USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1032 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 71 TYR OH : rot 60:sc= 0.499 USER MOD Set 1.2: A 83 CYS SG : rot -80:sc= -2.53! USER MOD Set 2.1: A 8 SER OG : rot -138:sc= -1.11 USER MOD Set 2.2: A 51 TYR OH : rot -149:sc= 0.859 USER MOD Set 2.3: A 53 HIS : no HE2:sc= -3.61! C(o=-3.9!,f=-7!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -178:sc= 1.37 (180deg=0.302) USER MOD Set 3.2: A 121 GLN : amide:sc= 0.0743 K(o=1.4,f=-9.8!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -32:sc= 1.34 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 17 GLN : amide:sc= -0.681 K(o=-0.68,f=0.73) USER MOD Single : A 18 GLN : amide:sc= 1.68 K(o=1.7,f=-3.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.719 K(o=0.72,f=-5.2!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc=-0.000961 X(o=-0.00096,f=-0.11) USER MOD Single : A 40 MET CE :methyl 136:sc= -2.14 (180deg=-3.26!) USER MOD Single : A 43 MET CE :methyl 170:sc= 0 (180deg=-0.112) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 55 ASN : amide:sc= 1.07 K(o=1.1,f=-0.52) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.185) USER MOD Single : A 87 LYS NZ :NH3+ -117:sc= 0.721 (180deg=0.42) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.663) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0284) USER MOD Single : A 110 MET CE :methyl 134:sc= -1.26 (180deg=-3.13!) USER MOD Single : A 113 MET CE :methyl -118:sc= -1.98 (180deg=-2.79!) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= -0.726! (180deg=-0.864!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -34:sc= 0.0102 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -125:sc= 0.618 USER MOD Single : A 129 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.19) USER MOD Single : A 132 CYS SG : rot 75:sc= 1.04 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -118:sc= -1.76 (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 117.574 5.208 -10.391 1.00 0.00 N ATOM 20 CA ALA A 2 116.727 5.950 -9.473 1.00 0.00 C ATOM 21 C ALA A 2 116.829 5.376 -8.065 1.00 0.00 C ATOM 22 O ALA A 2 117.332 4.267 -7.871 1.00 0.00 O ATOM 23 CB ALA A 2 115.282 5.943 -9.954 1.00 0.00 C ATOM 0 HA ALA A 2 117.073 6.983 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.663 6.504 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.224 6.405 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.923 4.915 -10.013 1.00 0.00 H new ATOM 29 N TYR A 3 116.362 6.138 -7.087 1.00 0.00 N ATOM 30 CA TYR A 3 116.418 5.713 -5.701 1.00 0.00 C ATOM 31 C TYR A 3 115.012 5.563 -5.137 1.00 0.00 C ATOM 32 O TYR A 3 114.163 6.441 -5.311 1.00 0.00 O ATOM 33 CB TYR A 3 117.226 6.711 -4.873 1.00 0.00 C ATOM 34 CG TYR A 3 118.621 6.948 -5.413 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.544 5.911 -5.487 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.010 8.205 -5.859 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.815 6.122 -5.987 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.280 8.423 -6.361 1.00 0.00 C ATOM 39 CZ TYR A 3 121.179 7.378 -6.422 1.00 0.00 C ATOM 40 OH TYR A 3 122.445 7.591 -6.919 1.00 0.00 O ATOM 0 H TYR A 3 115.940 7.055 -7.231 1.00 0.00 H new ATOM 0 HA TYR A 3 116.914 4.743 -5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.691 7.660 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.298 6.348 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.263 4.925 -5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.309 9.025 -5.813 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.520 5.306 -6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.567 9.406 -6.704 1.00 0.00 H new ATOM 0 HH TYR A 3 122.539 8.530 -7.183 1.00 0.00 H new ATOM 50 N TRP A 4 114.768 4.440 -4.482 1.00 0.00 N ATOM 51 CA TRP A 4 113.450 4.126 -3.954 1.00 0.00 C ATOM 52 C TRP A 4 113.544 3.711 -2.487 1.00 0.00 C ATOM 53 O TRP A 4 114.630 3.693 -1.908 1.00 0.00 O ATOM 54 CB TRP A 4 112.814 2.996 -4.773 1.00 0.00 C ATOM 55 CG TRP A 4 112.835 3.241 -6.256 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.754 2.767 -7.152 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.902 4.018 -7.014 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.448 3.204 -8.418 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.315 3.973 -8.360 