -1.889 9.079 1.00 65.53 H new ATOM 264 N LYS A 16 -9.133 -6.132 7.314 1.00 5.43 N ATOM 265 CA LYS A 16 -9.497 -7.177 6.354 1.00 53.20 C ATOM 266 C LYS A 16 -9.042 -8.566 6.792 1.00 2.22 C ATOM 267 O LYS A 16 -9.490 -9.566 6.227 1.00 74.21 O ATOM 268 CB LYS A 16 -8.899 -6.878 4.970 1.00 25.20 C ATOM 269 CG LYS A 16 -9.572 -5.741 4.208 1.00 13.40 C ATOM 270 CD LYS A 16 -9.291 -4.382 4.830 1.00 31.10 C ATOM 271 CE LYS A 16 -9.961 -3.258 4.056 1.00 53.33 C ATOM 272 NZ LYS A 16 -11.440 -3.414 3.992 1.00 72.13 N ATOM 0 H LYS A 16 -8.259 -5.651 7.101 1.00 5.43 H new ATOM 0 HA LYS A 16 -10.586 -7.174 6.305 1.00 53.20 H new ATOM 0 HB2 LYS A 16 -7.843 -6.638 5.092 1.00 25.20 H new ATOM 0 HB3 LYS A 16 -8.953 -7.783 4.365 1.00 25.20 H new ATOM 0 HG2 LYS A 16 -9.225 -5.744 3.175 1.00 13.40 H new ATOM 0 HG3 LYS A 16 -10.648 -5.911 4.183 1.00 13.40 H new ATOM 0 HD2 LYS A 16 -9.644 -4.374 5.861 1.00 31.10 H new ATOM 0 HD3 LYS A 16 -8.215 -4.211 4.860 1.00 31.10 H new ATOM 0 HE2 LYS A 16 -9.719 -2.304 4.524 1.00 53.33 H new ATOM 0 HE3 LYS A 16 -9.558 -3.227 3.044 1.00 53.33 H new ATOM 0 HZ1 LYS A 16 -11.864 -2.546 3.606 1.00 72.13 H new ATOM 0 HZ2 LYS A 16 -11.678 -4.219 3.378 1.00 72.13 H new ATOM 0 HZ3 LYS A 16 -11.813 -3.586 4.948 1.00 72.13 H new ATOM 286 N LEU A 17 -8.170 -8.625 7.795 1.00 61.14 N ATOM 287 CA LEU A 17 -7.515 -9.879 8.189 1.00 62.23 C ATOM 288 C LEU A 17 -8.501 -11.046 8.386 1.00 54.15 C ATOM 289 O LEU A 17 -8.379 -12.064 7.708 1.00 0.24 O ATOM 290 CB LEU A 17 -6.679 -9.685 9.458 1.00 32.42 C ATOM 291 CG LEU A 17 -5.838 -10.894 9.867 1.00 5.30 C ATOM 292 CD1 LEU A 17 -4.762 -11.169 8.829 1.00 34.20 C ATOM 293 CD2 LEU A 17 -5.216 -10.674 11.236 1.00 60.54 C ATOM 0 H LEU A 17 -7.897 -7.817 8.355 1.00 61.14 H new ATOM 0 HA LEU A 17 -6.863 -10.148 7.358 1.00 62.23 H new ATOM 0 HB2 LEU A 17 -6.016 -8.832 9.312 1.00 32.42 H new ATOM 0 HB3 LEU A 17 -7.348 -9.431 10.281 1.00 32.42 H new ATOM 0 HG LEU A 17 -6.492 -11.764 9.924 1.00 5.30 H new ATOM 0 HD11 LEU A 17 -4.173 -12.033 9.136 1.00 34.20 H new ATOM 0 HD12 LEU A 17 -5.229 -11.372 7.866 1.00 34.20 H new ATOM 0 HD13 LEU A 17 -4.111 -10.299 8.740 1.00 34.20 H new ATOM 0 HD21 LEU A 17 -4.621 -11.545 11.510 1.00 60.54 H new ATOM 0 HD22 LEU A 17 -4.576 -9.792 11.207 1.00 60.54 H new ATOM 0 HD23 LEU A 17 -6.004 -10.526 11.974 1.00 60.54 H new ATOM 305 N PRO A 18 -9.499 -10.931 9.287 1.00 45.23 N ATOM 306 CA PRO A 18 -10.392 -12.045 9.600 1.00 22.24 C ATOM 307 C PRO A 18 -11.542 -12.195 8.605 1.00 12.50 C ATOM 308 O PRO A 18 -12.543 -12.848 8.898 1.00 24.14 O ATOM 309 CB PRO A 18 -10.943 -11.698 10.987 1.00 24.21 C ATOM 310 CG PRO A 18 -10.595 -10.265 11.255 1.00 42.14 C ATOM 311 CD PRO A 18 -9.849 -9.731 10.059 1.00 0.23 C ATOM 0 HA PRO A 18 -9.858 -12.994 9.557 1.00 22.24 H new ATOM 0 HB2 PRO A 18 -12.023 -11.845 11.020 1.00 24.21 H new ATOM 0 HB3 PRO A 18 -10.510 -12.348 11.747 1.00 24.21 H new ATOM 0 HG2 PRO A 18 -11.498 -9.681 11.432 1.00 42.14 H new ATOM 0 HG3 PRO A 18 -9.982 -10.184 12.153 1.00 42.14 H new ATOM 0 HD2 PRO A 18 -10.468 -9.049 9.476 1.00 0.23 H new ATOM 0 HD3 PRO A 18 -8.959 -9.177 10.359 1.00 0.23 H new ATOM 319 N HIS A 19 -11.398 -11.606 7.430 1.00 1.40 N ATOM 320 CA HIS A 19 -12.468 -11.634 6.443 1.00 62.13 C ATOM 321 C HIS A 19 -11.983 -12.219 5.123 1.00 45.31 C ATOM 322 O HIS A 19 -12.670 -13.034 4.504 1.00 21.00 O ATOM 323 CB HIS A 19 -13.024 -10.223 6.221 1.00 73.11 C ATOM 324 CG HIS A 19 -13.545 -9.581 7.471 1.00 23.04 C ATOM 325 ND1 HIS A 19 -14.823 -9.811 7.923 1.00 14.41 N ATOM 326 CD2 HIS A 19 -12.914 -8.754 8.336 1.00 52.13 C ATOM 327 CE1 HIS A 19 -14.936 -9.127 9.050 1.00 2.41 C ATOM 328 NE2 HIS A 19 -13.806 -8.471 9.339 1.00 30.13 N ATOM 0 H HIS A 19 -10.559 -11.106 7.136 1.00 1.40 H new ATOM 0 HA HIS A 19 -13.263 -12.274 6.827 1.00 62.13 H new ATOM 0 HB2 HIS A 19 -12.240 -9.594 5.799 1.00 73.11 H new ATOM 0 HB3 HIS A 19 -13.826 -10.269 5.484 1.00 73.11 H new ATOM 0 HD2 HIS A 19 -11.902 -8.387 8.253 1.00 52.13 H new ATOM 0 HE1 HIS A 19 -15.827 -9.101 9.659 1.00 2.41 H new ATOM 0 HE2 HIS A 19 -13.640 -7.875 10.150 1.00 30.13 H new ATOM 336 N VAL A 20 -10.793 -11.815 4.702 1.00 51.40 N ATOM 337 CA VAL A 20 -10.264 -12.230 3.412 1.00 55.32 C ATOM 338 C VAL A 20 -9.619 -13.613 3.487 1.00 5.04 C ATOM 339 O VAL A 20 -9.073 -14.005 4.521 1.00 23.55 O ATOM 340 CB VAL A 20 -9.241 -11.207 2.870 1.00 51.40 C ATOM 341 CG1 VAL A 20 -9.885 -9.836 2.722 1.00 62.05 C ATOM 342 CG2 VAL A 20 -8.015 -11.128 3.771 1.00 32.31 C ATOM 0 H VAL A 20 -10.177 -11.201 5.235 1.00 51.40 H new ATOM 0 HA VAL A 20 -11.109 -12.280 2.726 1.00 55.32 H new ATOM 0 HB VAL A 20 -8.914 -11.545 1.887 1.00 51.40 H new ATOM 0 HG11 VAL A 20 -9.150 -9.128 2.339 1.00 62.05 H new ATOM 0 HG12 VAL A 20 -10.723 -9.901 2.027 1.00 62.05 H new ATOM 0 HG13 VAL A 20 -10.244 -9.496 3.693 1.00 62.05 H new ATOM 0 HG21 VAL A 20 -7.312 -10.401 3.366 1.00 32.31 H new ATOM 0 HG22 VAL A 20 -8.318 -10.821 4.772 1.00 32.31 H new ATOM 0 HG23 VAL A 20 -7.537 -12.106 3.821 1.00 32.31 H new ATOM 352 N SER A 21 -9.709 -14.355 2.391 1.00 53.42 N ATOM 353 CA SER A 21 -9.088 -15.668 2.300 1.00 50.42 C ATOM 354 C SER A 21 -7.585 -15.532 2.063 1.00 74.12 C ATOM 355 O SER A 21 -7.092 -14.432 1.797 1.00 23.45 O ATOM 356 CB SER A 21 -9.724 -16.470 1.166 1.00 54.24 C ATOM 357 OG SER A 21 -11.132 -16.554 1.325 1.00 11.42 O ATOM 0 H SER A 21 -10.209 -14.067 1.550 1.00 53.42 H new ATOM 0 HA SER A 21 -9.247 -16.194 3.242 1.00 50.42 H new ATOM 0 HB2 SER A 21 -9.490 -16.001 0.210 1.00 54.24 H new ATOM 0 HB3 SER A 21 -9.297 -17.473 1.142 1.00 54.24 H new ATOM 0 HG SER A 21 -11.514 -17.071 0.585 1.00 11.42 H new ATOM 363 N GLU A 22 -6.869 -16.651 2.137 1.00 44.22 N ATOM 364 CA GLU A 22 -5.413 -16.656 1.984 1.00 54.13 C ATOM 365 C GLU A 22 -4.993 -16.064 0.636 1.00 55.14 C ATOM 366 O GLU A 22 -3.958 -15.406 0.537 1.00 22.25 O ATOM 367 CB GLU A 22 -4.848 -18.080 2.140 1.00 34.15 C ATOM 368 CG GLU A 22 -5.166 -19.031 0.987 1.00 2.21 C ATOM 369 CD GLU A 22 -6.647 -19.313 0.833 1.00 3.10 C ATOM 370 OE1 GLU A 22 -7.150 -20.233 1.507 1.00 11.32 O ATOM 371 OE2 GLU A 22 -7.314 -18.609 0.047 1.00 42.11 O ATOM 0 H GLU A 22 -7.275 -17.572 2.303 1.00 44.22 H new ATOM 0 HA GLU A 22 -4.999 -16.030 2.774 1.00 54.13 H new ATOM 0 HB2 GLU A 22 -3.765 -18.015 2.250 1.00 34.15 H new ATOM 0 HB3 GLU A 22 -5.237 -18.510 3.063 1.00 34.15 H new ATOM 0 HG2 GLU A 22 -4.786 -18.605 0.059 1.00 2.21 H new ATOM 0 HG3 GLU A 22 -4.639 -19.972 1.145 1.00 2.21 H new ATOM 378 N SER A 23 -5.803 -16.297 -0.390 1.00 72.40 N ATOM 379 CA SER A 23 -5.548 -15.753 -1.715 1.00 23.51 C ATOM 380 C SER A 23 -5.491 -14.227 -1.672 1.00 45.02 C ATOM 381 O SER A 23 -4.579 -13.616 -2.225 1.00 74.14 O ATOM 382 CB SER A 23 -6.630 -16.232 -2.686 1.00 0.31 C ATOM 383 OG SER A 23 -7.924 -16.065 -2.125 1.00 73.14 O ATOM 0 H SER A 23 -6.648 -16.864 -0.327 1.00 72.40 H new ATOM 0 HA SER A 23 -4.579 -16.111 -2.064 1.00 23.51 H new ATOM 0 HB2 SER A 23 -6.559 -15.674 -3.620 1.00 0.31 H new ATOM 0 HB3 SER A 23 -6.467 -17.282 -2.929 1.00 0.31 H new ATOM 0 HG SER A 23 -8.600 -16.376 -2.763 1.00 73.14 H new ATOM 389 N THR A 24 -6.454 -13.619 -0.985 1.00 74.24 N ATOM 390 CA THR A 24 -6.490 -12.170 -0.843 1.00 22.23 C ATOM 391 C THR A 24 -5.351 -11.692 0.056 1.00 63.13 C ATOM 392 O THR A 24 -4.774 -10.625 -0.166 1.00 54.35 O ATOM 393 CB THR A 24 -7.833 -11.698 -0.252 1.00 12.11 C ATOM 394 OG1 THR A 24 -8.924 -12.323 -0.941 1.00 0.34 O ATOM 395 CG2 THR A 24 -7.967 -10.184 -0.350 1.00 3.05 C ATOM 0 H THR A 24 -7.218 -14.108 -0.519 1.00 74.24 H new ATOM 0 HA THR A 24 -6.375 -11.742 -1.839 1.00 22.23 H new ATOM 0 HB THR A 24 -7.858 -11.983 0.800 1.00 12.11 H new ATOM 0 HG1 THR A 24 -9.772 -12.017 -0.556 1.00 0.34 H new ATOM 0 HG21 THR A 24 -8.923 -9.875 0.073 1.00 3.05 H new ATOM 0 HG22 THR A 24 -7.155 -9.710 0.202 1.00 3.05 H new ATOM 0 HG23 THR A 24 -7.919 -9.881 -1.396 1.00 3.05 H new ATOM 403 N LYS A 25 -5.025 -12.498 1.063 1.00 75.31 N ATOM 404 CA LYS A 25 -3.949 -12.171 1.992 1.00 33.54 C ATOM 405 C LYS A 25 -2.629 -12.002 1.250 1.00 71.00 C ATOM 406 O LYS A 25 -1.865 -11.082 1.533 1.00 22.23 O ATOM 407 CB LYS A 25 -3.800 -13.256 3.060 1.00 13.23 C ATOM 408 CG LYS A 25 -5.048 -13.476 3.901 1.00 4.43 C ATOM 409 CD LYS A 25 -4.788 -14.446 5.042 1.00 22.11 C ATOM 410 CE LYS A 25 -3.765 -13.889 6.015 1.00 71.34 C ATOM 411 NZ LYS A 25 -3.509 -14.813 7.149 1.00 22.41 N ATOM 0 H LYS A 25 -5.492 -13.384 1.256 1.00 75.31 H new ATOM 0 HA LYS A 25 -4.207 -11.231 2.479 1.00 33.54 H new ATOM 0 HB2 LYS A 25 -3.532 -14.194 2.574 1.00 13.23 H new ATOM 0 HB3 LYS A 25 -2.973 -12.991 3.719 1.00 13.23 H new ATOM 0 HG2 LYS A 25 -5.389 -12.522 4.304 1.00 4.43 H new ATOM 0 HG3 LYS A 25 -5.850 -13.861 3.271 1.00 4.43 H new ATOM 0 HD2 LYS A 25 -5.720 -14.650 5.568 1.00 22.11 H new ATOM 0 HD3 LYS A 25 -4.433 -15.396 4.642 1.00 22.11 H new ATOM 0 HE2 LYS A 25 -2.831 -13.697 5.487 1.00 71.34 H new ATOM 0 HE3 LYS A 25 -4.116 -12.932 6.400 1.00 71.34 H new ATOM 0 HZ1 LYS A 25 -2.804 -14.392 7.788 1.00 22.41 H new ATOM 0 HZ2 LYS A 25 -4.394 -14.977 7.670 1.00 22.41 H new ATOM 0 HZ3 LYS A 25 -3.149 -15.718 6.785 1.00 22.41 H new ATOM 425 N ARG A 26 -2.376 -12.881 0.285 1.00 73.10 N ATOM 426 CA ARG A 26 -1.130 -12.848 -0.473 1.00 31.11 C ATOM 427 C ARG A 26 -1.017 -11.575 -1.305 1.00 73.42 C ATOM 428 O ARG A 26 0.086 -11.087 -1.545 1.00 64.52 O ATOM 429 CB ARG A 26 -1.007 -14.084 -1.366 1.00 43.50 C ATOM 430 CG ARG A 26 -0.938 -15.383 -0.579 1.00 14.11 C ATOM 431 CD ARG A 26 0.198 -15.364 0.432 1.00 24.15 C ATOM 432 NE ARG A 26 1.512 -15.392 -0.209 1.00 71.34 N ATOM 433 CZ ARG A 26 2.655 -15.133 0.421 1.00 31.24 C ATOM 434 NH1 ARG A 26 2.653 -14.687 1.670 1.00 63.24 N ATOM 435 NH2 ARG A 26 3.807 -15.279 -0.218 1.00 3.12 N ATOM 0 H ARG A 26 -3.017 -13.625 0.010 1.00 73.10 H new ATOM 0 HA ARG A 26 -0.308 -12.853 0.243 1.00 31.11 H new ATOM 0 HB2 ARG A 26 -1.860 -14.122 -2.044 1.00 43.50 H new ATOM 0 HB3 ARG A 26 -0.113 -13.992 -1.983 1.00 43.50 H new ATOM 0 HG2 ARG A 26 -1.884 -15.547 -0.062 1.00 14.11 H new ATOM 0 HG3 ARG A 26 -0.801 -16.218 -1.266 1.00 14.11 H new ATOM 0 HD2 ARG A 26 0.117 -14.470 1.050 1.00 24.15 H new ATOM 0 HD3 ARG A 26 0.103 -16.221 1.098 1.00 24.15 H new ATOM 0 HE ARG A 26 1.555 -15.625 -1.201 1.00 71.34 H new ATOM 0 HH11 ARG A 26 1.769 -14.539 2.157 1.00 63.24 H new ATOM 0 HH12 ARG A 26 3.535 -14.492 2.143 1.00 63.24 H new ATOM 0 HH21 ARG A 26 3.815 -15.589 -1.190 1.00 3.12 H new ATOM 0 HH22 ARG A 26 4.685 -15.081 0.262 1.00 3.12 H new ATOM 449 N HIS A 27 -2.154 -11.033 -1.735 1.00 41.10 N ATOM 450 CA HIS A 27 -2.163 -9.757 -2.449 1.00 75.44 C ATOM 451 C HIS A 27 -1.687 -8.640 -1.528 1.00 73.30 C ATOM 452 O HIS A 27 -0.849 -7.819 -1.907 1.00 3.41 O ATOM 453 CB HIS A 27 -3.561 -9.429 -2.988 1.00 25.04 C ATOM 454 CG HIS A 27 -3.923 -10.168 -4.241 1.00 22.40 C ATOM 455 ND1 HIS A 27 -3.701 -9.621 -5.484 1.00 60.43 N ATOM 456 CD2 HIS A 27 -4.499 -11.385 -4.392 1.00 63.25 C ATOM 457 CE1 HIS A 27 -4.142 -10.507 -6.356 1.00 43.12 C ATOM 458 NE2 HIS A 27 -4.633 -11.590 -5.743 1.00 33.34 N ATOM 0 H HIS A 27 -3.074 -11.453 -1.603 1.00 41.10 H new ATOM 0 HA HIS A 27 -1.484 -9.842 -3.298 1.00 75.44 H new ATOM 0 HB2 HIS A 27 -4.298 -9.658 -2.218 1.00 25.04 H new ATOM 0 HB3 HIS A 27 -3.622 -8.358 -3.180 1.00 25.04 H new ATOM 0 HD2 HIS A 27 -4.795 -12.062 -3.604 1.00 63.25 H new ATOM 0 HE1 HIS A 27 -4.111 -10.375 -7.427 1.00 43.12 H new ATOM 0 HE2 HIS A 27 -5.032 -12.413 -6.194 1.00 33.34 H new ATOM 466 N TYR A 28 -2.212 -8.629 -0.306 1.00 1.22 N ATOM 467 CA TYR A 28 -1.816 -7.640 0.688 1.00 30.24 C ATOM 468 C TYR A 28 -0.368 -7.840 1.119 1.00 50.51 C ATOM 469 O TYR A 28 0.375 -6.872 1.276 1.00 63.24 O ATOM 470 CB TYR A 28 -2.736 -7.693 1.908 1.00 33.31 C ATOM 471 CG TYR A 28 -4.023 -6.923 1.732 1.00 34.04 C ATOM 472 CD1 TYR A 28 -4.092 -5.576 2.063 1.00 63.11 C ATOM 473 CD2 TYR A 28 -5.168 -7.539 1.244 1.00 43.33 C ATOM 474 CE1 TYR A 28 -5.263 -4.865 1.912 1.00 50.32 C ATOM 475 CE2 TYR A 28 -6.344 -6.833 1.090 1.00 11.33 C ATOM 476 CZ TYR A 28 -6.386 -5.495 1.425 1.00 63.20 C ATOM 477 OH TYR A 28 -7.553 -4.783 1.275 1.00 4.42 O ATOM 0 H TYR A 28 -2.913 -9.295 0.018 1.00 1.22 H new ATOM 0 HA TYR A 28 -1.905 -6.658 0.224 1.00 30.24 H new ATOM 0 HB2 TYR A 28 -2.973 -8.734 2.128 1.00 33.31 H new ATOM 0 HB3 TYR A 28 -2.202 -7.298 2.772 1.00 33.31 H new ATOM 0 HD1 TYR A 28 -3.213 -5.077 2.445 1.00 63.11 H new ATOM 0 HD2 TYR A 28 -5.138 -8.586 0.981 1.00 43.33 H new ATOM 0 HE1 TYR A 28 -5.299 -3.818 2.175 1.00 50.32 H new ATOM 0 HE2 TYR A 28 -7.227 -7.325 0.709 1.00 11.33 H new ATOM 0 HH TYR A 28 -7.496 -4.227 0.470 1.00 4.42 H new ATOM 487 N GLU A 29 0.037 -9.093 1.304 1.00 54.20 N ATOM 488 CA GLU A 29 1.411 -9.391 1.689 1.00 40.41 C ATOM 489 C GLU A 29 2.377 -9.015 0.570 1.00 54.12 C ATOM 490 O GLU A 29 3.474 -8.528 0.830 1.00 54.54 O ATOM 491 CB GLU A 29 1.577 -10.866 2.065 1.00 73.31 C ATOM 492 CG GLU A 29 0.753 -11.280 3.275 1.00 32.41 C ATOM 493 CD GLU A 29 1.156 -12.632 3.831 1.00 73.12 C ATOM 494 OE1 GLU A 29 0.739 -13.667 3.270 1.00 31.41 O ATOM 495 OE2 GLU A 29 1.893 -12.666 4.840 1.00 61.52 O ATOM 0 H GLU A 29 -0.562 -9.912 1.194 1.00 54.20 H new ATOM 0 HA GLU A 29 1.646 -8.792 2.569 1.00 40.41 H new ATOM 0 HB2 GLU A 29 1.293 -11.484 1.213 1.00 73.31 H new ATOM 0 HB3 GLU A 29 2.630 -11.065 2.267 1.00 73.31 H new ATOM 0 HG2 GLU A 29 0.859 -10.526 4.055 1.00 32.41 H new ATOM 0 HG3 GLU A 29 -0.301 -11.306 2.998 1.00 32.41 H new ATOM 502 N SER A 30 1.963 -9.231 -0.676 1.00 60.41 N ATOM 503 CA SER A 30 2.763 -8.829 -1.826 1.00 54.05 C ATOM 504 C SER A 30 2.932 -7.313 -1.829 1.00 72.35 C ATOM 505 O SER A 30 4.037 -6.794 -2.018 1.00 64.42 O ATOM 506 CB SER A 30 2.104 -9.295 -3.130 1.00 72.32 C ATOM 507 OG SER A 30 2.913 -8.999 -4.260 1.00 51.53 O ATOM 0 H SER A 30 1.079 -9.682 -0.913 1.00 60.41 H new ATOM 0 HA SER A 30 3.745 -9.297 -1.755 1.00 54.05 H new ATOM 0 HB2 SER A 30 1.922 -10.369 -3.083 1.00 72.32 H new ATOM 0 HB3 SER A 30 1.133 -8.812 -3.240 1.00 72.32 H new ATOM 0 HG SER A 30 2.465 -9.310 -5.074 1.00 51.53 H new ATOM 513 N ALA A 31 1.827 -6.610 -1.600 1.00 73.13 N ATOM 514 CA ALA A 31 1.847 -5.161 -1.494 1.00 25.15 C ATOM 515 C ALA A 31 2.773 -4.727 -0.367 1.00 43.03 C ATOM 516 O ALA A 31 3.594 -3.825 -0.538 1.00 23.35 O ATOM 517 CB ALA A 31 0.440 -4.634 -1.263 1.00 32.42 C ATOM 0 H ALA A 31 0.903 -7.026 -1.484 1.00 73.13 H new ATOM 0 HA ALA A 31 2.224 -4.745 -2.428 1.00 25.15 H new ATOM 0 HB1 ALA A 31 0.467 -3.547 -1.185 1.00 32.42 H new ATOM 0 HB2 ALA A 31 -0.198 -4.922 -2.098 1.00 32.42 H new ATOM 0 HB3 ALA A 31 0.041 -5.054 -0.340 1.00 32.42 H new ATOM 523 N TYR A 32 2.645 -5.395 0.777 1.00 53.32 N ATOM 524 CA TYR A 32 3.477 -5.112 1.936 1.00 21.03 C ATOM 525 C TYR A 32 4.954 -5.284 1.608 1.00 25.41 C ATOM 526 O TYR A 32 5.763 -4.446 1.982 1.00 61.11 O ATOM 527 CB TYR A 32 3.090 -6.013 3.114 1.00 21.02 C ATOM 528 CG TYR A 32 3.974 -5.829 4.330 1.00 30.11 C ATOM 529 CD1 TYR A 32 3.968 -4.637 5.043 1.00 75.34 C ATOM 530 CD2 TYR A 32 4.814 -6.847 4.763 1.00 64.04 C ATOM 531 CE1 TYR A 32 4.777 -4.462 6.150 1.00 13.01 C ATOM 532 CE2 TYR A 32 5.625 -6.681 5.871 1.00 22.24 C ATOM 533 CZ TYR A 32 5.604 -5.487 6.561 1.00 2.43 C ATOM 534 OH TYR A 32 6.416 -5.319 7.662 1.00 21.44 O ATOM 0 H TYR A 32 1.966 -6.142 0.923 1.00 53.32 H new ATOM 0 HA TYR A 32 3.308 -4.073 2.219 1.00 21.03 H new ATOM 0 HB2 TYR A 32 2.056 -5.810 3.392 1.00 21.02 H new ATOM 0 HB3 TYR A 32 3.136 -7.054 2.795 1.00 21.02 H new ATOM 0 HD1 TYR A 32 3.320 -3.833 4.727 1.00 75.34 H new ATOM 0 HD2 TYR A 32 4.834 -7.784 4.226 1.00 64.04 H new ATOM 0 HE1 TYR A 32 4.762 -3.527 6.691 1.00 13.01 H new ATOM 0 HE2 TYR A 32 6.272 -7.483 6.195 1.00 22.24 H new ATOM 0 HH TYR A 32 6.933 -6.137 7.815 1.00 21.44 H new ATOM 544 N LYS A 33 5.298 -6.365 0.907 1.00 4.23 N ATOM 545 CA LYS A 33 6.693 -6.636 0.549 1.00 11.13 C ATOM 546 C LYS A 33 7.323 -5.458 -0.162 1.00 61.11 C ATOM 547 O LYS A 33 8.394 -4.992 0.218 1.00 74.11 O ATOM 548 CB LYS A 33 6.811 -7.857 -0.358 1.00 64.03 C ATOM 549 CG LYS A 33 6.438 -9.157 0.313 1.00 1.21 C ATOM 550 CD LYS A 33 6.693 -10.346 -0.602 1.00 33.02 C ATOM 551 CE LYS A 33 5.999 -10.177 -1.944 1.00 74.23 C ATOM 552 NZ LYS A 33 6.309 -11.289 -2.883 1.00 12.13 N ATOM 0 H LYS A 33 4.634 -7.065 0.576 1.00 4.23 H new ATOM 0 HA LYS A 33 7.217 -6.822 1.487 1.00 11.13 H new ATOM 0 HB2 LYS A 33 6.172 -7.713 -1.229 1.00 64.03 H new ATOM 0 HB3 LYS A 33 7.836 -7.929 -0.723 1.00 64.03 H new ATOM 0 HG2 LYS A 33 7.013 -9.273 1.231 1.00 1.21 H new ATOM 0 HG3 LYS A 33 5.386 -9.133 0.597 1.00 1.21 H new ATOM 0 HD2 LYS A 33 7.765 -10.462 -0.758 1.00 33.02 H new ATOM 0 HD3 LYS A 33 6.340 -11.258 -0.121 1.00 33.02 H new ATOM 0 HE2 LYS A 33 4.921 -10.125 -1.789 1.00 74.23 H new ATOM 0 HE3 LYS A 33 6.303 -9.231 -2.391 1.00 74.23 H new ATOM 0 HZ1 LYS A 33 5.814 -11.131 -3.784 1.00 12.13 H new ATOM 0 HZ2 LYS A 33 7.334 -11.324 -3.053 1.00 12.13 H new ATOM 0 HZ3 LYS A 33 5.995 -12.190 -2.469 1.00 12.13 H new ATOM 566 N HIS A 34 6.655 -4.976 -1.198 1.00 61.15 N ATOM 567 CA HIS A 34 7.216 -3.913 -2.007 1.00 1.21 C ATOM 568 C HIS A 34 7.327 -2.613 -1.213 1.00 72.42 C ATOM 569 O HIS A 34 8.273 -1.842 -1.389 1.00 34.41 O ATOM 570 CB HIS A 34 6.397 -3.703 -3.283 1.00 25.31 C ATOM 571 CG HIS A 34 6.529 -4.825 -4.267 1.00 23.20 C ATOM 572 ND1 HIS A 34 7.508 -4.889 -5.233 1.00 73.34 N ATOM 573 CD2 HIS A 34 5.782 -5.946 -4.419 1.00 4.30 C ATOM 574 CE1 HIS A 34 7.335 -6.021 -5.922 1.00 71.43 C ATOM 575 NE2 HIS A 34 6.299 -6.701 -5.470 1.00 44.22 N ATOM 0 H HIS A 34 5.735 -5.301 -1.494 1.00 61.15 H new ATOM 0 HA HIS A 34 8.223 -4.215 -2.297 1.00 1.21 H new ATOM 0 HB2 HIS A 34 5.347 -3.585 -3.016 1.00 25.31 H new ATOM 0 HB3 HIS A 34 6.711 -2.774 -3.759 1.00 25.31 H new ATOM 0 HD2 HIS A 34 4.923 -6.212 -3.821 1.00 4.30 H new ATOM 0 HE1 HIS A 34 7.962 -6.338 -6.742 1.00 71.43 H new ATOM 0 HE2 HIS A 34 5.949 -7.594 -5.818 1.00 44.22 H new ATOM 583 N ILE A 35 6.366 -2.378 -0.328 1.00 40.24 N ATOM 584 CA ILE A 35 6.410 -1.215 0.554 1.00 13.42 C ATOM 585 C ILE A 35 7.515 -1.393 1.593 1.00 63.40 C ATOM 586 O ILE A 35 8.252 -0.464 1.903 1.00 0.33 O ATOM 587 CB ILE A 35 5.054 -0.991 1.259 1.00 11.52 C ATOM 588 CG1 ILE A 35 3.956 -0.768 0.217 1.00 3.04 C ATOM 589 CG2 ILE A 35 5.131 0.195 2.209 1.00 64.11 C ATOM 590 CD1 ILE A 35 2.566 -0.654 0.805 1.00 13.44 C ATOM 0 H ILE A 35 5.548 -2.974 -0.201 1.00 40.24 H new ATOM 0 HA ILE A 35 6.621 -0.336 -0.056 1.00 13.42 H new ATOM 0 HB ILE A 35 4.814 -1.879 1.843 1.00 11.52 H new ATOM 0 HG12 ILE A 35 4.179 0.141 -0.342 1.00 3.04 H new ATOM 0 HG13 ILE A 35 3.972 -1.593 -0.495 1.00 3.04 H new ATOM 0 HG21 ILE A 35 4.165 0.335 2.695 1.00 64.11 H new ATOM 0 HG22 ILE A 35 5.894 0.007 2.965 1.00 64.11 H new ATOM 0 HG23 ILE A 35 5.389 1.094 1.649 1.00 64.11 H new ATOM 0 HD11 ILE A 35 1.844 -0.497 0.004 1.00 13.44 H new ATOM 0 HD12 ILE A 35 2.321 -1.572 1.340 1.00 13.44 H new ATOM 0 HD13 ILE A 35 2.531 0.189 1.495 1.00 13.44 H new ATOM 602 N LYS A 36 7.624 -2.612 2.097 1.00 30.41 N ATOM 603 CA LYS A 36 8.671 -3.011 3.031 1.00 4.23 C ATOM 604 C LYS A 36 10.051 -2.871 2.394 1.00 60.34 C ATOM 605 O LYS A 36 11.052 -2.718 3.086 1.00 12.04 O ATOM 606 CB LYS A 36 8.410 -4.461 3.470 1.00 44.24 C ATOM 607 CG LYS A 36 9.552 -5.144 4.204 1.00 31.24 C ATOM 608 CD LYS A 36 9.239 -6.620 4.412 1.00 63.52 C ATOM 609 CE LYS A 36 10.441 -7.403 4.917 1.00 64.32 C ATOM 610 NZ LYS A 36 10.826 -7.023 6.302 1.00 22.53 N ATOM 0 H LYS A 36 6.978 -3.366 1.866 1.00 30.41 H new ATOM 0 HA LYS A 36 8.652 -2.358 3.903 1.00 4.23 H new ATOM 0 HB2 LYS A 36 7.530 -4.473 4.113 1.00 44.24 H new ATOM 0 HB3 LYS A 36 8.167 -5.050 2.586 1.00 44.24 H new ATOM 0 HG2 LYS A 36 10.475 -5.038 3.634 1.00 31.24 H new ATOM 0 HG3 LYS A 36 9.715 -4.661 5.167 1.00 31.24 H new ATOM 0 HD2 LYS A 36 8.420 -6.718 5.124 1.00 63.52 H new ATOM 0 HD3 LYS A 36 8.897 -7.052 3.472 1.00 63.52 H new ATOM 0 HE2 LYS A 36 10.216 -8.469 4.885 1.00 64.32 H new ATOM 0 HE3 LYS A 36 11.286 -7.236 4.249 1.00 64.32 H new ATOM 0 HZ1 LYS A 36 11.649 -7.584 6.600 1.00 22.53 H new ATOM 0 HZ2 LYS A 36 11.068 -6.012 6.330 1.00 22.53 H new ATOM 0 HZ3 LYS A 36 10.031 -7.207 6.946 1.00 22.53 H new ATOM 624 N ASP A 37 10.103 -2.961 1.077 1.00 71.15 N ATOM 625 CA ASP A 37 11.353 -2.790 0.351 1.00 72.42 C ATOM 626 C ASP A 37 11.683 -1.310 0.154 1.00 2.41 C ATOM 627 O ASP A 37 12.806 -0.876 0.410 1.00 52.05 O ATOM 628 