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.755 4.748 -6.687 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.620 4.630 -9.374 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.069 5.399 -7.694 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.503 5.335 -9.022 1.00 0.00 C ATOM 0 H TRP A 4 115.472 3.725 -4.302 1.00 0.00 H new ATOM 0 HA TRP A 4 112.827 5.018 -4.025 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.339 2.065 -4.560 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.782 2.861 -4.450 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.597 2.141 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.978 2.991 -9.263 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.411 4.802 -5.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.952 4.584 -10.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.183 5.967 -7.452 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.943 5.854 -9.786 1.00 0.00 H new ATOM 74 N LEU A 5 112.408 3.382 -1.891 1.00 0.00 N ATOM 75 CA LEU A 5 112.357 2.916 -0.514 1.00 0.00 C ATOM 76 C LEU A 5 111.242 1.884 -0.366 1.00 0.00 C ATOM 77 O LEU A 5 110.098 2.134 -0.756 1.00 0.00 O ATOM 78 CB LEU A 5 112.139 4.108 0.436 1.00 0.00 C ATOM 79 CG LEU A 5 112.287 3.823 1.939 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.605 5.107 2.686 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.020 3.198 2.510 1.00 0.00 C ATOM 0 H LEU A 5 111.497 3.430 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 5 113.303 2.443 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.846 4.893 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.139 4.505 0.261 1.00 0.00 H new ATOM 0 HG LEU A 5 113.106 3.115 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.708 4.893 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.538 5.526 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.798 5.824 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.156 3.008 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.182 3.880 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.815 2.258 1.997 1.00 0.00 H new ATOM 93 N VAL A 6 111.586 0.724 0.178 1.00 0.00 N ATOM 94 CA VAL A 6 110.616 -0.341 0.400 1.00 0.00 C ATOM 95 C VAL A 6 110.503 -0.650 1.889 1.00 0.00 C ATOM 96 O VAL A 6 111.467 -0.492 2.641 1.00 0.00 O ATOM 97 CB VAL A 6 110.985 -1.631 -0.368 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.939 -1.396 -1.869 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.354 -2.150 0.056 1.00 0.00 C ATOM 0 H VAL A 6 112.535 0.496 0.475 1.00 0.00 H new ATOM 0 HA VAL A 6 109.657 0.013 0.022 1.00 0.00 H new ATOM 0 HB VAL A 6 110.246 -2.393 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.202 -2.317 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.934 -1.090 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.648 -0.613 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.587 -3.058 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.110 -1.393 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.345 -2.371 1.123 1.00 0.00 H new ATOM 109 N LYS A 7 109.326 -1.074 2.315 1.00 0.00 N ATOM 110 CA LYS A 7 109.090 -1.385 3.716 1.00 0.00 C ATOM 111 C LYS A 7 108.948 -2.885 3.910 1.00 0.00 C ATOM 112 O LYS A 7 108.134 -3.534 3.253 1.00 0.00 O ATOM 113 CB LYS A 7 107.844 -0.657 4.221 1.00 0.00 C ATOM 114 CG LYS A 7 107.977 0.854 4.163 1.00 0.00 C ATOM 115 CD LYS A 7 106.717 1.555 4.638 1.00 0.00 C ATOM 116 CE LYS A 7 106.903 3.061 4.627 1.00 0.00 C ATOM 117 NZ LYS A 7 107.306 3.554 3.284 1.00 0.00 N ATOM 0 H LYS A 7 108.516 -1.211 1.710 1.00 0.00 H new ATOM 0 HA LYS A 7 109.947 -1.043 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.984 -0.964 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.644 -0.960 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.820 1.168 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.198 1.159 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.879 1.283 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.468 1.222 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.974 3.545 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.660 3.340 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.457 4.582 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.187 3.085 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.556 3.340 2.596 1.00 0.00 H new