CB ASP A 37 11.276 -3.487 -1.009 1.00 51.01 C ATOM 629 CG ASP A 37 12.543 -3.321 -1.822 1.00 51.33 C ATOM 630 OD1 ASP A 37 13.504 -4.086 -1.598 1.00 13.21 O ATOM 631 OD2 ASP A 37 12.578 -2.439 -2.702 1.00 61.35 O ATOM 0 H ASP A 37 9.294 -3.152 0.486 1.00 71.15 H new ATOM 0 HA ASP A 37 12.147 -3.242 0.945 1.00 72.42 H new ATOM 0 HB2 ASP A 37 11.082 -4.549 -0.858 1.00 51.01 H new ATOM 0 HB3 ASP A 37 10.433 -3.086 -1.571 1.00 51.01 H new ATOM 636 N HIS A 38 10.698 -0.540 -0.292 1.00 31.11 N ATOM 637 CA HIS A 38 10.925 0.858 -0.661 1.00 72.10 C ATOM 638 C HIS A 38 10.789 1.812 0.528 1.00 74.31 C ATOM 639 O HIS A 38 11.652 2.664 0.748 1.00 13.32 O ATOM 640 CB HIS A 38 9.967 1.280 -1.781 1.00 22.21 C ATOM 641 CG HIS A 38 10.250 0.620 -3.098 1.00 11.30 C ATOM 642 ND1 HIS A 38 10.651 1.312 -4.215 1.00 61.04 N ATOM 643 CD2 HIS A 38 10.173 -0.678 -3.474 1.00 12.31 C ATOM 644 CE1 HIS A 38 10.812 0.473 -5.219 1.00 33.23 C ATOM 645 NE2 HIS A 38 10.530 -0.746 -4.797 1.00 33.43 N ATOM 0 H HIS A 38 9.735 -0.856 -0.408 1.00 31.11 H new ATOM 0 HA HIS A 38 11.954 0.925 -1.014 1.00 72.10 H new ATOM 0 HB2 HIS A 38 8.946 1.047 -1.480 1.00 22.21 H new ATOM 0 HB3 HIS A 38 10.023 2.361 -1.907 1.00 22.21 H new ATOM 0 HD2 HIS A 38 9.883 -1.508 -2.847 1.00 12.31 H new ATOM 0 HE1 HIS A 38 11.122 0.738 -6.219 1.00 33.23 H new ATOM 0 HE2 HIS A 38 10.571 -1.596 -5.360 1.00 33.43 H new ATOM 654 N PHE A 39 9.715 1.670 1.288 1.00 34.21 N ATOM 655 CA PHE A 39 9.410 2.606 2.366 1.00 64.10 C ATOM 656 C PHE A 39 9.655 1.966 3.729 1.00 22.03 C ATOM 657 O PHE A 39 8.720 1.669 4.472 1.00 52.34 O ATOM 658 CB PHE A 39 7.961 3.090 2.259 1.00 3.42 C ATOM 659 CG PHE A 39 7.645 3.761 0.951 1.00 40.55 C ATOM 660 CD1 PHE A 39 8.147 5.019 0.668 1.00 12.13 C ATOM 661 CD2 PHE A 39 6.851 3.133 0.003 1.00 34.11 C ATOM 662 CE1 PHE A 39 7.866 5.644 -0.533 1.00 12.21 C ATOM 663 CE2 PHE A 39 6.567 3.750 -1.201 1.00 74.24 C ATOM 664 CZ PHE A 39 7.075 5.009 -1.469 1.00 24.35 C ATOM 0 H PHE A 39 9.037 0.916 1.181 1.00 34.21 H new ATOM 0 HA PHE A 39 10.075 3.464 2.268 1.00 64.10 H new ATOM 0 HB2 PHE A 39 7.292 2.240 2.392 1.00 3.42 H new ATOM 0 HB3 PHE A 39 7.758 3.786 3.073 1.00 3.42 H new ATOM 0 HD1 PHE A 39 8.768 5.520 1.396 1.00 12.13 H new ATOM 0 HD2 PHE A 39 6.450 2.151 0.208 1.00 34.11 H new ATOM 0 HE1 PHE A 39 8.264 6.627 -0.738 1.00 12.21 H new ATOM 0 HE2 PHE A 39 5.949 3.250 -1.932 1.00 74.24 H new ATOM 0 HZ PHE A 39 6.853 5.494 -2.408 1.00 24.35 H new ATOM 674 N ARG A 40 10.923 1.757 4.041 1.00 20.41 N ATOM 675 CA ARG A 40 11.322 1.069 5.262 1.00 54.00 C ATOM 676 C ARG A 40 11.313 1.992 6.474 1.00 34.33 C ATOM 677 O ARG A 40 10.970 1.568 7.579 1.00 13.23 O ATOM 678 CB ARG A 40 12.702 0.446 5.067 1.00 72.42 C ATOM 679 CG ARG A 40 12.725 -0.510 3.894 1.00 51.53 C ATOM 680 CD ARG A 40 14.002 -1.323 3.811 1.00 72.23 C ATOM 681 NE ARG A 40 13.790 -2.510 2.981 1.00 71.13 N ATOM 682 CZ ARG A 40 14.746 -3.169 2.329 1.00 10.22 C ATOM 683 NH1 ARG A 40 16.007 -2.775 2.401 1.00 0.41 N ATOM 684 NH2 ARG A 40 14.432 -4.233 1.601 1.00 25.22 N ATOM 0 H ARG A 40 11.704 2.058 3.458 1.00 20.41 H new ATOM 0 HA ARG A 40 10.591 0.285 5.461 1.00 54.00 H new ATOM 0 HB2 ARG A 40 13.438 1.234 4.908 1.00 72.42 H new ATOM 0 HB3 ARG A 40 12.993 -0.084 5.974 1.00 72.42 H new ATOM 0 HG2 ARG A 40 11.875 -1.188 3.969 1.00 51.53 H new ATOM 0 HG3 ARG A 40 12.601 0.055 2.970 1.00 51.53 H new ATOM 0 HD2 ARG A 40 14.803 -0.715 3.391 1.00 72.23 H new ATOM 0 HD3 ARG A 40 14.318 -1.621 4.811 1.00 72.23 H new ATOM 0 HE ARG A 40 12.836 -2.860 2.895 1.00 71.13 H new ATOM 0 HH11 ARG A 40 16.255 -1.959 2.960 1.00 0.41 H new ATOM 0 HH12 ARG A 40 16.731 -3.287 1.897 1.00 0.41 H new ATOM 0 HH21 ARG A 40 13.462 -4.543 1.543 1.00 25.22 H new ATOM 0 HH22 ARG A 40 15.161 -4.741 1.100 1.00 25.22 H new ATOM 698 N HIS A 41 11.690 3.247 6.280 1.00 34.24 N ATOM 699 CA HIS A 41 11.696 4.215 7.373 1.00 21.21 C ATOM 700 C HIS A 41 11.067 5.528 6.944 1.00 32.23 C ATOM 701 O HIS A 41 11.250 6.560 7.588 1.00 51.11 O ATOM 702 CB HIS A 41 13.115 4.454 7.893 1.00 35.30 C ATOM 703 CG HIS A 41 13.491 3.549 9.026 1.00 52.11 C ATOM 704 ND1 HIS A 41 13.438 3.936 10.349 1.00 41.43 N ATOM 705 CD2 HIS A 41 13.922 2.268 9.032 1.00 3.12 C ATOM 706 CE1 HIS A 41 13.816 2.931 11.114 1.00 64.50 C ATOM 707 NE2 HIS A 41 14.114 1.908 10.339 1.00 22.42 N ATOM 0 H HIS A 41 11.995 3.620 5.381 1.00 34.24 H new ATOM 0 HA HIS A 41 11.100 3.795 8.183 1.00 21.21 H new ATOM 0 HB2 HIS A 41 13.822 4.314 7.076 1.00 35.30 H new ATOM 0 HB3 HIS A 41 13.205 5.490 8.219 1.00 35.30 H new ATOM 0 HD2 HIS A 41 14.085 1.644 8.166 1.00 3.12 H new ATOM 0 HE1 HIS A 41 13.872 2.944 12.192 1.00 64.50 H new ATOM 0 HE2 HIS A 41 14.436 0.995 10.661 1.00 22.42 H new ATOM 716 N LYS A 42 10.318 5.485 5.857 1.00 4.24 N ATOM 717 CA LYS A 42 9.581 6.650 5.404 1.00 30.03 C ATOM 718 C LYS A 42 8.228 6.697 6.099 1.00 71.02 C ATOM 719 O LYS A 42 7.419 5.773 5.976 1.00 34.43 O ATOM 720 CB LYS A 42 9.424 6.627 3.881 1.00 33.20 C ATOM 721 CG LYS A 42 8.618 7.791 3.322 1.00 32.10 C ATOM 722 CD LYS A 42 8.896 7.994 1.845 1.00 63.22 C ATOM 723 CE LYS A 42 10.292 8.538 1.614 1.00 64.52 C ATOM 724 NZ LYS A 42 10.351 10.008 1.804 1.00 53.44 N ATOM 0 H LYS A 42 10.204 4.657 5.272 1.00 4.24 H new ATOM 0 HA LYS A 42 10.135 7.552 5.663 1.00 30.03 H new ATOM 0 HB2 LYS A 42 10.414 6.632 3.424 1.00 33.20 H new ATOM 0 HB3 LYS A 42 8.943 5.693 3.590 1.00 33.20 H new ATOM 0 HG2 LYS A 42 7.554 7.605 3.472 1.00 32.10 H new ATOM 0 HG3 LYS A 42 8.863 8.702 3.869 1.00 32.10 H new ATOM 0 HD2 LYS A 42 8.781 7.047 1.318 1.00 63.22 H new ATOM 0 HD3 LYS A 42 8.162 8.682 1.426 1.00 63.22 H new ATOM 0 HE2 LYS A 42 10.988 8.055 2.300 1.00 64.52 H new ATOM 0 HE3 LYS A 42 10.616 8.289 0.603 1.00 64.52 H new ATOM 0 HZ1 LYS A 42 11.341 10.303 1.924 1.00 53.44 H new ATOM 0 HZ2 LYS A 42 9.947 10.482 0.971 1.00 53.44 H new ATOM 0 HZ3 LYS A 42 9.807 10.271 2.650 1.00 53.44 H new ATOM 738 N LEU A 43 8.011 7.765 6.858 1.00 62.13 N ATOM 739 CA LEU A 43 6.788 7.930 7.633 1.00 21.35 C ATOM 740 C LEU A 43 5.563 8.005 6.731 1.00 24.51 C ATOM 741 O LEU A 43 5.662 8.355 5.555 1.00 25.21 O ATOM 742 CB LEU A 43 6.856 9.199 8.490 1.00 53.55 C ATOM 743 CG LEU A 43 7.977 9.247 9.529 1.00 71.35 C ATOM 744 CD1 LEU A 43 7.933 10.565 10.283 1.00 34.13 C ATOM 745 CD2 LEU A 43 7.869 8.077 10.496 1.00 10.45 C ATOM 0 H LEU A 43 8.673 8.535 6.953 1.00 62.13 H new ATOM 0 HA LEU A 43 6.697 7.057 8.279 1.00 21.35 H new ATOM 0 HB2 LEU A 43 6.966 10.056 7.826 1.00 53.55 H new ATOM 0 HB3 LEU A 43 5.903 9.316 9.007 1.00 53.55 H new ATOM 0 HG LEU A 43 8.932 9.170 9.010 1.00 71.35 H new ATOM 0 HD11 LEU A 43 8.735 10.589 11.021 1.00 34.13 H new ATOM 0 HD12 LEU A 43 8.060 11.390 9.582 1.00 34.13 H new ATOM 0 HD13 LEU A 43 6.972 10.663 10.789 1.00 34.13 H new ATOM 0 HD21 LEU A 43 8.677 8.132 11.226 1.00 10.45 H new ATOM 0 HD22 LEU A 43 6.910 8.119 11.012 1.00 10.45 H new ATOM 0 HD23 LEU A 43 7.943 7.140 9.943 1.00 10.45 H new ATOM 757 N LEU A 44 4.412 7.692 7.309 1.00 11.42 N ATOM 758 CA LEU A 44 3.131 7.781 6.618 1.00 65.33 C ATOM 759 C LEU A 44 2.909 9.194 6.072 1.00 13.40 C ATOM 760 O LEU A 44 2.289 9.384 5.029 1.00 64.51 O ATOM 761 CB LEU A 44 2.007 7.412 7.594 1.00 13.51 C ATOM 762 CG LEU A 44 0.601 7.351 6.996 1.00 22.25 C ATOM 763 CD1 LEU A 44 0.476 6.180 6.036 1.00 34.42 C ATOM 764 CD2 LEU A 44 -0.437 7.253 8.100 1.00 53.31 C ATOM 0 H LEU A 44 4.339 7.368 8.273 1.00 11.42 H new ATOM 0 HA LEU A 44 3.130 7.088 5.777 1.00 65.33 H new ATOM 0 HB2 LEU A 44 2.237 6.441 8.034 1.00 13.51 H new ATOM 0 HB3 LEU A 44 2.005 8.138 8.407 1.00 13.51 H new ATOM 0 HG LEU A 44 0.424 8.269 6.435 1.00 22.25 H new ATOM 0 HD11 LEU A 44 -0.532 6.155 5.622 1.00 34.42 H new ATOM 0 HD12 LEU A 44 1.198 6.294 5.227 1.00 34.42 H new ATOM 0 HD13 LEU A 44 0.672 5.250 6.569 1.00 34.42 H new ATOM 0 HD21 LEU A 44 -1.433 7.210 7.660 1.00 53.31 H new ATOM 0 HD22 LEU A 44 -0.260 6.351 8.686 1.00 53.31 H new ATOM 0 HD23 LEU A 44 -0.363 8.127 8.747 1.00 53.31 H new ATOM 776 N LYS A 45 3.442 10.180 6.785 1.00 22.54 N ATOM 777 CA LYS A 45 3.289 11.581 6.406 1.00 3.40 C ATOM 778 C LYS A 45 4.396 12.021 5.455 1.00 60.02 C ATOM 779 O LYS A 45 4.347 13.114 4.893 1.00 70.11 O ATOM 780 CB LYS A 45 3.328 12.462 7.654 1.00 31.51 C ATOM 781 CG LYS A 45 4.636 12.347 8.427 1.00 61.03 C ATOM 782 CD LYS A 45 4.706 13.345 9.569 1.00 40.12 C ATOM 783 CE LYS A 45 4.761 14.784 9.066 1.00 71.04 C ATOM 784 NZ LYS A 45 6.026 15.084 8.341 1.00 12.21 N ATOM 0 H LYS A 45 3.988 10.034 7.634 1.00 22.54 H new ATOM 0 HA LYS A 45 2.330 11.687 5.899 1.00 3.40 H new ATOM 0 HB2 LYS A 45 3.175 13.501 7.363 1.00 31.51 H new ATOM 0 HB3 LYS A 45 2.501 12.190 8.309 1.00 31.51 H new ATOM 0 HG2 LYS A 45 4.737 11.336 8.821 1.00 61.03 H new ATOM 0 HG3 LYS A 45 5.474 12.511 7.750 1.00 61.03 H new ATOM 0 HD2 LYS A 45 3.837 13.219 10.214 1.00 40.12 H new ATOM 0 HD3 LYS A 45 5.587 13.139 10.177 1.00 40.12 H new ATOM 0 HE2 LYS A 45 3.914 14.967 8.405 1.00 71.04 H new ATOM 0 HE3 LYS A 45 4.659 15.465 9.911 1.00 71.04 H new ATOM 0 HZ1 LYS A 45 6.093 16.107 8.168 1.00 12.21 H new ATOM 0 HZ2 LYS A 45 6.837 14.777 8.915 1.00 12.21 H new ATOM 0 HZ3 LYS A 45 6.034 14.578 7.432 1.00 12.21 H new ATOM 798 N ASP A 46 5.393 11.166 5.281 1.00 41.45 N ATOM 799 CA ASP A 46 6.586 11.525 4.523 1.00 55.31 C ATOM 800 C ASP A 46 6.532 10.913 3.128 1.00 54.13 C ATOM 801 O ASP A 46 7.511 10.935 2.378 1.00 31.31 O ATOM 802 CB ASP A 46 7.837 11.059 5.275 1.00 33.43 C ATOM 803 CG ASP A 46 9.128 11.596 4.684 1.00 1.00 C ATOM 804 OD1 ASP A 46 9.280 12.831 4.594 1.00 52.51 O ATOM 805 OD2 ASP A 46 10.003 10.778 4.316 1.00 65.45 O ATOM 0 H ASP A 46 5.401 10.217 5.654 1.00 41.45 H new ATOM 0 HA ASP A 46 6.628 12.609 4.414 1.00 55.31 H new ATOM 0 HB2 ASP A 46 7.764 11.373 6.316 1.00 33.43 H new ATOM 0 HB3 ASP A 46 7.870 9.969 5.272 1.00 33.43 H new ATOM 810 N ILE A 47 5.375 10.370 2.783 1.00 61.21 N ATOM 811 CA ILE A 47 5.176 9.778 1.474 1.00 33.12 C ATOM 812 C ILE A 47 4.969 10.865 0.428 1.00 74.31 C ATOM 813 O ILE A 47 3.870 11.402 0.270 1.00 45.30 O ATOM 814 CB ILE A 47 3.975 8.807 1.450 1.00 33.12 C ATOM 815 CG1 ILE A 47 4.145 7.723 2.520 1.00 41.43 C ATOM 816 CG2 ILE A 47 3.824 8.174 0.071 1.00 51.13 C ATOM 817 CD1 ILE A 47 5.368 6.855 2.322 1.00 64.44 C ATOM 0 H ILE A 47 4.559 10.328 3.394 1.00 61.21 H new ATOM 0 HA ILE A 47 6.075 9.207 1.242 1.00 33.12 H new ATOM 0 HB ILE A 47 3.070 9.373 1.669 1.00 33.12 H new ATOM 0 HG12 ILE A 47 4.203 8.198 3.499 1.00 41.43 H new ATOM 0 HG13 ILE A 47 3.258 7.089 2.526 1.00 41.43 H new ATOM 0 HG21 ILE A 47 2.973 7.493 0.074 1.00 51.13 H new ATOM 0 HG22 ILE A 47 3.661 8.955 -0.672 1.00 51.13 H new ATOM 0 HG23 ILE A 47 4.730 7.621 -0.177 1.00 51.13 H new ATOM 0 HD11 ILE A 47 5.420 6.112 3.118 1.00 64.44 H new ATOM 0 HD12 ILE A 47 5.304 6.350 1.358 1.00 64.44 H new ATOM 0 HD13 ILE A 47 6.263 7.476 2.347 1.00 64.44 H new ATOM 829 N LYS A 48 6.045 11.213 -0.253 1.00 53.14 N ATOM 830 CA LYS A 48 5.980 12.158 -1.349 1.00 14.12 C ATOM 831 C LYS A 48 5.265 11.503 -2.525 1.00 13.34 C ATOM 832 O LYS A 48 5.599 10.381 -2.904 1.00 2.00 O ATOM 833 CB LYS A 48 7.397 12.601 -1.734 1.00 45.30 C ATOM 834 CG LYS A 48 7.454 13.596 -2.879 1.00 42.54 C ATOM 835 CD LYS A 48 8.863 14.139 -3.095 1.00 54.41 C ATOM 836 CE LYS A 48 9.223 15.244 -2.103 1.00 3.02 C ATOM 837 NZ LYS A 48 9.339 14.755 -0.701 1.00 63.45 N ATOM 0 H LYS A 48 6.980 10.852 -0.064 1.00 53.14 H new ATOM 0 HA LYS A 48 5.421 13.045 -1.051 1.00 14.12 H new ATOM 0 HB2 LYS A 48 7.876 13.043 -0.860 1.00 45.30 H new ATOM 0 HB3 LYS A 48 7.979 11.720 -2.005 1.00 45.30 H new ATOM 0 HG2 LYS A 48 7.106 13.116 -3.794 1.00 42.54 H new ATOM 0 HG3 LYS A 48 6.774 14.423 -2.675 1.00 42.54 H new ATOM 0 HD2 LYS A 48 9.581 13.324 -3.002 1.00 54.41 H new ATOM 0 HD3 LYS A 48 8.948 14.525 -4.111 1.00 54.41 H new ATOM 0 HE2 LYS A 48 10.167 15.699 -2.402 1.00 3.02 H new ATOM 0 HE3 LYS A 48 8.464 16.025 -2.147 1.00 3.02 H new ATOM 0 HZ1 LYS A 48 9.980 15.377 -0.168 1.00 63.45 H new ATOM 0 HZ2 LYS A 48 8.400 14.760 -0.253 1.00 63.45 H new ATOM 0 HZ3 LYS A 48 9.718 13.786 -0.701 1.00 63.45 H new ATOM 851 N ARG A 49 4.272 12.187 -3.086 1.00 54.41 N ATOM 852 CA ARG A 49 3.464 11.607 -4.157 1.00 41.52 C ATOM 853 C ARG A 49 4.323 11.287 -5.375 1.00 74.32 C ATOM 854 O ARG A 49 4.006 10.388 -6.151 1.00 13.23 O ATOM 855 CB ARG A 49 2.299 12.529 -4.538 1.00 0.42 C ATOM 856 CG ARG A 49 2.700 13.848 -5.171 1.00 44.22 C ATOM 857 CD ARG A 49 1.477 14.711 -5.420 1.00 73.41 C ATOM 858 NE ARG A 49 1.798 15.981 -6.068 1.00 51.35 N ATOM 859 CZ ARG A 49 1.340 17.159 -5.653 1.00 1.51 C ATOM 860 NH1 ARG A 49 0.612 17.237 -4.543 1.00 33.42 N ATOM 861 NH2 ARG A 49 1.626 18.258 -6.339 1.00 24.14 N ATOM 0 H ARG A 49 4.008 13.136 -2.821 1.00 54.41 H new ATOM 0 HA ARG A 49 3.042 10.674 -3.784 1.00 41.52 H new ATOM 0 HB2 ARG A 49 1.646 11.996 -5.229 1.00 0.42 H new ATOM 0 HB3 ARG A 49 1.713 12.737 -3.643 1.00 0.42 H new ATOM 0 HG2 ARG A 49 3.397 14.374 -4.519 1.00 44.22 H new ATOM 0 HG3 ARG A 49 3.220 13.664 -6.111 1.00 44.22 H new ATOM 0 HD2 ARG A 49 0.771 14.160 -6.041 1.00 73.41 H new ATOM 0 HD3 ARG A 49 0.979 14.909 -4.471 1.00 73.41 H new ATOM 0 HE ARG A 49 2.408 15.963 -6.885 1.00 51.35 H new ATOM 0 HH11 ARG A 49 0.404 16.393 -4.009 1.00 33.42 H new ATOM 0 HH12 ARG A 49 0.261 18.141 -4.226 1.00 33.42 H new ATOM 0 HH21 ARG A 49 2.196 18.199 -7.183 1.00 24.14 H new ATOM 0 HH22 ARG A 49 1.276 19.162 -6.023 1.00 24.14 H new ATOM 875 N THR A 50 5.422 12.014 -5.529 1.00 51.51 N ATOM 876 CA THR A 50 6.374 11.732 -6.584 1.00 4.01 C ATOM 877 C THR A 50 7.037 10.370 -6.352 1.00 25.14 C ATOM 878 O THR A 50 7.248 9.603 -7.293 1.00 4.34 O ATOM 879 CB THR A 50 7.446 12.836 -6.666 1.00 64.43 C ATOM 880 OG1 THR A 50 6.810 14.117 -6.774 1.00 43.53 O ATOM 881 CG2 THR A 50 8.354 12.621 -7.863 1.00 65.33 C ATOM 0 H THR A 50 5.672 12.803 -4.934 1.00 51.51 H new ATOM 0 HA THR A 50 5.834 11.706 -7.531 1.00 4.01 H new ATOM 0 HB THR A 50 8.050 12.797 -5.760 1.00 64.43 H new ATOM 0 HG1 THR A 50 7.493 14.818 -6.824 1.00 43.53 H new ATOM 0 HG21 THR A 50 9.102 13.413 -7.899 1.00 65.33 H new ATOM 0 HG22 THR A 50 8.852 11.655 -7.773 1.00 65.33 H new ATOM 0 HG23 THR A 50 7.761 12.640 -8.777 1.00 65.33 H new ATOM 889 N GLU A 51 7.325 10.061 -5.089 1.00 3.40 N ATOM 890 CA GLU A 51 7.923 8.777 -4.731 1.00 21.11 C ATOM 891 C GLU A 51 6.908 7.659 -4.895 1.00 41.24 C ATOM 892 O GLU A 51 7.258 6.538 -5.261 1.00 63.02 O ATOM 893 CB GLU A 51 8.449 8.792 -3.293 1.00 40.10 C ATOM 894 CG GLU A 51 9.616 9.738 -3.080 1.00 52.53 C ATOM 895 CD GLU A 51 10.160 9.700 -1.667 1.00 30.45 C ATOM 896 OE1 GLU A 51 9.606 10.403 -0.790 1.00 3.20 O ATOM 897 OE2 GLU A 51 11.158 8.986 -1.429 1.00 64.04 O ATOM 0 H GLU A 51 7.154 10.682 -4.298 1.00 3.40 H new ATOM 0 HA GLU A 51 8.764 8.602 -5.402 1.00 21.11 H new ATOM 0 HB2 GLU A 51 7.638 9.073 -2.622 1.00 40.10 H new ATOM 0 HB3 GLU A 51 8.756 7.783 -3.017 1.00 40.10 H new ATOM 0 HG2 GLU A 51 10.414 9.484 -3.777 1.00 52.53 H new ATOM 0 HG3 GLU A 51 9.300 10.754 -3.314 1.00 52.53 H new ATOM 904 N TYR A 52 5.649 7.971 -4.628 1.00 12.13 N ATOM 905 CA TYR A 52 4.584 6.999 -4.783 1.00 32.15 C ATOM 906 C TYR A 52 4.388 6.665 -6.259 1.00 4.42 C ATOM 907 O TYR A 52 4.193 5.504 -6.622 1.00 42.11 O ATOM 908 CB TYR A 52 3.281 7.518 -4.174 1.00 3.30 C ATOM 909 CG TYR A 52 2.177 6.488 -4.186 1.00 41.12 C ATOM 910 CD1 TYR A 52 2.210 5.406 -3.319 1.00 34.42 C ATOM 911 CD2 TYR A 52 1.112 6.590 -5.069 1.00 23.40 C ATOM 912 CE1 TYR A 52 1.213 4.452 -3.330 1.00 1.04 C ATOM 913 CE2 TYR A 52 0.109 5.640 -5.086 1.00 72.34 C ATOM 914 CZ TYR A 52 0.164 4.573 -4.215 1.00 24.31 C ATOM 915 OH TYR A 52 -0.831 3.624 -4.228 1.00 23.41 O ATOM 0 H TYR A 52 5.343 8.888 -4.304 1.00 12.13 H new ATOM 0 HA TYR A 52 4.867 6.090 -4.252 1.00 32.15 H new ATOM 0 HB2 TYR A 52 3.466 7.833 -3.147 1.00 3.30 H new ATOM 0 HB3 TYR A 52 2.954 8.400 -4.725 1.00 3.30 H new ATOM 0 HD1 TYR A 52 3.030 5.308 -2.623 1.00 34.42 H new ATOM 0 HD2 TYR A 52 1.066 7.424 -5.753 1.00 23.40 H new ATOM 0 HE1 TYR A 52 1.255 3.615 -2.649 1.00 1.04 H new ATOM 0 HE2 TYR A 52 -0.714 5.733 -5.779 1.00 72.34 H new ATOM 0 HH TYR A 52 -1.610 3.973 -4.710 1.00 23.41 H new ATOM 925 N GLN A 53 4.447 7.686 -7.107 1.00 31.24 N ATOM 926 CA GLN A 53 4.374 7.479 -8.548 1.00 5.43 C ATOM 927 C GLN A 53 5.561 6.637 -9.018 1.00 41.31 C ATOM 928 O GLN A 53 5.407 5.760 -9.867 1.00 75.34 O ATOM 929 CB GLN A 53 4.328 8.819 -9.290 1.00 14.10 C ATOM 930 CG GLN A 53 4.152 8.687 -10.800 1.00 61.22 C ATOM 931 CD GLN A 53 2.893 7.923 -11.189 1.00 14.44 C ATOM 932 OE1 GLN A 53 1.822 8.507 -11.357 1.00 1.21 O ATOM 933 NE2 GLN A 53 3.019 6.614 -11.356 1.00 73.32 N ATOM 0 H GLN A 53 4.545 8.661 -6.823 1.00 31.24 H new ATOM 0 HA GLN A 53 3.454 6.941 -8.776 1.00 5.43 H new ATOM 0 HB2 GLN A 53 3.509 9.416 -8.890 1.00 14.10 H new ATOM 0 HB3 GLN A 53 5.249 9.366 -9.088 1.00 14.10 H new ATOM 0 HG2 GLN A 53 4.118 9.682 -11.244 1.00 61.22 H new ATOM 0 HG3 GLN A 53 5.022 8.180 -11.218 1.00 61.22 H new ATOM 0 HE21 GLN A 53 3.923 6.166 -11.208 1.00 73.32 H new ATOM 0 HE22 GLN A 53 2.212 6.055 -11.633 1.00 73.32 H new ATOM 942 N LYS A 54 6.739 6.900 -8.450 1.00 33.11 N ATOM 943 CA LYS A 54 7.925 6.081 -8.719 1.00 45.14 C ATOM 944 C LYS A 54 7.642 4.623 -8.378 1.00 1.44 C ATOM 945 O LYS A 54 7.908 3.719 -9.171 1.00 32.24 O ATOM 946 CB LYS A 54 9.118 6.564 -7.888 1.00 55.41 C ATOM 947 CG LYS A 54 9.645 7.936 -8.270 1.00 63.42 C ATOM 948 CD LYS A 54 10.607 8.461 -7.214 1.00 72.31 C ATOM 949 CE LYS A 54 11.208 9.799 -7.608 1.00 44.30 C ATOM 950 NZ LYS A 54 12.181 9.666 -8.724 1.00 73.13 N ATOM 0 H LYS A 54 6.899 7.672 -7.802 1.00 33.11 H new ATOM 0 HA LYS A 54 8.166 6.173 -9.778 1.00 45.14 H new ATOM 0 HB2 LYS A 54 8.828 6.581 -6.837 1.00 55.41 H new ATOM 0 HB3 LYS A 54 9.927 5.840 -7.984 1.00 55.41 H new ATOM 0 HG2 LYS A 54 10.151 7.880 -9.234 1.00 63.42 H new ATOM 0 HG3 LYS A 54 8.813 8.630 -8.387 1.00 63.42 H new ATOM 0 HD2 LYS A 54 10.082 8.565 -6.264 1.00 72.31 H new ATOM 0 HD3 LYS A 54 11.406 7.736 -7.059 1.00 72.31 H new ATOM 0 HE2 LYS A 54 10.411 10.482 -7.902 1.00 44.30 H new ATOM 0 HE3 LYS A 54 11.705 10.241 -6.745 1.00 44.30 H new ATOM 0 HZ1 LYS A 54 12.654 10.578 -8.883 1.00 73.13 H new ATOM 0 HZ2 LYS A 54 12.891 8.945 -8.482 1.00 73.13 H new ATOM 0 HZ3 LYS A 54 11.680 9.381 -9.590 1.00 73.13 H new ATOM 964 N PHE A 55 7.088 4.420 -7.188 1.00 0.03 N ATOM 965 CA PHE A 55 6.738 3.094 -6.696 1.00 70.14 C ATOM 966 C PHE A 55 5.802 2.376 -7.671 1.00 74.14 C ATOM 967 O PHE A 55 6.016 1.208 -8.000 1.00 50.04 O ATOM 968 CB PHE A 55 6.083 3.224 -5.316 1.00 62.22 C ATOM 969 CG PHE A 55 5.681 1.920 -4.691 1.00 40.21 C ATOM 970 CD1 PHE A 55 6.637 1.053 -4.189 1.00 22.14 C ATOM 971 CD2 PHE A 55 4.345 1.567 -4.597 1.00 3.52 C ATOM 972 CE1 PHE A 55 6.268 -0.143 -3.606 1.00 31.31 C ATOM 973 CE2 PHE A 55 3.968 0.373 -4.015 1.00 20.11 C ATOM 974 CZ PHE A 55 4.930 -0.484 -3.518 1.00 21.31 C ATOM 0 H PHE A 55 6.869 5.173 -6.536 1.00 0.03 H new ATOM 0 HA PHE A 55 7.646 2.496 -6.611 1.00 70.14 H new ATOM 0 HB2 PHE A 55 6.775 3.735 -4.646 1.00 62.22 H new ATOM 0 HB3 PHE A 55 5.200 3.857 -5.405 1.00 62.22 H new ATOM 0 HD1 PHE A 55 7.683 1.315 -4.254 1.00 22.14 H new ATOM 0 HD2 PHE A 55 3.589 2.234 -4.984 1.00 3.52 H new ATOM 0 HE1 PHE A 55 7.023 -0.812 -3.219 1.00 31.31 H new ATOM 0 HE2 PHE A 55 2.923 0.110 -3.949 1.00 20.11 H new ATOM 0 HZ PHE A 55 4.639 -1.418 -3.062 1.00 21.31 H new ATOM 984 N LEU A 56 4.778 3.085 -8.136 1.00 23.13 N ATOM 985 CA LEU A 56 3.816 2.515 -9.075 1.00 74.34 C ATOM 986 C LEU A 56 4.467 2.175 -10.411 1.00 74.03 C ATOM 987 O LEU A 56 4.182 1.130 -10.994 1.00 53.13 O ATOM 988 CB LEU A 56 2.646 3.474 -9.305 1.00 24.45 C ATOM 989 CG LEU A 56 1.736 3.697 -8.099 1.00 61.25 C ATOM 990 CD1 LEU A 56 0.636 4.676 -8.453 1.00 52.11 C ATOM 991 CD2 LEU A 56 1.136 2.382 -7.624 1.00 53.10 C ATOM 0 H LEU A 56 4.593 4.054 -7.879 1.00 23.13 H new ATOM 0 HA LEU A 56 3.443 1.593 -8.630 1.00 74.34 H new ATOM 0 HB2 LEU A 56 3.045 4.438 -9.621 1.00 24.45 H new ATOM 0 HB3 LEU A 56 2.042 3.093 -10.129 1.00 24.45 H new ATOM 0 HG LEU A 56 2.334 4.112 -7.288 1.00 61.25 H new ATOM 0 HD11 LEU A 56 -0.008 4.829 -7.587 1.00 52.11 H new ATOM 0 HD12 LEU A 56 1.077 5.628 -8.749 1.00 52.11 H new ATOM 0 HD13 LEU A 56 0.046 4.277 -9.278 1.00 52.11 H new ATOM 0 HD21 LEU A 56 0.492 2.566 -6.764 1.00 53.10 H new ATOM 0 HD22 LEU A 56 0.550 1.938 -8.429 1.00 53.10 H new