ATOM 131 N SER A 8 109.755 -3.429 4.802 1.00 0.00 N ATOM 132 CA SER A 8 109.729 -4.847 5.093 1.00 0.00 C ATOM 133 C SER A 8 109.478 -5.066 6.579 1.00 0.00 C ATOM 134 O SER A 8 110.123 -4.441 7.426 1.00 0.00 O ATOM 135 CB SER A 8 111.050 -5.494 4.663 1.00 0.00 C ATOM 136 OG SER A 8 111.014 -6.901 4.817 1.00 0.00 O ATOM 0 H SER A 8 110.442 -2.903 5.341 1.00 0.00 H new ATOM 0 HA SER A 8 108.919 -5.315 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 8 111.255 -5.246 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.867 -5.083 5.256 1.00 0.00 H new ATOM 0 HG SER A 8 111.865 -7.211 5.191 1.00 0.00 H new ATOM 142 N GLU A 9 108.534 -5.938 6.892 1.00 0.00 N ATOM 143 CA GLU A 9 108.178 -6.216 8.273 1.00 0.00 C ATOM 144 C GLU A 9 109.058 -7.337 8.822 1.00 0.00 C ATOM 145 O GLU A 9 108.991 -8.471 8.347 1.00 0.00 O ATOM 146 CB GLU A 9 106.698 -6.599 8.365 1.00 0.00 C ATOM 147 CG GLU A 9 105.786 -5.653 7.594 1.00 0.00 C ATOM 148 CD GLU A 9 104.312 -5.950 7.781 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.876 -7.069 7.455 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.578 -5.053 8.251 1.00 0.00 O ATOM 0 H GLU A 9 107.998 -6.468 6.204 1.00 0.00 H new ATOM 0 HA GLU A 9 108.342 -5.321 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.567 -7.612 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.397 -6.611 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.986 -4.629 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.029 -5.711 6.533 1.00 0.00 H new ATOM 157 N PRO A 10 109.885 -7.036 9.844 1.00 0.00 N ATOM 158 CA PRO A 10 110.863 -7.988 10.395 1.00 0.00 C ATOM 159 C PRO A 10 110.203 -9.225 10.980 1.00 0.00 C ATOM 160 O PRO A 10 110.844 -10.263 11.144 1.00 0.00 O ATOM 161 CB PRO A 10 111.573 -7.200 11.501 1.00 0.00 C ATOM 162 CG PRO A 10 111.253 -5.769 11.237 1.00 0.00 C ATOM 163 CD PRO A 10 109.920 -5.750 10.550 1.00 0.00 C ATOM 0 HA PRO A 10 111.536 -8.355 9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.223 -7.505 12.487 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.649 -7.373 11.477 1.00 0.00 H new ATOM 0 HG2 PRO A 10 111.218 -5.201 12.167 1.00 0.00 H new ATOM 0 HG3 PRO A 10 112.018 -5.309 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.101 -5.661 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 10 109.835 -4.910 9.860 1.00 0.00 H new ATOM 171 N SER A 11 108.921 -9.098 11.287 1.00 0.00 N ATOM 172 CA SER A 11 108.136 -10.202 11.807 1.00 0.00 C ATOM 173 C SER A 11 108.053 -11.325 10.775 1.00 0.00 C ATOM 174 O SER A 11 107.871 -12.493 11.118 1.00 0.00 O ATOM 175 CB SER A 11 106.735 -9.702 12.155 1.00 0.00 C ATOM 176 OG SER A 11 106.792 -8.409 12.741 1.00 0.00 O ATOM 0 H SER A 11 108.399 -8.228 11.182 1.00 0.00 H new ATOM 0 HA SER A 11 108.615 -10.595 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.121 -9.672 11.255 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.256 -10.398 12.844 1.00 0.00 H new ATOM 0 HG SER A 11 107.622 -8.319 13.254 1.00 0.00 H new ATOM 182 N VAL A 12 108.196 -10.956 9.507 1.00 0.00 N ATOM 183 CA VAL A 12 108.132 -11.916 8.417 1.00 0.00 C ATOM 184 C VAL A 12 109.458 -11.968 7.662 1.00 0.00 C ATOM 185 O VAL A 12 109.943 -13.044 7.313 1.00 0.00 O ATOM 186 CB VAL A 12 106.994 -11.575 7.429 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.895 -12.624 6.331 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.666 -11.447 8.159 1.00 0.00 C ATOM 0 H VAL A 12 108.358 -9.994 9.210 1.00 0.00 H new ATOM 0 HA VAL A 12 107.929 -12.891 8.859 1.00 0.00 H new ATOM 0 HB VAL A 12 107.228 -10.616 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 12 106.087 -12.361 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.835 -12.665 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 12 106.692 -13.598 6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.879 -11.207 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 12 105.431 -12.389 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.735 -10.653 8.903 1.00 0.00 H new ATOM 198 N TRP A 13 110.050 -10.804 7.419 1.00 0.00 N ATOM 199 CA TRP A 13 111.267 -10.726 6.628 1.00 0.00 C ATOM 200 C TRP A 13 112.323 -9.877 7.334 1.00 0.00 C ATOM 201 O TRP A 13 112.115 -8.694 7.603 1.00 0.00 O ATOM 202 CB TRP A 13 110.943 -10.145 5.253 1.00 0.00 C ATOM 203 CG TRP A 13 111.860 -10.617 4.172 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.824 -9.894 3.531 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.895 -11.929 3.601 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.451 -10.675 2.593 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.900 -11.928 2.619 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.171 -13.104 3.825 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.202 -13.057 1.864 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.470 -14.223 3.075 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.478 -14.194 2.105 1.00 0.00 C ATOM 0 H TRP A 13 109.706 -9.906 7.758 1.00 0.00 H new ATOM 0 HA TRP A 13 111.674 -11.730 6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.919 -10.408 4.989 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.989 -9.057 5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 13 113.059 -8.859 3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.205 -10.371 1.977 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.391 -13.135 4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 113.980 -13.037 1.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 110.917 -15.136 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 13 112.689 -15.087 1.535 1.00 0.00 H new ATOM 222 N SER A 14 113.450 -10.492 7.649 1.00 0.00 N ATOM 223 CA SER A 14 114.541 -9.807 8.316 1.00 0.00 C ATOM 224 C SER A 14 115.701 -9.561 7.349 1.00 0.00 C ATOM 225 O SER A 14 115.662 -10.010 6.201 1.00 0.00 O ATOM 226 CB SER A 14 114.991 -10.633 9.519 1.00 0.00 C ATOM 227 OG SER A 14 114.943 -12.018 9.224 1.00 0.00 O ATOM 0 H SER A 14 113.633 -11.476 7.450 1.00 0.00 H new ATOM 0 HA SER A 14 114.197 -8.833 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 14 116.006 -10.351 9.800 1.00 0.00 H new ATOM 0 HB3 SER A 14 114.351 -10.416 10.375 1.00 0.00 H new ATOM 0 HG SER A 14 115.237 -12.530 10.007 1.00 0.00 H new ATOM 233 N TRP A 15 116.728 -8.848 7.806 1.00 0.00 N ATOM 234 CA TRP A 15 117.858 -8.498 6.947 1.00 0.00 C ATOM 235 C TRP A 15 118.684 -9.732 6.594 1.00 0.00 C ATOM 236 O TRP A 15 118.978 -9.974 5.424 1.00 0.00 O ATOM 237 CB TRP A 15 118.740 -7.441 7.623 1.00 0.00 C ATOM 238 CG TRP A 15 119.982 -7.102 6.845 1.00 0.00 C ATOM 239 CD1 TRP A 15 121.271 -7.401 7.191 1.00 0.00 C ATOM 240 CD2 TRP A 15 120.056 -6.403 5.593 1.00 0.00 C ATOM 241 NE1 TRP A 15 122.138 -6.930 6.234 1.00 0.00 N ATOM 242 CE2 TRP A 15 121.419 -6.314 5.245 1.00 0.00 C ATOM 243 CE3 TRP A 15 119.107 -5.842 4.733 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.850 -5.690 4.077 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.539 -5.224 3.573 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.898 -5.153 3.255 1.00 0.00 C ATOM 0 H TRP A 15 116.802 -8.502 8.763 1.00 0.00 H new ATOM 0 HA TRP A 15 117.460 -8.082 6.022 1.00 0.00 H new ATOM 0 HB2 TRP A 15 118.155 -6.533 7.770 1.00 0.00 H new ATOM 0 HB3 TRP A 15 119.028 -7.799 8.612 1.00 0.00 H new ATOM 0 HD1 TRP A 15 121.565 -7.930 8.086 1.00 0.00 H new ATOM 0 HE1 TRP A 15 123.153 -7.024 6.257 1.00 0.00 H new ATOM 0 HE3 TRP A 15 118.054 -5.890 4.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.900 -5.632 3.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.813 -4.789 2.902 1.00 0.00 H new ATOM 0 HH2 TRP A 15 121.203 -4.664 2.341 1.00 0.00 H new ATOM 257 N ASP A 16 119.039 -10.516 7.605 1.00 0.00 N ATOM 258 CA ASP A 16 119.834 -11.727 7.394 1.00 0.00 C ATOM 259 C ASP A 16 119.085 -12.712 6.499 1.00 0.00 C ATOM 260 O ASP A 16 119.695 -13.446 5.718 1.00 0.00 O ATOM 261 CB ASP A 16 120.179 -12.381 8.733 1.00 0.00 C ATOM 262 CG ASP A 16 121.045 -13.616 8.576 1.00 0.00 C ATOM 263 OD1 ASP A 16 122.272 -13.470 8.395 1.00 0.00 O ATOM 264 OD2 ASP A 16 120.508 -14.738 8.643 1.00 0.00 O ATOM 0 H ASP A 16 118.791 -10.338 8.578 1.00 0.00 H new ATOM 0 HA ASP A 16 120.762 -11.445 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 16 120.696 -11.658 9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 16 119.258 -12.652 9.248 1.00 0.00 H new ATOM 269 N GLN A 17 117.757 -12.700 6.612 1.00 0.00 N ATOM 270 CA GLN A 17 116.891 -13.496 5.742 1.00 0.00 C ATOM 271 C GLN A 17 117.145 -13.135 4.276 1.00 0.00 C ATOM 272 O GLN A 17 117.244 -14.009 3.416 1.00 0.00 O ATOM 273 CB GLN A 17 115.419 -13.243 6.095 1.00 0.00 C ATOM 274 CG GLN A 17 114.432 -14.028 5.243 1.00 0.00 C ATOM 275 CD GLN A 17 