ATOM 0 HD23 LEU A 56 1.936 1.699 -7.338 1.00 53.10 H new ATOM 1003 N ASN A 57 5.345 3.052 -10.888 1.00 54.13 N ATOM 1004 CA ASN A 57 6.010 2.849 -12.175 1.00 33.11 C ATOM 1005 C ASN A 57 6.837 1.572 -12.161 1.00 24.33 C ATOM 1006 O ASN A 57 6.796 0.786 -13.108 1.00 2.23 O ATOM 1007 CB ASN A 57 6.913 4.035 -12.528 1.00 33.03 C ATOM 1008 CG ASN A 57 6.139 5.300 -12.844 1.00 24.51 C ATOM 1009 OD1 ASN A 57 4.999 5.250 -13.305 1.00 41.53 O ATOM 1010 ND2 ASN A 57 6.762 6.445 -12.607 1.00 34.20 N ATOM 0 H ASN A 57 5.614 3.909 -10.405 1.00 54.13 H new ATOM 0 HA ASN A 57 5.230 2.764 -12.932 1.00 33.11 H new ATOM 0 HB2 ASN A 57 7.590 4.229 -11.696 1.00 33.03 H new ATOM 0 HB3 ASN A 57 7.531 3.771 -13.386 1.00 33.03 H new ATOM 0 HD21 ASN A 57 6.296 7.330 -12.807 1.00 34.20 H new ATOM 0 HD22 ASN A 57 7.707 6.441 -12.224 1.00 34.20 H new ATOM 1017 N GLU A 58 7.576 1.361 -11.079 1.00 11.10 N ATOM 1018 CA GLU A 58 8.418 0.178 -10.950 1.00 15.41 C ATOM 1019 C GLU A 58 7.566 -1.069 -10.731 1.00 71.00 C ATOM 1020 O GLU A 58 7.902 -2.158 -11.201 1.00 40.13 O ATOM 1021 CB GLU A 58 9.406 0.341 -9.792 1.00 32.41 C ATOM 1022 CG GLU A 58 10.256 1.601 -9.871 1.00 31.03 C ATOM 1023 CD GLU A 58 10.998 1.743 -11.186 1.00 24.23 C ATOM 1024 OE1 GLU A 58 11.750 0.814 -11.557 1.00 4.53 O ATOM 1025 OE2 GLU A 58 10.852 2.800 -11.842 1.00 71.53 O ATOM 0 H GLU A 58 7.610 1.993 -10.279 1.00 11.10 H new ATOM 0 HA GLU A 58 8.979 0.063 -11.878 1.00 15.41 H new ATOM 0 HB2 GLU A 58 8.851 0.349 -8.854 1.00 32.41 H new ATOM 0 HB3 GLU A 58 10.065 -0.527 -9.766 1.00 32.41 H new ATOM 0 HG2 GLU A 58 9.617 2.472 -9.727 1.00 31.03 H new ATOM 0 HG3 GLU A 58 10.977 1.596 -9.054 1.00 31.03 H new ATOM 1032 N TYR A 59 6.456 -0.897 -10.025 1.00 73.33 N ATOM 1033 CA TYR A 59 5.554 -2.003 -9.737 1.00 43.10 C ATOM 1034 C TYR A 59 4.831 -2.437 -11.012 1.00 14.50 C ATOM 1035 O TYR A 59 4.630 -3.628 -11.250 1.00 21.22 O ATOM 1036 CB TYR A 59 4.545 -1.590 -8.663 1.00 24.04 C ATOM 1037 CG TYR A 59 3.769 -2.742 -8.063 1.00 3.43 C ATOM 1038 CD1 TYR A 59 2.583 -3.181 -8.637 1.00 52.52 C ATOM 1039 CD2 TYR A 59 4.217 -3.384 -6.914 1.00 11.42 C ATOM 1040 CE1 TYR A 59 1.869 -4.227 -8.086 1.00 50.24 C ATOM 1041 CE2 TYR A 59 3.506 -4.429 -6.357 1.00 1.44 C ATOM 1042 CZ TYR A 59 2.334 -4.846 -6.945 1.00 30.41 C ATOM 1043 OH TYR A 59 1.626 -5.888 -6.391 1.00 2.45 O ATOM 0 H TYR A 59 6.159 -0.000 -9.641 1.00 73.33 H new ATOM 0 HA TYR A 59 6.134 -2.847 -9.363 1.00 43.10 H new ATOM 0 HB2 TYR A 59 5.074 -1.069 -7.865 1.00 24.04 H new ATOM 0 HB3 TYR A 59 3.841 -0.879 -9.096 1.00 24.04 H new ATOM 0 HD1 TYR A 59 2.213 -2.697 -9.529 1.00 52.52 H new ATOM 0 HD2 TYR A 59 5.136 -3.060 -6.449 1.00 11.42 H new ATOM 0 HE1 TYR A 59 0.950 -4.559 -8.547 1.00 50.24 H new ATOM 0 HE2 TYR A 59 3.868 -4.917 -5.464 1.00 1.44 H new ATOM 0 HH TYR A 59 2.092 -6.212 -5.592 1.00 2.45 H new ATOM 1053 N GLY A 60 4.469 -1.459 -11.838 1.00 52.12 N ATOM 1054 CA GLY A 60 3.761 -1.737 -13.077 1.00 51.31 C ATOM 1055 C GLY A 60 4.670 -2.282 -14.161 1.00 54.43 C ATOM 1056 O GLY A 60 4.214 -2.627 -15.251 1.00 72.44 O ATOM 0 H GLY A 60 4.655 -0.470 -11.669 1.00 52.12 H new ATOM 0 HA2 GLY A 60 2.964 -2.455 -12.882 1.00 51.31 H new ATOM 0 HA3 GLY A 60 3.286 -0.822 -13.432 1.00 51.31 H new ATOM 1060 N LEU A 61 5.963 -2.321 -13.876 1.00 42.11 N ATOM 1061 CA LEU A 61 6.930 -2.937 -14.776 1.00 32.12 C ATOM 1062 C LEU A 61 7.121 -4.408 -14.428 1.00 32.10 C ATOM 1063 O LEU A 61 7.690 -5.174 -15.204 1.00 52.41 O ATOM 1064 CB LEU A 61 8.281 -2.217 -14.696 1.00 1.12 C ATOM 1065 CG LEU A 61 8.322 -0.810 -15.290 1.00 74.21 C ATOM 1066 CD1 LEU A 61 9.661 -0.148 -14.998 1.00 54.13 C ATOM 1067 CD2 LEU A 61 8.076 -0.859 -16.790 1.00 64.22 C ATOM 0 H LEU A 61 6.369 -1.932 -13.025 1.00 42.11 H new ATOM 0 HA LEU A 61 6.542 -2.854 -15.791 1.00 32.12 H new ATOM 0 HB2 LEU A 61 8.578 -2.157 -13.649 1.00 1.12 H new ATOM 0 HB3 LEU A 61 9.027 -2.827 -15.205 1.00 1.12 H new ATOM 0 HG LEU A 61 7.533 -0.218 -14.827 1.00 74.21 H new ATOM 0 HD11 LEU A 61 9.673 0.853 -15.428 1.00 54.13 H new ATOM 0 HD12 LEU A 61 9.807 -0.082 -13.920 1.00 54.13 H new ATOM 0 HD13 LEU A 61 10.463 -0.741 -15.437 1.00 54.13 H new ATOM 0 HD21 LEU A 61 8.109 0.152 -17.197 1.00 64.22 H new ATOM 0 HD22 LEU A 61 8.846 -1.467 -17.265 1.00 64.22 H new ATOM 0 HD23 LEU A 61 7.097 -1.297 -16.984 1.00 64.22 H new ATOM 1079 N THR A 62 6.646 -4.797 -13.257 1.00 11.30 N ATOM 1080 CA THR A 62 6.871 -6.145 -12.764 1.00 30.12 C ATOM 1081 C THR A 62 5.561 -6.884 -12.512 1.00 22.11 C ATOM 1082 O THR A 62 5.566 -8.055 -12.124 1.00 22.24 O ATOM 1083 CB THR A 62 7.690 -6.110 -11.459 1.00 30.34 C ATOM 1084 OG1 THR A 62 7.126 -5.150 -10.550 1.00 61.40 O ATOM 1085 CG2 THR A 62 9.144 -5.758 -11.738 1.00 62.31 C ATOM 0 H THR A 62 6.104 -4.201 -12.632 1.00 11.30 H new ATOM 0 HA THR A 62 7.425 -6.680 -13.536 1.00 30.12 H new ATOM 0 HB THR A 62 7.654 -7.102 -11.009 1.00 30.34 H new ATOM 0 HG1 THR A 62 6.314 -5.520 -10.146 1.00 61.40 H new ATOM 0 HG21 THR A 62 9.700 -5.740 -10.801 1.00 62.31 H new ATOM 0 HG22 THR A 62 9.578 -6.505 -12.403 1.00 62.31 H new ATOM 0 HG23 THR A 62 9.197 -4.777 -12.210 1.00 62.31 H new ATOM 1093 N HIS A 63 4.441 -6.204 -12.730 1.00 10.12 N ATOM 1094 CA HIS A 63 3.135 -6.764 -12.404 1.00 31.43 C ATOM 1095 C HIS A 63 2.080 -6.317 -13.405 1.00 52.51 C ATOM 1096 O HIS A 63 2.288 -5.365 -14.158 1.00 64.01 O ATOM 1097 CB HIS A 63 2.716 -6.353 -10.988 1.00 22.42 C ATOM 1098 CG HIS A 63 3.552 -6.977 -9.913 1.00 41.54 C ATOM 1099 ND1 HIS A 63 4.721 -6.418 -9.436 1.00 0.40 N ATOM 1100 CD2 HIS A 63 3.393 -8.136 -9.237 1.00 0.43 C ATOM 1101 CE1 HIS A 63 5.237 -7.209 -8.516 1.00 33.54 C ATOM 1102 NE2 HIS A 63 4.453 -8.261 -8.375 1.00 41.32 N ATOM 0 H HIS A 63 4.411 -5.266 -13.130 1.00 10.12 H new ATOM 0 HA HIS A 63 3.216 -7.850 -12.453 1.00 31.43 H new ATOM 0 HB2 HIS A 63 2.776 -5.268 -10.900 1.00 22.42 H new ATOM 0 HB3 HIS A 63 1.673 -6.628 -10.832 1.00 22.42 H new ATOM 0 HD2 HIS A 63 2.579 -8.837 -9.354 1.00 0.43 H new ATOM 0 HE1 HIS A 63 6.150 -7.026 -7.969 1.00 33.54 H new ATOM 0 HE2 HIS A 63 4.609 -9.038 -7.732 1.00 41.32 H new ATOM 1111 N SER A 64 0.948 -7.008 -13.400 1.00 53.03 N ATOM 1112 CA SER A 64 -0.139 -6.709 -14.317 1.00 32.20 C ATOM 1113 C SER A 64 -1.005 -5.566 -13.790 1.00 11.22 C ATOM 1114 O SER A 64 -0.795 -5.064 -12.680 1.00 53.41 O ATOM 1115 CB SER A 64 -0.991 -7.960 -14.539 1.00 10.33 C ATOM 1116 OG SER A 64 -0.200 -9.039 -15.009 1.00 44.13 O ATOM 0 H SER A 64 0.760 -7.784 -12.766 1.00 53.03 H new ATOM 0 HA SER A 64 0.291 -6.394 -15.268 1.00 32.20 H new ATOM 0 HB2 SER A 64 -1.479 -8.242 -13.606 1.00 10.33 H new ATOM 0 HB3 SER A 64 -1.781 -7.743 -15.259 1.00 10.33 H new ATOM 0 HG SER A 64 -0.767 -9.827 -15.141 1.00 44.13 H new ATOM 1122 N TYR A 65 -1.989 -5.169 -14.594 1.00 35.44 N ATOM 1123 CA TYR A 65 -2.853 -4.045 -14.262 1.00 21.20 C ATOM 1124 C TYR A 65 -3.605 -4.281 -12.956 1.00 41.32 C ATOM 1125 O TYR A 65 -3.712 -3.378 -12.134 1.00 15.20 O ATOM 1126 CB TYR A 65 -3.844 -3.779 -15.398 1.00 20.12 C ATOM 1127 CG TYR A 65 -4.741 -2.585 -15.153 1.00 52.04 C ATOM 1128 CD1 TYR A 65 -4.250 -1.290 -15.272 1.00 72.32 C ATOM 1129 CD2 TYR A 65 -6.076 -2.750 -14.803 1.00 63.33 C ATOM 1130 CE1 TYR A 65 -5.062 -0.196 -15.051 1.00 65.14 C ATOM 1131 CE2 TYR A 65 -6.896 -1.661 -14.580 1.00 3.34 C ATOM 1132 CZ TYR A 65 -6.383 -0.385 -14.706 1.00 2.33 C ATOM 1133 OH TYR A 65 -7.195 0.706 -14.492 1.00 30.12 O ATOM 0 H TYR A 65 -2.206 -5.614 -15.485 1.00 35.44 H new ATOM 0 HA TYR A 65 -2.217 -3.170 -14.130 1.00 21.20 H new ATOM 0 HB2 TYR A 65 -3.290 -3.622 -16.323 1.00 20.12 H new ATOM 0 HB3 TYR A 65 -4.463 -4.664 -15.543 1.00 20.12 H new ATOM 0 HD1 TYR A 65 -3.216 -1.137 -15.542 1.00 72.32 H new ATOM 0 HD2 TYR A 65 -6.479 -3.747 -14.704 1.00 63.33 H new ATOM 0 HE1 TYR A 65 -4.664 0.803 -15.148 1.00 65.14 H new ATOM 0 HE2 TYR A 65 -7.931 -1.806 -14.309 1.00 3.34 H new ATOM 0 HH TYR A 65 -8.097 0.402 -14.258 1.00 30.12 H new ATOM 1143 N GLU A 66 -4.114 -5.495 -12.758 1.00 1.32 N ATOM 1144 CA GLU A 66 -4.863 -5.804 -11.544 1.00 3.25 C ATOM 1145 C GLU A 66 -4.010 -5.628 -10.302 1.00 50.44 C ATOM 1146 O GLU A 66 -4.462 -5.067 -9.308 1.00 21.22 O ATOM 1147 CB GLU A 66 -5.407 -7.227 -11.562 1.00 23.01 C ATOM 1148 CG GLU A 66 -6.611 -7.408 -12.453 1.00 33.01 C ATOM 1149 CD GLU A 66 -7.405 -8.636 -12.080 1.00 74.34 C ATOM 1150 OE1 GLU A 66 -6.832 -9.744 -12.061 1.00 40.43 O ATOM 1151 OE2 GLU A 66 -8.602 -8.486 -11.762 1.00 44.55 O ATOM 0 H GLU A 66 -4.023 -6.271 -13.414 1.00 1.32 H new ATOM 0 HA GLU A 66 -5.696 -5.101 -11.515 1.00 3.25 H new ATOM 0 HB2 GLU A 66 -4.618 -7.903 -11.891 1.00 23.01 H new ATOM 0 HB3 GLU A 66 -5.672 -7.517 -10.545 1.00 23.01 H new ATOM 0 HG2 GLU A 66 -7.250 -6.527 -12.384 1.00 33.01 H new ATOM 0 HG3 GLU A 66 -6.287 -7.486 -13.491 1.00 33.01 H new ATOM 1158 N THR A 67 -2.779 -6.105 -10.372 1.00 42.12 N ATOM 1159 CA THR A 67 -1.890 -6.097 -9.230 1.00 12.14 C ATOM 1160 C THR A 67 -1.607 -4.669 -8.765 1.00 53.43 C ATOM 1161 O THR A 67 -1.670 -4.373 -7.573 1.00 75.31 O ATOM 1162 CB THR A 67 -0.573 -6.806 -9.578 1.00 75.32 C ATOM 1163 OG1 THR A 67 -0.787 -7.688 -10.692 1.00 43.14 O ATOM 1164 CG2 THR A 67 -0.071 -7.614 -8.394 1.00 54.41 C ATOM 0 H THR A 67 -2.373 -6.506 -11.217 1.00 42.12 H new ATOM 0 HA THR A 67 -2.380 -6.631 -8.416 1.00 12.14 H new ATOM 0 HB THR A 67 0.172 -6.052 -9.832 1.00 75.32 H new ATOM 0 HG1 THR A 67 0.053 -8.140 -10.917 1.00 43.14 H new ATOM 0 HG21 THR A 67 0.863 -8.109 -8.661 1.00 54.41 H new ATOM 0 HG22 THR A 67 0.099 -6.950 -7.546 1.00 54.41 H new ATOM 0 HG23 THR A 67 -0.814 -8.364 -8.124 1.00 54.41 H new ATOM 1172 N ILE A 68 -1.317 -3.785 -9.713 1.00 11.33 N ATOM 1173 CA ILE A 68 -1.057 -2.389 -9.388 1.00 21.33 C ATOM 1174 C ILE A 68 -2.359 -1.662 -9.029 1.00 5.23 C ATOM 1175 O ILE A 68 -2.375 -0.792 -8.156 1.00 72.21 O ATOM 1176 CB ILE A 68 -0.315 -1.658 -10.539 1.00 30.04 C ATOM 1177 CG1 ILE A 68 0.038 -0.223 -10.132 1.00 43.03 C ATOM 1178 CG2 ILE A 68 -1.138 -1.662 -11.819 1.00 60.33 C ATOM 1179 CD1 ILE A 68 0.838 0.529 -11.176 1.00 65.11 C ATOM 0 H ILE A 68 -1.256 -4.009 -10.706 1.00 11.33 H new ATOM 0 HA ILE A 68 -0.402 -2.373 -8.517 1.00 21.33 H new ATOM 0 HB ILE A 68 0.610 -2.201 -10.734 1.00 30.04 H new ATOM 0 HG12 ILE A 68 -0.883 0.324 -9.929 1.00 43.03 H new ATOM 0 HG13 ILE A 68 0.605 -0.248 -9.202 1.00 43.03 H new ATOM 0 HG21 ILE A 68 -0.590 -1.142 -12.605 1.00 60.33 H new ATOM 0 HG22 ILE A 68 -1.327 -2.690 -12.127 1.00 60.33 H new ATOM 0 HG23 ILE A 68 -2.087 -1.156 -11.643 1.00 60.33 H new ATOM 0 HD11 ILE A 68 1.050 1.536 -10.817 1.00 65.11 H new ATOM 0 HD12 ILE A 68 1.776 0.006 -11.362 1.00 65.11 H new ATOM 0 HD13 ILE A 68 0.265 0.587 -12.101 1.00 65.11 H new ATOM 1191 N ARG A 69 -3.453 -2.045 -9.689 1.00 75.05 N ATOM 1192 CA ARG A 69 -4.769 -1.466 -9.422 1.00 24.24 C ATOM 1193 C ARG A 69 -5.191 -1.742 -7.984 1.00 33.31 C ATOM 1194 O ARG A 69 -5.594 -0.834 -7.255 1.00 44.25 O ATOM 1195 CB ARG A 69 -5.807 -2.054 -10.381 1.00 24.41 C ATOM 1196 CG ARG A 69 -7.199 -1.470 -10.219 1.00 20.15 C ATOM 1197 CD ARG A 69 -8.220 -2.235 -11.045 1.00 61.54 C ATOM 1198 NE ARG A 69 -9.539 -1.607 -11.010 1.00 72.13 N ATOM 1199 CZ ARG A 69 -10.548 -2.026 -10.247 1.00 15.52 C ATOM 1200 NH1 ARG A 69 -10.398 -3.076 -9.449 1.00 32.11 N ATOM 1201 NH2 ARG A 69 -11.714 -1.398 -10.291 1.00 41.14 N ATOM 0 H ARG A 69 -3.452 -2.759 -10.417 1.00 75.05 H new ATOM 0 HA ARG A 69 -4.707 -0.388 -9.573 1.00 24.24 H new ATOM 0 HB2 ARG A 69 -5.473 -1.891 -11.406 1.00 24.41 H new ATOM 0 HB3 ARG A 69 -5.857 -3.132 -10.229 1.00 24.41 H new ATOM 0 HG2 ARG A 69 -7.486 -1.496 -9.168 1.00 20.15 H new ATOM 0 HG3 ARG A 69 -7.194 -0.423 -10.522 1.00 20.15 H new ATOM 0 HD2 ARG A 69 -7.876 -2.298 -12.078 1.00 61.54 H new ATOM 0 HD3 ARG A 69 -8.295 -3.256 -10.672 1.00 61.54 H new ATOM 0 HE ARG A 69 -9.698 -0.796 -11.608 1.00 72.13 H new ATOM 0 HH11 ARG A 69 -9.505 -3.569 -9.417 1.00 32.11 H new ATOM 0 HH12 ARG A 69 -11.175 -3.390 -8.868 1.00 32.11 H new ATOM 0 HH21 ARG A 69 -11.838 -0.595 -10.908 1.00 41.14 H new ATOM 0 HH22 ARG A 69 -12.488 -1.717 -9.708 1.00 41.14 H new ATOM 1215 N LYS A 70 -5.090 -3.002 -7.591 1.00 3.13 N ATOM 1216 CA LYS A 70 -5.434 -3.418 -6.241 1.00 21.12 C ATOM 1217 C LYS A 70 -4.494 -2.780 -5.228 1.00 1.11 C ATOM 1218 O LYS A 70 -4.936 -2.291 -4.191 1.00 21.11 O ATOM 1219 CB LYS A 70 -5.395 -4.944 -6.145 1.00 12.43 C ATOM 1220 CG LYS A 70 -6.676 -5.602 -6.634 1.00 71.12 C ATOM 1221 CD LYS A 70 -6.431 -6.975 -7.243 1.00 43.13 C ATOM 1222 CE LYS A 70 -7.722 -7.573 -7.785 1.00 63.41 C ATOM 1223 NZ LYS A 70 -7.552 -8.982 -8.230 1.00 21.13 N ATOM 0 H LYS A 70 -4.770 -3.760 -8.194 1.00 3.13 H new ATOM 0 HA LYS A 70 -6.445 -3.082 -6.011 1.00 21.12 H new ATOM 0 HB2 LYS A 70 -4.555 -5.318 -6.730 1.00 12.43 H new ATOM 0 HB3 LYS A 70 -5.217 -5.233 -5.109 1.00 12.43 H new ATOM 0 HG2 LYS A 70 -7.373 -5.697 -5.801 1.00 71.12 H new ATOM 0 HG3 LYS A 70 -7.151 -4.959 -7.375 1.00 71.12 H new ATOM 0 HD2 LYS A 70 -5.699 -6.894 -8.046 1.00 43.13 H new ATOM 0 HD3 LYS A 70 -6.007 -7.640 -6.490 1.00 43.13 H new ATOM 0 HE2 LYS A 70 -8.491 -7.529 -7.014 1.00 63.41 H new ATOM 0 HE3 LYS A 70 -8.075 -6.971 -8.622 1.00 63.41 H new ATOM 0 HZ1 LYS A 70 -8.458 -9.344 -8.590 1.00 21.13 H new ATOM 0 HZ2 LYS A 70 -6.838 -9.024 -8.985 1.00 21.13 H new ATOM 0 HZ3 LYS A 70 -7.241 -9.565 -7.427 1.00 21.13 H new ATOM 1237 N LEU A 71 -3.208 -2.760 -5.558 1.00 50.32 N ATOM 1238 CA LEU A 71 -2.193 -2.144 -4.709 1.00 63.31 C ATOM 1239 C LEU A 71 -2.577 -0.708 -4.352 1.00 3.44 C ATOM 1240 O LEU A 71 -2.698 -0.360 -3.178 1.00 33.44 O ATOM 1241 CB LEU A 71 -0.848 -2.149 -5.440 1.00 25.01 C ATOM 1242 CG LEU A 71 0.274 -1.351 -4.773 1.00 13.43 C ATOM 1243 CD1 LEU A 71 0.735 -2.026 -3.495 1.00 53.23 C ATOM 1244 CD2 LEU A 71 1.435 -1.169 -5.733 1.00 71.20 C ATOM 0 H LEU A 71 -2.840 -3.168 -6.417 1.00 50.32 H new ATOM 0 HA LEU A 71 -2.117 -2.719 -3.786 1.00 63.31 H new ATOM 0 HB2 LEU A 71 -0.519 -3.182 -5.549 1.00 25.01 H new ATOM 0 HB3 LEU A 71 -1.000 -1.756 -6.445 1.00 25.01 H new ATOM 0 HG LEU A 71 -0.116 -0.368 -4.510 1.00 13.43 H new ATOM 0 HD11 LEU A 71 1.533 -1.439 -3.041 1.00 53.23 H new ATOM 0 HD12 LEU A 71 -0.102 -2.100 -2.800 1.00 53.23 H new ATOM 0 HD13 LEU A 71 1.106 -3.025 -3.724 1.00 53.23 H new ATOM 0 HD21 LEU A 71 2.225 -0.599 -5.244 1.00 71.20 H new ATOM 0 HD22 LEU A 71 1.820 -2.145 -6.027 1.00 71.20 H new ATOM 0 HD23 LEU A 71 1.095 -0.631 -6.618 1.00 71.20 H new ATOM 1256 N ASN A 72 -2.781 0.104 -5.383 1.00 62.14 N ATOM 1257 CA ASN A 72 -3.144 1.509 -5.211 1.00 30.12 C ATOM 1258 C ASN A 72 -4.428 1.652 -4.397 1.00 45.34 C ATOM 1259 O ASN A 72 -4.531 2.523 -3.537 1.00 32.04 O ATOM 1260 CB ASN A 72 -3.307 2.173 -6.581 1.00 74.03 C ATOM 1261 CG ASN A 72 -3.742 3.629 -6.506 1.00 1.23 C ATOM 1262 OD1 ASN A 72 -3.439 4.345 -5.553 1.00 13.12 O ATOM 1263 ND2 ASN A 72 -4.459 4.077 -7.525 1.00 32.14 N ATOM 0 H ASN A 72 -2.701 -0.189 -6.357 1.00 62.14 H new ATOM 0 HA ASN A 72 -2.344 2.006 -4.662 1.00 30.12 H new ATOM 0 HB2 ASN A 72 -2.361 2.113 -7.119 1.00 74.03 H new ATOM 0 HB3 ASN A 72 -4.040 1.613 -7.162 1.00 74.03 H new ATOM 0 HD21 ASN A 72 -4.779 5.045 -7.537 1.00 32.14 H new ATOM 0 HD22 ASN A 72 -4.691 3.454 -8.298 1.00 32.14 H new ATOM 1270 N SER A 73 -5.393 0.776 -4.655 1.00 61.22 N ATOM 1271 CA SER A 73 -6.676 0.825 -3.963 1.00 41.02 C ATOM 1272 C SER A 73 -6.505 0.625 -2.454 1.00 73.22 C ATOM 1273 O SER A 73 -7.104 1.346 -1.656 1.00 32.33 O ATOM 1274 CB SER A 73 -7.624 -0.232 -4.531 1.00 43.34 C ATOM 1275 OG SER A 73 -7.830 -0.037 -5.922 1.00 22.41 O ATOM 0 H SER A 73 -5.311 0.023 -5.338 1.00 61.22 H new ATOM 0 HA SER A 73 -7.105 1.814 -4.124 1.00 41.02 H new ATOM 0 HB2 SER A 73 -7.212 -1.226 -4.357 1.00 43.34 H new ATOM 0 HB3 SER A 73 -8.580 -0.187 -4.009 1.00 43.34 H new ATOM 0 HG SER A 73 -7.050 -0.363 -6.417 1.00 22.41 H new ATOM 1281 N TYR A 74 -5.672 -0.340 -2.068 1.00 31.15 N ATOM 1282 CA TYR A 74 -5.426 -0.608 -0.653 1.00 71.41 C ATOM 1283 C TYR A 74 -4.759 0.599 -0.009 1.00 13.15 C ATOM 1284 O TYR A 74 -5.155 1.056 1.065 1.00 20.23 O ATOM 1285 CB TYR A 74 -4.516 -1.828 -0.462 1.00 75.44 C ATOM 1286 CG TYR A 74 -4.914 -3.060 -1.248 1.00 12.22 C ATOM 1287 CD1 TYR A 74 -6.244 -3.338 -1.540 1.00 51.21 C ATOM 1288 CD2 TYR A 74 -3.944 -3.951 -1.691 1.00 43.34 C ATOM 1289 CE1 TYR A 74 -6.592 -4.470 -2.253 1.00 22.03 C ATOM 1290 CE2 TYR A 74 -4.286 -5.082 -2.404 1.00 10.02 C ATOM 1291 CZ TYR A 74 -5.611 -5.338 -2.680 1.00 34.13 C ATOM 1292 OH TYR A 74 -5.962 -6.468 -3.382 1.00 3.13 O ATOM 0 H TYR A 74 -5.160 -0.945 -2.710 1.00 31.15 H new ATOM 0 HA TYR A 74 -6.389 -0.810 -0.184 1.00 71.41 H new ATOM 0 HB2 TYR A 74 -3.500 -1.551 -0.742 1.00 75.44 H new ATOM 0 HB3 TYR A 74 -4.496 -2.084 0.597 1.00 75.44 H new ATOM 0 HD1 TYR A 74 -7.016 -2.661 -1.205 1.00 51.21 H new ATOM 0 HD2 TYR A 74 -2.904 -3.755 -1.474 1.00 43.34 H new ATOM 0 HE1 TYR A 74 -7.629 -4.673 -2.475 1.00 22.03 H new ATOM 0 HE2 TYR A 74 -3.519 -5.762 -2.744 1.00 10.02 H new ATOM 0 HH TYR A 74 -6.887 -6.385 -3.694 1.00 3.13 H new ATOM 1302 N ILE A 75 -3.752 1.115 -0.698 1.00 53.34 N ATOM 1303 CA ILE A 75 -2.961 2.229 -0.206 1.00 3.42 C ATOM 1304 C ILE A 75 -3.807 3.498 -0.087 1.00 32.54 C ATOM 1305 O ILE A 75 -3.683 4.244 0.887 1.00 54.31 O ATOM 1306 CB ILE A 75 -1.737 2.476 -1.114 1.00 61.53 C ATOM 1307 CG1 ILE A 75 -0.804 1.258 -1.068 1.00 34.51 C ATOM 1308 CG2 ILE A 75 -0.998 3.738 -0.699 1.00 62.14 C ATOM 1309 CD1 ILE A 75 0.397 1.369 -1.977 1.00 14.34 C ATOM 0 H ILE A 75 -3.462 0.772 -1.614 1.00 53.34 H new ATOM 0 HA ILE A 75 -2.603 1.968 0.790 1.00 3.42 H new ATOM 0 HB ILE A 75 -2.083 2.618 -2.138 1.00 61.53 H new ATOM 0 HG12 ILE A 75 -0.460 1.116 -0.044 1.00 34.51 H new ATOM 0 HG13 ILE A 75 -1.372 0.368 -1.340 1.00 34.51 H new ATOM 0 HG21 ILE A 75 -0.140 3.889 -1.354 1.00 62.14 H new ATOM 0 HG22 ILE A 75 -1.668 4.594 -0.775 1.00 62.14 H new ATOM 0 HG23 ILE A 75 -0.655 3.637 0.331 1.00 62.14 H new ATOM 0 HD11 ILE A 75 1.006 0.470 -1.887 1.00 14.34 H new ATOM 0 HD12 ILE A 75 0.063 1.479 -3.009 1.00 14.34 H new ATOM 0 HD13 ILE A 75 0.990 2.238 -1.692 1.00 14.34 H new ATOM 1321 N ARG A 76 -4.679 3.728 -1.064 1.00 22.24 N ATOM 1322 CA ARG A 76 -5.576 4.876 -1.023 1.00 70.12 C ATOM 1323 C ARG A 76 -6.488 4.811 0.188 1.00 54.25 C ATOM 1324 O ARG A 76 -6.623 5.793 0.918 1.00 72.45 O ATOM 1325 CB ARG A 76 -6.408 4.977 -2.301 1.00 2.22 C ATOM 1326 CG ARG A 76 -5.694 5.712 -3.418 1.00 22.22 C ATOM 1327 CD ARG A 76 -6.647 6.144 -4.518 1.00 11.11 C ATOM 1328 NE ARG A 76 -6.066 7.208 -5.338 1.00 30.10 N ATOM 1329 CZ ARG A 76 -6.754 7.954 -6.199 1.00 5.31 C ATOM 1330 NH1 ARG A 76 -8.047 7.724 -6.391 1.00 71.02 N ATOM 1331 NH2 ARG A 76 -6.148 8.934 -6.865 1.00 14.23 N ATOM 0 H ARG A 76 -4.783 3.138 -1.889 1.00 22.24 H new ATOM 0 HA ARG A 76 -4.957 5.770 -0.946 1.00 70.12 H new ATOM 0 HB2 ARG A 76 -6.665 3.974 -2.640 1.00 2.22 H new ATOM 0 HB3 ARG A 76 -7.345 5.488 -2.078 1.00 2.22 H new ATOM 0 HG2 ARG A 76 -5.190 6.589 -3.011 1.00 22.22 H new ATOM 0 HG3 ARG A 76 -4.922 5.068 -3.840 1.00 22.22 H new ATOM 0 HD2 ARG A 76 -6.890 5.288 -5.148 1.00 11.11 H new ATOM 0 HD3 ARG A 76 -7.581 6.491 -4.077 1.00 11.11 H new ATOM 0 HE ARG A 76 -5.067 7.390 -5.243 1.00 30.10 H new ATOM 0 HH11 ARG A 76 -8.513 6.975 -5.879 1.00 71.02 H new ATOM 0 HH12 ARG A 76 -8.574 8.296 -7.051 1.00 71.02 H new ATOM 0 HH21 ARG A 76 -5.155 9.114 -6.716 1.00 14.23 H new ATOM 0 HH22 ARG A 76 -6.676 9.505 -7.525 1.00 14.23 H new ATOM 1345 N ASN A 77 -7.095 3.652 0.412 1.00 55.42 N ATOM 1346 CA ASN A 77 -7.975 3.464 1.558 1.00 52.13 C ATOM 1347 C ASN A 77 -7.226 3.689 2.866 1.00 4.10 C ATOM 1348 O ASN A 77 -7.777 4.258 3.810 1.00 21.23 O ATOM 1349 CB ASN A 77 -8.602 2.068 1.546 1.00 14.23 C ATOM 1350 CG ASN A 77 -9.904 2.024 0.770 1.00 42.01 C ATOM 1351 OD1 ASN A 77 -9.926 1.752 -0.429 1.00 35.52 O ATOM 1352 ND2 ASN A 77 -11.006 2.281 1.458 1.00 72.42 N ATOM 0 H ASN A 77 -6.994 2.830 -0.183 1.00 55.42 H new ATOM 0 HA ASN A 77 -8.773 4.203 1.484 1.00 52.13 H new ATOM 0 HB2 ASN A 77 -7.898 1.360 1.108 1.00 14.23 H new ATOM 0 HB3 ASN A 77 -8.783 1.745 2.571 1.00 14.23 H new ATOM 0 HD21 ASN A 77 -11.914 2.257 0.994 1.00 72.42 H new ATOM 0 HD22 ASN A 77 -10.947 2.503 2.452 1.00 72.42 H new ATOM 1359 N ALA A 78 -5.973 3.253 2.911 1.00 4.13 N ATOM 1360 CA ALA A 78 -5.141 3.434 4.093 1.00 34.54 C ATOM 1361 C ALA A 78 -4.887 4.916 4.371 1.00 3.11 C ATOM 1362 O ALA A 78 -5.119 5.395 5.484 1.00 61.43 O ATOM 1363 CB ALA A 78 -3.826 2.685 3.932 1.00 31.52 C ATOM 0 H ALA A 78 -5.510 2.771 2.141 1.00 4.13 H new ATOM 0 HA ALA A 78 -5.676 3.023 4.949 1.00 34.54 H new ATOM 0 HB1 ALA A 78 -3.214 2.829 4.822 1.00 31.52 H new ATOM 0 HB2 ALA A 78 -4.027 1.622 3.797 1.00 31.52 H new ATOM 0 HB3 ALA A 78 -3.294 3.067 3.061 1.00 31.52 H new ATOM 1369 N PHE A 79 -4.423 5.644 3.356 1.00 75.54 N ATOM 1370 CA PHE A 79 -4.166 7.077 3.497 1.00 4.41 C ATOM 1371 C PHE A 79 -5.450 7.841 3.784 1.00 53.11 C ATOM 1372 O PHE A 79 -5.479 8.720 4.644 1.00 45.33 O ATOM 1373 CB PHE A 79 -3.507 7.647 2.240 1.00 64.53 C ATOM 1374 CG PHE A 79 -2.022 7.446 2.187 1.00 11.42 C ATOM 1375 CD1 PHE A 79 -1.196 8.060 3.115 1.00 3.14 C ATOM 1376 CD2 PHE A 79 -1.449 6.663 1.202 1.00 54.24 C ATOM 1377 CE1 PHE A 79 0.174 7.894 3.061 1.00 53.51 C ATOM 1378 CE2 PHE A 79 -0.079 6.490 1.144 1.00 23.42 C ATOM 1379 CZ PHE A 79 0.733 7.107 2.074 1.00 32.03 C ATOM 0 H PHE A 79 -4.218 5.267 2.431 1.00 75.54 H new ATOM 0 HA PHE A 79 -3.486 7.198 4.340 1.00 4.41 H new ATOM 0 HB2 PHE A 79 -3.958 7.183 1.363 1.00 64.53 H new ATOM 0 HB3 PHE A 79 -3.721 8.714 2.181 1.00 64.53 H new ATOM 0 HD1 PHE A 79 -1.629 8.676 3.890 1.00 3.14 H new ATOM 0 HD2 PHE A 79 -2.079 6.181 0.469 1.00 54.24 H new ATOM 0 HE1 PHE A 79 0.807 8.379 3.790 1.00 53.51 H new ATOM 0 HE2 PHE A 79 0.356 5.873 0.372 1.00 23.42 H new ATOM 0 HZ PHE A 79 1.804 6.974 2.030 1.00 32.03 H new ATOM 1389 N ASP A 80 -6.509 7.493 3.068 1.00 44.55 N ATOM 1390 CA ASP A 80 -7.801 8.151 3.232 1.00 32.34 C ATOM 1391 C ASP A 80 -8.332 7.968 4.648 1.00 0.53 C ATOM 1392 O ASP A 80 -8.964 8.864 5.205 1.00 24.54 O ATOM 1393 CB ASP A 80 -8.806 7.609 2.214 1.00 43.35 C ATOM 1394 CG ASP A 80 -10.204 8.160 2.416 1.00 62.12 C ATOM 1395 OD1 ASP A 80 -10.413 9.371 2.194 1.00 21.21 O ATOM 1396 OD2 ASP A 80 -11.098 7.380 2.804 1.00 55.01 O ATOM 0 H ASP A 80 -6.500 6.755 2.364 1.00 44.55 H new ATOM 0 HA ASP A 80 -7.663 9.218 3.057 1.00 32.34 H new ATOM 0 HB2 ASP A 80 -8.466 7.855 1.208 1.00 43.35 H new ATOM 0 HB3 ASP A 80 -8.836 6.522 2.283 1.00 43.35 H new ATOM 1401 N ASP A 81 -8.049 6.816 5.243 1.00 4.45 N ATOM 1402 CA ASP A 81 -8.503 6.542 6.599 1.00 31.02 C ATOM 1403 C ASP A 81 -7.687 7.340 7.607 1.00 30.12 C ATOM 1404 O ASP A 81 -8.212 7.795 8.623 1.00 31.24 O ATOM 1405 CB ASP A 81 -8.434 5.051 6.918 1.00 71.01 C ATOM 1406 CG ASP A 81 -9.142 4.719 8.218 1.00 25.43 C ATOM 1407 OD1 ASP A 81 -10.345 5.043 8.341 1.00 62.41 O ATOM 1408 OD2 ASP A 81 -8.511 4.130 9.116 1.00 63.44 O ATOM 0 H ASP A 81 -7.512 6.063 4.812 1.00 4.45 H new ATOM 0 HA ASP A 81 -9.546 6.851 6.669 1.00 31.02 H new ATOM 0 HB2 ASP A 81 -8.885 4.484 6.104 1.00 71.01 H new ATOM 0 HB3 ASP A 81 -7.391 4.741 6.983 1.00 71.01 H new ATOM 1413 N ALA A 82 -6.405 7.524 7.311 1.00 53.21 N ATOM 1414 CA ALA A 82 -5.560 8.415 8.100 1.00 52.22 C ATOM 1415 C ALA A 82 -6.113 9.834 8.023 1.00 35.35 C ATOM 1416 O ALA A 82 -6.123 10.569 9.007 1.00 22.32 O ATOM 1417 CB ALA A 82 -4.121 8.368 7.596 1.00 73.00 C ATOM 0 H ALA A 82 -5.928 7.069 6.532 1.00 53.21 H new ATOM 0 HA ALA A 82 -5.562 8.088 9.140 1.00 52.22 H new ATOM 0 HB1 ALA A 82 -3.504 9.038 8.195 1.00 73.00 H new ATOM 0 HB2 ALA A 82 -3.739 7.351 7.680 1.00 73.00 H new ATOM 0 HB3 ALA A 82 -4.090 8.682 6.553 1.00 73.00 H new ATOM 1423 N ILE A 83 -6.596 10.197 6.842 1.00 2.41 N ATOM 1424 CA ILE A 83 -7.222 11.496 6.623 1.00 40.21 C ATOM 1425 C ILE A 83 -8.519 11.622 7.427 1.00 63.10 C ATOM 1426 O ILE A 83 -8.864 12.707 7.892 1.00 14.11 O ATOM 1427 CB ILE A 83 -7.528 11.718 5.126 1.00 33.25 C ATOM 1428 CG1 ILE A 83 -6.237 11.676 4.305 1.00 11.13 C ATOM 1429 CG2 ILE A 83 -8.254 13.039 4.910 1.00 71.33 C ATOM 1430 CD1 ILE A 83 -6.469 11.750 2.811 1.00 21.54 C ATOM 0 H ILE A 83 -6.566 9.604 6.013 1.00 2.41 H new ATOM 0 HA ILE A 83 -6.517 12.256 6.960 1.00 40.21 H new ATOM 0 HB ILE A 83 -8.181 10.913 4.789 1.00 33.25 H new ATOM 0 HG12 ILE A 83 -5.597 12.505 4.607 1.00 11.13 H new ATOM 0 HG13 ILE A 83 -5.699 10.757 4.536 1.00 11.13 H new ATOM 0 HG21 ILE A 83 -8.458 13.172 3.848 1.00 71.33 H new ATOM 0 HG22 ILE A 83 -9.194 13.032 5.462 1.00 71.33 H new ATOM 0 HG23 ILE A 83 -7.630 13.859 5.265 1.00 71.33 H new ATOM 0 HD11 ILE A 83 -5.511 11.715 2.292 1.00 21.54 H new ATOM 0 HD12 ILE A 83 -7.083 10.907 2.496 1.00 21.54 H new ATOM 0 HD13 ILE A 83 -6.980 12.682 2.568 1.00 21.54 H new ATOM 1442 N HIS A 84 -9.217 10.499 7.605 1.00 30.04 N ATOM 1443 CA HIS A 84 -10.496 10.482 8.323 1.00 21.41 C ATOM 1444 C HIS A 84 -10.349 11.084 9.712 1.00 72.53 C ATOM 1445 O HIS A 84 -11.096 11.986 10.084 1.00 64.40 O ATOM 1446 CB HIS A 84 -11.047 9.057 8.464 1.00 74.15 C ATOM 1447 CG HIS A 84 -11.527 8.442 7.189 1.00 32.11 C ATOM 1448 ND1 HIS A 84 -11.609 7.081 7.001 1.00 34.45 N ATOM 1449 CD2 HIS A 84 -11.965 9.004 6.038 1.00 25.04 C ATOM 1450 CE1 HIS A 84 -12.079 6.832 5.796 1.00 60.22 C ATOM 1451 NE2 HIS A 84 -12.302 7.982 5.184 1.00 2.41 N ATOM 0 H HIS A 84 -8.918 9.586 7.261 1.00 30.04 H new ATOM 0 HA HIS A 84 -11.193 11.078 7.734 1.00 21.41 H new ATOM 0 HB2 HIS A 84 -10.269 8.422 8.887 1.00 74.15 H new ATOM 0 HB3 HIS A 84 -11.871 9.070 9.178 1.00 74.15 H new ATOM 0 HD1 HIS A 84 -11.346 6.375 7.688 1.00 34.45 H new ATOM 0 HD2 HIS A 84 -12.036 10.061 5.829 1.00 25.04 H new ATOM 0 HE1 HIS A 84 -12.253 5.852 5.378 1.00 60.22 H new ATOM 1460 N GLU A 85 -9.380 10.589 10.469 1.00 74.02 N ATOM 1461 CA GLU A 85 -9.175 11.058 11.831 1.00 5.34 C ATOM 1462 C GLU A 85 -8.311 12.316 11.839 1.00 54.05 C ATOM 1463 O GLU A 85 -8.418 13.149 12.738 1.00 33.45 O ATOM 1464 CB GLU A 85 -8.525 9.964 12.679 1.00 44.10 C ATOM 1465 CG GLU A 85 -8.630 10.215 14.175 1.00 41.41 C ATOM 1466 CD GLU A 85 -10.066 10.376 14.633 1.00 42.01 C ATOM 1467 OE1 GLU A 85 -10.856 9.420 14.473 1.00 71.11 O ATOM 1468 OE2 GLU A 85 -10.417 11.456 15.154 1.00 5.23 O ATOM 0 H GLU A 85 -8.727 9.867 10.165 1.00 74.02 H new ATOM 0 HA GLU A 85 -10.146 11.302 12.261 1.00 5.34 H new ATOM 0 HB2 GLU A 85 -8.993 9.008 12.445 1.00 44.10 H new ATOM 0 HB3 GLU A 85 -7.473 9.880 12.405 1.00 44.10 H new ATOM 0 HG2 GLU A 85 -8.170 9.386 14.713 1.00 41.41 H new ATOM 0 HG3 GLU A 85 -8.067 11.112 14.431 1.00 41.41 H new ATOM 1475 N GLY A 86 -7.465 12.449 10.826 1.00 33.11 N ATOM 1476 CA GLY A 86 -6.620 13.621 10.714 1.00 74.25 C ATOM 1477 C GLY A 86 -5.175 13.324 11.055 1.00 12.42 C ATOM 1478 O GLY A 86 -4.587 13.967 11.924 1.00 75.25 O ATOM 0 H GLY A 86 -7.349 11.765 10.079 1.00 33.11 H new ATOM 0 HA2 GLY A 86 -6.678 14.012 9.698 1.00 74.25 H new ATOM 0 HA3 GLY A 86 -6.994 14.401 11.377 1.00 74.25 H new ATOM 1482 N TYR A 87 -4.606 12.341 10.375 1.00 31.04 N ATOM 1483 CA TYR A 87 -3.230 11.937 10.615 1.00 54.54 C ATOM 1484 C TYR A 87 -2.280 12.729 9.722 1.00 60.45 C ATOM 1485 O TYR A 87 -1.530 13.584 10.195 1.00 1.10 O ATOM 1486 CB TYR A 87 -3.070 10.436 10.341 1.00 53.54 C ATOM 1487 CG TYR A 87 -1.822 9.814 10.934 1.00 34.30 C ATOM 1488 CD1 TYR A 87 -0.567 10.377 10.735 1.00 61.23 C ATOM 1489 CD2 TYR A 87 -1.905 8.659 11.700 1.00 72.41 C ATOM 1490 CE1 TYR A 87 0.567 9.815 11.284 1.00 4.15 C ATOM 1491 CE2 TYR A 87 -0.771 8.086 12.253 1.00 30.25 C ATOM 1492 CZ TYR A 87 0.462 8.672 12.042 1.00 15.14 C ATOM 1493 OH TYR A 87 1.596 8.117 12.601 1.00 50.23 O ATOM 0 H TYR A 87 -5.080 11.805 9.648 1.00 31.04 H new ATOM 0 HA TYR A 87 -2.984 12.140 11.657 1.00 54.54 H new ATOM 0 HB2 TYR A 87 -3.942 9.914 10.734 1.00 53.54 H new ATOM 0 HB3 TYR A 87 -3.062 10.276 9.263 1.00 53.54 H new ATOM 0 HD1 TYR A 87 -0.478 11.273 10.138 1.00 61.23 H new ATOM 0 HD2 TYR A 87 -2.868 8.200 11.867 1.00 72.41 H new ATOM 0 HE1 TYR A 87 1.532 10.270 11.119 1.00 4.15 H new ATOM 0 HE2 TYR A 87 -0.851 7.187 12.845 1.00 30.25 H new ATOM 0 HH TYR A 87 1.374 7.249 12.998 1.00 50.23 H new ATOM 1503 N VAL A 88 -2.328 12.441 8.427 1.00 50.34 N ATOM 1504 CA VAL A 88 -1.394 13.028 7.478 1.00 64.31 C ATOM 1505 C VAL A 88 -1.926 14.336 6.909 1.00 3.12 C ATOM 1506 O VAL A 88 -3.041 14.755 7.220 1.00 22.10 O ATOM 1507 CB VAL A 88 -1.093 12.058 6.315 1.00 3.14 C ATOM 1508 CG1 VAL A 88 -0.387 10.815 6.827 1.00 52.41 C ATOM 1509 CG2 VAL A 88 -2.370 11.680 5.575 1.00 40.34 C ATOM 0 H VAL A 88 -3.006 11.803 8.011 1.00 50.34 H new ATOM 0 HA VAL A 88 -0.474 13.227 8.027 1.00 64.31 H new ATOM 0 HB VAL A 88 -0.433 12.567 5.613 1.00 3.14 H new ATOM 0 HG11 VAL A 88 -0.183 10.143 5.993 1.00 52.41 H new ATOM 0 HG12 VAL A 88 0.552 11.099 7.302 1.00 52.41 H new ATOM 0 HG13 VAL A 88 -1.022 10.309 7.554 1.00 52.41 H new ATOM 0 HG21 VAL A 88 -2.130 10.996 4.761 1.00 40.34 H new ATOM 0 HG22 VAL A 88 -3.060 11.195 6.265 1.00 40.34 H new ATOM 0 HG23 VAL A 88 -2.835 12.578 5.169 1.00 40.34 H new ATOM 1519 N ILE A 89 -1.110 14.974 6.078 1.00 13.52 N ATOM 1520 CA ILE A 89 -1.492 16.213 5.415 1.00 72.21 C ATOM 1521 C ILE A 89 -2.653 15.958 4.458 1.00 70.33 C ATOM 1522 O ILE A 89 -3.719 16.559 4.582 1.00 32.22 O ATOM 1523 CB ILE A 89 -0.297 16.813 4.639 1.00 45.13 C ATOM 1524 CG1 ILE A 89 0.891 17.029 5.582 1.00 33.34 C ATOM 1525 CG2 ILE A 89 -0.689 18.121 3.963 1.00 63.22 C ATOM 1526 CD1 ILE A 89 2.138 17.531 4.888 1.00 75.11 C ATOM 0 H ILE A 89 -0.171 14.649 5.847 1.00 13.52 H new ATOM 0 HA ILE A 89 -1.803 16.926 6.178 1.00 72.21 H new ATOM 0 HB ILE A 89 -0.003 16.108 3.862 1.00 45.13 H new ATOM 0 HG12 ILE A 89 0.604 17.742 6.355 1.00 33.34 H new ATOM 0 HG13 ILE A 89 1.120 16.089 6.085 1.00 33.34 H new ATOM 0 HG21 ILE A 89 0.169 18.523 3.424 1.00 63.22 H new ATOM 0 HG22 ILE A 89 -1.505 17.939 3.263 1.00 63.22 H new ATOM 0 HG23 ILE A 89 -1.012 18.838 4.718 1.00 63.22 H new ATOM 0 HD11 ILE A 89 2.935 17.660 5.620 1.00 75.11 H new ATOM 0 HD12 ILE A 89 2.451 16.808 4.134 1.00 75.11 H new ATOM 0 HD13 ILE A 89 1.928 18.487 4.409 1.00 75.11 H new ATOM 1538 N LYS A 90 -2.434 15.052 3.512 1.00 71.23 N ATOM 1539 CA LYS A 90 -3.467 14.638 2.574 1.00 2.13 C ATOM 1540 C LYS A 90 -3.063 13.335 1.895 1.00 21.42 C ATOM 1541 O LYS A 90 -2.104 12.685 2.313 1.00 53.43 O ATOM 1542 CB LYS A 90 -3.744 15.724 1.527 1.00 31.22 C ATOM 1543 CG LYS A 90 -5.128 16.341 1.664 1.00 41.21 C ATOM 1544 CD LYS A 90 -6.211 15.275 1.609 1.00 2.41 C ATOM 1545 CE LYS A 90 -7.587 15.839 1.935 1.00 14.34 C ATOM 1546 NZ LYS A 90 -8.055 16.812 