113.950 -15.316 5.893 1.00 0.00 C ATOM 276 OE1 GLN A 17 112.837 -15.776 5.629 1.00 0.00 O ATOM 277 NE2 GLN A 17 114.762 -15.897 6.759 1.00 0.00 N ATOM 0 H GLN A 17 117.254 -12.143 7.303 1.00 0.00 H new ATOM 0 HA GLN A 17 117.116 -14.552 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.259 -13.496 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.209 -12.179 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 17 113.570 -13.396 5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 17 114.900 -14.267 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 17 115.676 -15.489 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 17 114.474 -16.753 7.233 1.00 0.00 H new ATOM 286 N GLN A 18 117.268 -11.838 4.012 1.00 0.00 N ATOM 287 CA GLN A 18 117.520 -11.349 2.662 1.00 0.00 C ATOM 288 C GLN A 18 118.932 -11.725 2.226 1.00 0.00 C ATOM 289 O GLN A 18 119.141 -12.173 1.105 1.00 0.00 O ATOM 290 CB GLN A 18 117.342 -9.827 2.605 1.00 0.00 C ATOM 291 CG GLN A 18 116.548 -9.339 1.401 1.00 0.00 C ATOM 292 CD GLN A 18 117.236 -9.584 0.073 1.00 0.00 C ATOM 293 OE1 GLN A 18 118.462 -9.558 -0.031 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.444 -9.837 -0.951 1.00 0.00 N ATOM 0 H GLN A 18 117.197 -11.105 4.718 1.00 0.00 H new ATOM 0 HA GLN A 18 116.803 -11.811 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.842 -9.496 3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.325 -9.357 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.577 -9.834 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 18 116.360 -8.271 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 18 115.432 -9.849 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 18 116.843 -10.020 -1.871 1.00 0.00 H new ATOM 303 N VAL A 19 119.890 -11.559 3.137 1.00 0.00 N ATOM 304 CA VAL A 19 121.298 -11.855 2.858 1.00 0.00 C ATOM 305 C VAL A 19 121.478 -13.297 2.382 1.00 0.00 C ATOM 306 O VAL A 19 122.329 -13.578 1.532 1.00 0.00 O ATOM 307 CB VAL A 19 122.186 -11.611 4.101 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.650 -11.898 3.793 1.00 0.00 C ATOM 309 CG2 VAL A 19 122.022 -10.186 4.604 1.00 0.00 C ATOM 0 H VAL A 19 119.716 -11.218 4.083 1.00 0.00 H new ATOM 0 HA VAL A 19 121.611 -11.177 2.064 1.00 0.00 H new ATOM 0 HB VAL A 19 121.862 -12.297 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.251 -11.718 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.760 -12.938 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.988 -11.244 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.654 -10.034 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.313 -9.487 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.980 -10.013 4.875 1.00 0.00 H new ATOM 319 N ALA A 20 120.661 -14.200 2.918 1.00 0.00 N ATOM 320 CA ALA A 20 120.711 -15.608 2.537 1.00 0.00 C ATOM 321 C ALA A 20 120.497 -15.773 1.034 1.00 0.00 C ATOM 322 O ALA A 20 121.193 -16.547 0.376 1.00 0.00 O ATOM 323 CB ALA A 20 119.674 -16.401 3.315 1.00 0.00 C ATOM 0 H ALA A 20 119.954 -13.980 3.620 1.00 0.00 H new ATOM 0 HA ALA A 20 121.700 -15.995 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 20 119.722 -17.450 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 20 119.875 -16.314 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 20 118.680 -16.009 3.100 1.00 0.00 H new ATOM 329 N LYS A 21 119.546 -15.020 0.495 1.00 0.00 N ATOM 330 CA LYS A 21 119.278 -15.032 -0.937 1.00 0.00 C ATOM 331 C LYS A 21 119.839 -13.774 -1.587 1.00 0.00 C ATOM 332 O LYS A 21 119.382 -13.362 -2.649 1.00 0.00 O ATOM 333 CB LYS A 21 117.771 -15.127 -1.215 1.00 0.00 C ATOM 334 CG LYS A 21 116.939 -14.061 -0.514 1.00 0.00 C ATOM 335 CD LYS A 21 115.481 -14.117 -0.943 1.00 0.00 C ATOM 336 CE LYS A 21 114.819 -15.428 -0.542 1.00 0.00 C ATOM 337 NZ LYS A 21 113.445 -15.550 -1.099 1.00 0.00 N ATOM 0 H LYS A 21 118.946 -14.392 1.030 1.00 0.00 H new ATOM 0 HA LYS A 21 119.765 -15.909 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.606 -15.053 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.417 -16.110 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.007 -14.197 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.347 -13.075 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 21 114.939 -13.285 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.416 -13.994 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.427 -16.263 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 21 114.777 -15.496 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.030 -16.456 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 112.857 -14.768 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.487 -15.511 -2.137 1.00 0.00 H new ATOM 351 N GLY A 22 120.852 -13.188 -0.959 1.00 0.00 N ATOM 352 CA GLY A 22 121.406 -11.930 -1.431 1.00 0.00 C ATOM 353 C GLY A 22 121.938 -12.009 -2.848 1.00 0.00 C ATOM 354 O GLY A 22 121.873 -11.035 -3.598 1.00 0.00 O ATOM 0 H GLY A 22 121.303 -13.564 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 22 120.637 -11.159 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.211 -11.621 -0.764 1.00 0.00 H new ATOM 358 N ALA A 23 122.456 -13.171 -3.220 1.00 0.00 N ATOM 359 CA ALA A 23 123.028 -13.360 -4.544 1.00 0.00 C ATOM 360 C ALA A 23 121.974 -13.817 -5.550 1.00 0.00 C ATOM 361 O ALA A 23 122.162 -13.696 -6.762 1.00 0.00 O ATOM 362 CB ALA A 23 124.168 -14.360 -4.477 1.00 0.00 C ATOM 0 H ALA A 23 122.492 -13.997 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 23 123.413 -12.400 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.591 -14.496 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.939 -13.988 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.793 -15.315 -4.108 1.00 0.00 H new ATOM 368 N ALA A 24 120.864 -14.334 -5.044 1.00 0.00 N ATOM 369 CA ALA A 24 119.800 -14.835 -5.901 1.00 0.00 C ATOM 370 C ALA A 24 118.751 -13.760 -6.143 1.00 0.00 C ATOM 371 O ALA A 24 118.313 -13.543 -7.274 1.00 0.00 O ATOM 372 CB ALA A 24 119.160 -16.067 -5.282 1.00 0.00 C ATOM 0 H ALA A 24 120.677 -14.417 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 24 120.235 -15.111 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.366 -16.431 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.913 -16.845 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.741 -15.810 -4.309 1.00 0.00 H new ATOM 378 N GLY A 25 118.368 -13.080 -5.077 1.00 0.00 N ATOM 379 CA GLY A 25 117.339 -12.075 -5.169 1.00 0.00 C ATOM 380 C GLY A 25 115.970 -12.645 -4.884 1.00 0.00 C ATOM 381 O GLY A 25 115.804 -13.864 -4.787 1.00 0.00 O ATOM 0 H GLY A 25 118.756 -13.209 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.552 -11.271 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.349 -11.635 -6.166 1.00 0.00 H new ATOM 385 N GLU A 26 114.992 -11.774 -4.735 1.00 0.00 N ATOM 386 CA GLU A 26 113.629 -12.206 -4.496 1.00 0.00 C ATOM 387 C GLU A 26 112.659 -11.360 -5.305 1.00 0.00 C ATOM 388 O GLU A 26 112.965 -10.219 -5.661 1.00 0.00 O ATOM 389 CB GLU A 26 113.290 -12.123 -3.009 1.00 0.00 C ATOM 390 CG GLU A 26 113.324 -10.713 -2.448 1.00 0.00 C ATOM 391 CD GLU A 26 113.055 -10.677 -0.962 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.004 -11.198 -0.538 1.00 0.00 O ATOM 393 OE2 GLU A 26 113.898 -10.134 -0.220 1.00 0.00 O ATOM 0 H GLU A 26 115.116 -10.762 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 26 113.537 -13.245 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 26 112.297 -12.543 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.992 -12.742 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 26 114.299 -10.269 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 26 112.583 -10.102 -2.963 1.00 0.00 H new ATOM 400 N ALA A 27 111.503 -11.929 -5.599 1.00 0.00 N ATOM 401 CA ALA A 27 110.486 -11.236 -6.366 1.00 0.00 C ATOM 402 C ALA A 27 109.472 -10.586 -5.436 1.00 0.00 C ATOM 403 O ALA A 27 108.776 -11.271 -4.685 1.00 0.00 O ATOM 404 CB ALA A 27 109.799 -12.200 -7.321 1.00 0.00 C ATOM 0 H ALA A 27 111.246 -12.874 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 27 110.964 -10.451 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 27 109.038 -11.667 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.536 -12.621 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.331 -13.003 -6.752 1.00 0.00 H new ATOM 410 N TRP A 28 109.400 -9.263 -5.485 1.00 0.00 N ATOM 411 CA TRP A 28 108.472 -8.511 -4.652 1.00 0.00 C ATOM 412 C TRP A 28 107.065 -8.606 -5.242 1.00 0.00 C ATOM 413 O TRP A 28 106.639 -7.738 -6.004 1.00 0.00 O ATOM 414 CB TRP A 28 108.936 -7.051 -4.558 1.00 0.00 C ATOM 415 CG TRP A 28 108.523 -6.344 -3.301 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.802 -5.187 -3.208 