0.914 1.00 1.53 N ATOM 0 H LYS A 90 -1.537 14.586 3.375 1.00 71.23 H new ATOM 0 HA LYS A 90 -4.388 14.479 3.135 1.00 2.13 H new ATOM 0 HB2 LYS A 90 -2.992 16.508 1.617 1.00 31.22 H new ATOM 0 HB3 LYS A 90 -3.640 15.295 0.530 1.00 31.22 H new ATOM 0 HG2 LYS A 90 -5.196 16.884 2.607 1.00 41.21 H new ATOM 0 HG3 LYS A 90 -5.287 17.066 0.866 1.00 41.21 H new ATOM 0 HD2 LYS A 90 -6.229 14.828 0.615 1.00 2.41 H new ATOM 0 HD3 LYS A 90 -5.970 14.478 2.312 1.00 2.41 H new ATOM 0 HE2 LYS A 90 -8.304 15.021 2.010 1.00 14.34 H new ATOM 0 HE3 LYS A 90 -7.556 16.326 2.910 1.00 14.34 H new ATOM 0 HZ1 LYS A 90 -9.003 17.155 1.170 1.00 1.53 H new ATOM 0 HZ2 LYS A 90 -7.395 17.615 0.872 1.00 1.53 H new ATOM 0 HZ3 LYS A 90 -8.095 16.347 -0.016 1.00 1.53 H new ATOM 1560 N ASN A 91 -3.790 12.968 0.850 1.00 70.44 N ATOM 1561 CA ASN A 91 -3.587 11.690 0.181 1.00 41.44 C ATOM 1562 C ASN A 91 -2.556 11.833 -0.940 1.00 34.54 C ATOM 1563 O ASN A 91 -2.797 12.525 -1.930 1.00 40.22 O ATOM 1564 CB ASN A 91 -4.924 11.188 -0.378 1.00 41.31 C ATOM 1565 CG ASN A 91 -4.945 9.691 -0.618 1.00 32.44 C ATOM 1566 OD1 ASN A 91 -3.920 9.080 -0.921 1.00 31.22 O ATOM 1567 ND2 ASN A 91 -6.116 9.087 -0.481 1.00 4.25 N ATOM 0 H ASN A 91 -4.530 13.541 0.445 1.00 70.44 H new ATOM 0 HA ASN A 91 -3.207 10.965 0.900 1.00 41.44 H new ATOM 0 HB2 ASN A 91 -5.722 11.450 0.317 1.00 41.31 H new ATOM 0 HB3 ASN A 91 -5.135 11.703 -1.315 1.00 41.31 H new ATOM 0 HD21 ASN A 91 -6.191 8.080 -0.628 1.00 4.25 H new ATOM 0 HD22 ASN A 91 -6.943 9.629 -0.229 1.00 4.25 H new ATOM 1574 N PRO A 92 -1.389 11.181 -0.793 1.00 25.11 N ATOM 1575 CA PRO A 92 -0.283 11.262 -1.760 1.00 22.21 C ATOM 1576 C PRO A 92 -0.554 10.500 -3.054 1.00 24.51 C ATOM 1577 O PRO A 92 0.326 10.369 -3.900 1.00 63.11 O ATOM 1578 CB PRO A 92 0.905 10.629 -1.022 1.00 34.14 C ATOM 1579 CG PRO A 92 0.458 10.462 0.393 1.00 14.11 C ATOM 1580 CD PRO A 92 -1.034 10.329 0.344 1.00 24.51 C ATOM 0 HA PRO A 92 -0.117 12.294 -2.069 1.00 22.21 H new ATOM 0 HB2 PRO A 92 1.174 9.669 -1.464 1.00 34.14 H new ATOM 0 HB3 PRO A 92 1.787 11.266 -1.081 1.00 34.14 H new ATOM 0 HG2 PRO A 92 0.913 9.580 0.844 1.00 14.11 H new ATOM 0 HG3 PRO A 92 0.753 11.319 0.999 1.00 14.11 H new ATOM 0 HD2 PRO A 92 -1.345 9.296 0.190 1.00 24.51 H new ATOM 0 HD3 PRO A 92 -1.503 10.668 1.268 1.00 24.51 H new ATOM 1588 N THR A 93 -1.767 10.006 -3.217 1.00 41.03 N ATOM 1589 CA THR A 93 -2.129 9.293 -4.430 1.00 14.20 C ATOM 1590 C THR A 93 -2.727 10.251 -5.460 1.00 74.25 C ATOM 1591 O THR A 93 -3.381 9.829 -6.415 1.00 43.11 O ATOM 1592 CB THR A 93 -3.117 8.152 -4.136 1.00 13.24 C ATOM 1593 OG1 THR A 93 -4.296 8.674 -3.517 1.00 55.01 O ATOM 1594 CG2 THR A 93 -2.479 7.107 -3.230 1.00 1.31 C ATOM 0 H THR A 93 -2.516 10.084 -2.529 1.00 41.03 H new ATOM 0 HA THR A 93 -1.218 8.857 -4.839 1.00 14.20 H new ATOM 0 HB THR A 93 -3.385 7.677 -5.080 1.00 13.24 H new ATOM 0 HG1 THR A 93 -4.285 8.461 -2.560 1.00 55.01 H new ATOM 0 HG21 THR A 93 -3.195 6.309 -3.035 1.00 1.31 H new ATOM 0 HG22 THR A 93 -1.597 6.692 -3.718 1.00 1.31 H new ATOM 0 HG23 THR A 93 -2.187 7.571 -2.288 1.00 1.31 H new ATOM 1602 N TYR A 94 -2.504 11.549 -5.239 1.00 53.50 N ATOM 1603 CA TYR A 94 -2.884 12.583 -6.197 1.00 1.41 C ATOM 1604 C TYR A 94 -2.196 12.334 -7.532 1.00 70.44 C ATOM 1605 O TYR A 94 -2.833 12.298 -8.583 1.00 23.22 O ATOM 1606 CB TYR A 94 -2.493 13.967 -5.655 1.00 31.25 C ATOM 1607 CG TYR A 94 -2.662 15.105 -6.644 1.00 54.10 C ATOM 1608 CD1 TYR A 94 -1.658 15.414 -7.557 1.00 11.24 C ATOM 1609 CD2 TYR A 94 -3.817 15.876 -6.659 1.00 11.04 C ATOM 1610 CE1 TYR A 94 -1.803 16.450 -8.456 1.00 71.44 C ATOM 1611 CE2 TYR A 94 -3.970 16.916 -7.557 1.00 13.44 C ATOM 1612 CZ TYR A 94 -2.960 17.197 -8.454 1.00 11.24 C ATOM 1613 OH TYR A 94 -3.105 18.231 -9.352 1.00 41.53 O ATOM 0 H TYR A 94 -2.057 11.908 -4.395 1.00 53.50 H new ATOM 0 HA TYR A 94 -3.964 12.551 -6.344 1.00 1.41 H new ATOM 0 HB2 TYR A 94 -3.094 14.179 -4.771 1.00 31.25 H new ATOM 0 HB3 TYR A 94 -1.452 13.935 -5.332 1.00 31.25 H new ATOM 0 HD1 TYR A 94 -0.748 14.832 -7.562 1.00 11.24 H new ATOM 0 HD2 TYR A 94 -4.609 15.660 -5.957 1.00 11.04 H new ATOM 0 HE1 TYR A 94 -1.013 16.674 -9.158 1.00 71.44 H new ATOM 0 HE2 TYR A 94 -4.875 17.505 -7.556 1.00 13.44 H new ATOM 0 HH TYR A 94 -3.978 18.658 -9.222 1.00 41.53 H new ATOM 1623 N LYS A 95 -0.884 12.163 -7.478 1.00 53.11 N ATOM 1624 CA LYS A 95 -0.109 11.892 -8.671 1.00 42.42 C ATOM 1625 C LYS A 95 0.221 10.411 -8.730 1.00 55.00 C ATOM 1626 O LYS A 95 1.299 9.981 -8.320 1.00 3.20 O ATOM 1627 CB LYS A 95 1.161 12.756 -8.700 1.00 20.45 C ATOM 1628 CG LYS A 95 1.921 12.703 -10.022 1.00 5.14 C ATOM 1629 CD LYS A 95 0.986 12.855 -11.215 1.00 72.23 C ATOM 1630 CE LYS A 95 0.258 14.191 -11.199 1.00 24.41 C ATOM 1631 NZ LYS A 95 -0.756 14.284 -12.280 1.00 44.43 N ATOM 0 H LYS A 95 -0.337 12.208 -6.618 1.00 53.11 H new ATOM 0 HA LYS A 95 -0.695 12.152 -9.553 1.00 42.42 H new ATOM 0 HB2 LYS A 95 0.888 13.791 -8.491 1.00 20.45 H new ATOM 0 HB3 LYS A 95 1.825 12.433 -7.898 1.00 20.45 H new ATOM 0 HG2 LYS A 95 2.670 13.495 -10.043 1.00 5.14 H new ATOM 0 HG3 LYS A 95 2.456 11.756 -10.097 1.00 5.14 H new ATOM 0 HD2 LYS A 95 1.558 12.764 -12.138 1.00 72.23 H new ATOM 0 HD3 LYS A 95 0.257 12.044 -11.211 1.00 72.23 H new ATOM 0 HE2 LYS A 95 -0.228 14.328 -10.233 1.00 24.41 H new ATOM 0 HE3 LYS A 95 0.981 14.999 -11.309 1.00 24.41 H new ATOM 0 HZ1 LYS A 95 -1.229 15.209 -12.234 1.00 44.43 H new ATOM 0 HZ2 LYS A 95 -0.289 14.179 -13.204 1.00 44.43 H new ATOM 0 HZ3 LYS A 95 -1.461 13.529 -12.161 1.00 44.43 H new ATOM 1645 N ALA A 96 -0.743 9.637 -9.202 1.00 23.43 N ATOM 1646 CA ALA A 96 -0.621 8.194 -9.234 1.00 51.41 C ATOM 1647 C ALA A 96 -1.455 7.605 -10.361 1.00 13.02 C ATOM 1648 O ALA A 96 -2.684 7.696 -10.349 1.00 41.31 O ATOM 1649 CB ALA A 96 -1.055 7.609 -7.898 1.00 30.22 C ATOM 0 H ALA A 96 -1.626 9.991 -9.571 1.00 23.43 H new ATOM 0 HA ALA A 96 0.423 7.939 -9.415 1.00 51.41 H new ATOM 0 HB1 ALA A 96 -0.961 6.523 -7.928 1.00 30.22 H new ATOM 0 HB2 ALA A 96 -0.422 8.006 -7.104 1.00 30.22 H new ATOM 0 HB3 ALA A 96 -2.093 7.878 -7.703 1.00 30.22 H new ATOM 1655 N GLU A 97 -0.790 7.022 -11.346 1.00 44.13 N ATOM 1656 CA GLU A 97 -1.485 6.337 -12.421 1.00 13.01 C ATOM 1657 C GLU A 97 -1.099 4.865 -12.447 1.00 51.44 C ATOM 1658 O GLU A 97 -0.003 4.490 -12.023 1.00 2.13 O ATOM 1659 CB GLU A 97 -1.192 6.981 -13.781 1.00 2.13 C ATOM 1660 CG GLU A 97 0.258 6.878 -14.229 1.00 73.12 C ATOM 1661 CD GLU A 97 0.444 7.344 -15.659 1.00 45.22 C ATOM 1662 OE1 GLU A 97 0.205 6.539 -16.588 1.00 24.32 O ATOM 1663 OE2 GLU A 97 0.806 8.514 -15.865 1.00 0.53 O ATOM 0 H GLU A 97 0.227 7.010 -11.422 1.00 44.13 H new ATOM 0 HA GLU A 97 -2.555 6.424 -12.231 1.00 13.01 H new ATOM 0 HB2 GLU A 97 -1.826 6.513 -14.534 1.00 2.13 H new ATOM 0 HB3 GLU A 97 -1.472 8.034 -13.738 1.00 2.13 H new ATOM 0 HG2 GLU A 97 0.885 7.476 -13.568 1.00 73.12 H new ATOM 0 HG3 GLU A 97 0.593 5.845 -14.138 1.00 73.12 H new ATOM 1670 N LEU A 98 -2.003 4.037 -12.943 1.00 32.34 N ATOM 1671 CA LEU A 98 -1.763 2.606 -13.030 1.00 53.40 C ATOM 1672 C LEU A 98 -1.093 2.271 -14.356 1.00 12.30 C ATOM 1673 O LEU A 98 -1.704 1.678 -15.246 1.00 52.53 O ATOM 1674 CB LEU A 98 -3.081 1.846 -12.880 1.00 1.04 C ATOM 1675 CG LEU A 98 -3.864 2.165 -11.605 1.00 72.22 C ATOM 1676 CD1 LEU A 98 -5.224 1.491 -11.631 1.00 15.33 C ATOM 1677 CD2 LEU A 98 -3.079 1.734 -10.378 1.00 33.25 C ATOM 0 H LEU A 98 -2.914 4.333 -13.293 1.00 32.34 H new ATOM 0 HA LEU A 98 -1.097 2.303 -12.222 1.00 53.40 H new ATOM 0 HB2 LEU A 98 -3.711 2.067 -13.741 1.00 1.04 H new ATOM 0 HB3 LEU A 98 -2.872 0.776 -12.903 1.00 1.04 H new ATOM 0 HG LEU A 98 -4.017 3.243 -11.556 1.00 72.22 H new ATOM 0 HD11 LEU A 98 -5.766 1.730 -10.716 1.00 15.33 H new ATOM 0 HD12 LEU A 98 -5.790 1.847 -12.491 1.00 15.33 H new ATOM 0 HD13 LEU A 98 -5.094 0.411 -11.704 1.00 15.33 H new ATOM 0 HD21 LEU A 98 -3.650 1.968 -9.480 1.00 33.25 H new ATOM 0 HD22 LEU A 98 -2.896 0.660 -10.422 1.00 33.25 H new ATOM 0 HD23 LEU A 98 -2.127 2.264 -10.351 1.00 33.25 H new ATOM 1689 N HIS A 99 0.165 2.670 -14.483 1.00 40.40 N ATOM 1690 CA HIS A 99 0.888 2.548 -15.739 1.00 64.32 C ATOM 1691 C HIS A 99 1.530 1.167 -15.870 1.00 40.54 C ATOM 1692 O HIS A 99 2.755 1.034 -15.869 1.00 44.43 O ATOM 1693 CB HIS A 99 1.953 3.647 -15.835 1.00 51.44 C ATOM 1694 CG HIS A 99 2.386 3.956 -17.240 1.00 51.35 C ATOM 1695 ND1 HIS A 99 1.893 5.027 -17.952 1.00 12.34 N ATOM 1696 CD2 HIS A 99 3.272 3.342 -18.058 1.00 23.25 C ATOM 1697 CE1 HIS A 99 2.452 5.056 -19.147 1.00 24.24 C ATOM 1698 NE2 HIS A 99 3.293 4.043 -19.237 1.00 40.42 N ATOM 0 H HIS A 99 0.708 3.084 -13.725 1.00 40.40 H new ATOM 0 HA HIS A 99 0.180 2.666 -16.559 1.00 64.32 H new ATOM 0 HB2 HIS A 99 1.564 4.557 -15.377 1.00 51.44 H new ATOM 0 HB3 HIS A 99 2.825 3.346 -15.255 1.00 51.44 H new ATOM 0 HD1 HIS A 99 1.202 5.695 -17.609 1.00 12.34 H new ATOM 0 HD2 HIS A 99 3.855 2.463 -17.826 1.00 23.25 H new ATOM 0 HE1 HIS A 99 2.255 5.784 -19.920 1.00 24.24 H new ATOM 1707 N ALA A 100 0.692 0.142 -15.962 1.00 11.23 N ATOM 1708 CA ALA A 100 1.163 -1.217 -16.176 1.00 5.45 C ATOM 1709 C ALA A 100 1.799 -1.333 -17.553 1.00 42.53 C ATOM 1710 O ALA A 100 1.106 -1.415 -18.567 1.00 64.52 O ATOM 1711 CB ALA A 100 0.022 -2.214 -16.025 1.00 63.24 C ATOM 0 H ALA A 100 -0.322 0.229 -15.891 1.00 11.23 H new ATOM 0 HA ALA A 100 1.914 -1.450 -15.421 1.00 5.45 H new ATOM 0 HB1 ALA A 100 0.397 -3.224 -16.189 1.00 63.24 H new ATOM 0 HB2 ALA A 100 -0.395 -2.141 -15.020 1.00 63.24 H new ATOM 0 HB3 ALA A 100 -0.754 -1.992 -16.757 1.00 63.24 H new ATOM 1717 N SER A 101 3.121 -1.341 -17.583 1.00 61.53 N ATOM 1718 CA SER A 101 3.858 -1.308 -18.837 1.00 43.30 C ATOM 1719 C SER A 101 4.114 -2.720 -19.349 1.00 51.03 C ATOM 1720 O SER A 101 4.895 -2.930 -20.276 1.00 72.32 O ATOM 1721 CB SER A 101 5.178 -0.569 -18.625 1.00 44.50 C ATOM 1722 OG SER A 101 4.970 0.614 -17.868 1.00 73.22 O ATOM 0 H SER A 101 3.709 -1.370 -16.750 1.00 61.53 H new ATOM 0 HA SER A 101 3.265 -0.783 -19.586 1.00 43.30 H new ATOM 0 HB2 SER A 101 5.886 -1.218 -18.109 1.00 44.50 H new ATOM 0 HB3 SER A 101 5.620 -0.318 -19.589 1.00 44.50 H new ATOM 0 HG SER A 101 5.825 1.075 -17.740 1.00 73.22 H new