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.821 -6.738 -1.955 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.644 -4.832 -1.889 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.254 -5.772 -1.101 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.512 -7.815 -1.387 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.358 -5.850 0.286 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.612 -7.891 -0.010 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.038 -6.915 0.813 1.00 0.00 C ATOM 0 H TRP A 28 109.977 -8.686 -6.097 1.00 0.00 H new ATOM 0 HA TRP A 28 108.450 -8.929 -3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.023 -7.023 -4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.542 -6.503 -5.414 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.413 -4.632 -4.049 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.153 -4.004 -1.552 1.00 0.00 H new ATOM 0 HE3 TRP A 28 109.959 -8.573 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.918 -5.097 0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.142 -8.718 0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.133 -7.004 1.885 1.00 0.00 H new ATOM 434 N THR A 29 106.379 -9.701 -4.934 1.00 0.00 N ATOM 435 CA THR A 29 105.070 -9.990 -5.512 1.00 0.00 C ATOM 436 C THR A 29 103.931 -9.558 -4.592 1.00 0.00 C ATOM 437 O THR A 29 104.126 -9.377 -3.388 1.00 0.00 O ATOM 438 CB THR A 29 104.915 -11.500 -5.795 1.00 0.00 C ATOM 439 OG1 THR A 29 105.259 -12.251 -4.622 1.00 0.00 O ATOM 440 CG2 THR A 29 105.794 -11.939 -6.957 1.00 0.00 C ATOM 0 H THR A 29 106.711 -10.410 -4.281 1.00 0.00 H new ATOM 0 HA THR A 29 105.013 -9.423 -6.441 1.00 0.00 H new ATOM 0 HB THR A 29 103.876 -11.688 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.158 -13.208 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.661 -13.007 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.513 -11.388 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 29 106.838 -11.737 -6.720 1.00 0.00 H new ATOM 448 N GLY A 30 102.743 -9.412 -5.170 1.00 0.00 N ATOM 449 CA GLY A 30 101.557 -9.134 -4.379 1.00 0.00 C ATOM 450 C GLY A 30 101.210 -7.660 -4.324 1.00 0.00 C ATOM 451 O GLY A 30 100.284 -7.258 -3.617 1.00 0.00 O ATOM 0 H GLY A 30 102.580 -9.481 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.713 -9.684 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.709 -9.503 -3.365 1.00 0.00 H new ATOM 455 N VAL A 31 101.941 -6.851 -5.073 1.00 0.00 N ATOM 456 CA VAL A 31 101.722 -5.413 -5.070 1.00 0.00 C ATOM 457 C VAL A 31 100.591 -5.017 -6.022 1.00 0.00 C ATOM 458 O VAL A 31 100.795 -4.792 -7.213 1.00 0.00 O ATOM 459 CB VAL A 31 103.014 -4.639 -5.412 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.960 -4.647 -4.222 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.699 -5.240 -6.630 1.00 0.00 C ATOM 0 H VAL A 31 102.690 -7.164 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 31 101.425 -5.139 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 31 102.744 -3.609 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.867 -4.098 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.475 -4.173 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.217 -5.675 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 31 104.606 -4.678 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.956 -6.279 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 31 103.026 -5.194 -7.486 1.00 0.00 H new ATOM 471 N ARG A 32 99.383 -4.956 -5.483 1.00 0.00 N ATOM 472 CA ARG A 32 98.214 -4.590 -6.271 1.00 0.00 C ATOM 473 C ARG A 32 97.752 -3.179 -5.924 1.00 0.00 C ATOM 474 O ARG A 32 96.610 -2.795 -6.185 1.00 0.00 O ATOM 475 CB ARG A 32 97.087 -5.597 -6.045 1.00 0.00 C ATOM 476 CG ARG A 32 97.460 -7.014 -6.453 1.00 0.00 C ATOM 477 CD ARG A 32 96.270 -7.955 -6.367 1.00 0.00 C ATOM 478 NE ARG A 32 95.753 -8.073 -5.006 1.00 0.00 N ATOM 479 CZ ARG A 32 94.803 -8.935 -4.647 1.00 0.00 C ATOM 480 NH1 ARG A 32 94.250 -9.737 -5.550 1.00 0.00 N ATOM 481 NH2 ARG A 32 94.396 -8.985 -3.387 1.00 0.00 N ATOM 0 H ARG A 32 99.185 -5.155 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 32 98.488 -4.607 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.808 -5.591 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.209 -5.283 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.847 -7.009 -7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 32 98.260 -7.379 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.478 -7.596 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 32 96.562 -8.941 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 32 96.142 -7.460 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 32 94.552 -9.694 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 32 93.523 -10.395 -5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 32 94.810 -8.364 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 32 93.669 -9.645 -3.112 1.00 0.00 H new ATOM 495 N ASN A 33 98.660 -2.408 -5.351 1.00 0.00 N ATOM 496 CA ASN A 33 98.387 -1.020 -5.012 1.00 0.00 C ATOM 497 C ASN A 33 98.760 -0.123 -6.187 1.00 0.00 C ATOM 498 O ASN A 33 99.827 -0.288 -6.775 1.00 0.00 O ATOM 499 CB ASN A 33 99.179 -0.619 -3.767 1.00 0.00 C ATOM 500 CG ASN A 33 98.866 0.791 -3.306 1.00 0.00 C ATOM 501 OD1 ASN A 33 99.490 1.759 -3.749 1.00 0.00 O ATOM 502 ND2 ASN A 33 97.906 0.915 -2.406 1.00 0.00 N ATOM 0 H ASN A 33 99.600 -2.722 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 33 97.324 -0.904 -4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 33 98.959 -1.318 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.245 -0.700 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 33 97.656 1.838 -2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 33 97.415 0.088 -2.067 1.00 0.00 H new ATOM 509 N HIS A 34 97.894 0.826 -6.520 1.00 0.00 N ATOM 510 CA HIS A 34 98.101 1.665 -7.700 1.00 0.00 C ATOM 511 C HIS A 34 99.350 2.531 -7.563 1.00 0.00 C ATOM 512 O HIS A 34 100.221 2.509 -8.433 1.00 0.00 O ATOM 513 CB HIS A 34 96.879 2.550 -7.970 1.00 0.00 C ATOM 514 CG HIS A 34 95.697 1.802 -8.510 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.506 1.573 -9.855 1.00 0.00 N ATOM 516 CD2 HIS A 34 94.640 1.237 -7.881 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.385 0.900 -10.028 1.00 0.00 C ATOM 518 NE2 HIS A 34 93.839 0.683 -8.848 1.00 0.00 N ATOM 0 H HIS A 34 97.045 1.035 -5.995 1.00 0.00 H new ATOM 0 HA HIS A 34 98.242 0.993 -8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.590 3.047 -7.044 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.157 3.331 -8.678 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.460 1.224 -6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 34 93.982 0.580 -10.978 1.00 0.00 H new ATOM 0 HE2 HIS A 34 92.965 0.185 -8.681 1.00 0.00 H new ATOM 527 N SER A 35 99.438 3.281 -6.471 1.00 0.00 N ATOM 528 CA SER A 35 100.566 4.182 -6.245 1.00 0.00 C ATOM 529 C SER A 35 101.872 3.401 -6.119 1.00 0.00 C ATOM 530 O SER A 35 102.902 3.796 -6.674 1.00 0.00 O ATOM 531 CB SER A 35 100.325 5.015 -4.985 1.00 0.00 C ATOM 532 OG SER A 35 99.053 5.636 -5.028 1.00 0.00 O ATOM 0 H SER A 35 98.741 3.284 -5.726 1.00 0.00 H new ATOM 0 HA SER A 35 100.651 4.848 -7.103 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.394 4.377 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.102 5.774 -4.891 1.00 0.00 H new ATOM 0 HG SER A 35 98.918 6.162 -4.212 1.00 0.00 H new ATOM 538 N ALA A 36 101.819 2.287 -5.394 1.00 0.00 N ATOM 539 CA ALA A 36 102.985 1.430 -5.222 1.00 0.00 C ATOM 540 C ALA A 36 103.465 0.900 -6.565 1.00 0.00 C ATOM 541 O ALA A 36 104.642 1.027 -6.903 1.00 0.00 O ATOM 542 CB ALA A 36 102.671 0.278 -4.280 1.00 0.00 C ATOM 0 H ALA A 36 100.980 1.958 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 36 103.783 2.028 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 36 103.555 -0.350 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 36 102.378 0.673 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 36 101.855 -0.316 -4.691 1.00 0.00 H new ATOM 548 N LYS A 37 102.542 0.333 -7.338 1.00 0.00 N ATOM 549 CA LYS A 37 102.879 -0.225 -8.640 1.00 0.00 C ATOM 550 C LYS A 37 103.401 0.868 -9.564 1.00 0.00 C ATOM 551 O LYS A 37 104.320 0.642 -10.341 1.00 0.00 O ATOM 552 CB LYS A 37 101.668 -0.898 -9.290 1.00 0.00 C ATOM 553 CG LYS A 37 102.051 -1.827 -10.429 1.00 0.00 C ATOM 554 CD LYS A 37 100.900 -2.074 -11.391 1.00 0.00 C ATOM 555 CE LYS A 37 100.598 -0.838 -12.226 1.00 0.00 C ATOM 556 NZ LYS A 37 99.718 -1.146 -13.385 1.00 0.00 N ATOM 0 H LYS A 37 101.558 0.249 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 37 103.653 -0.977 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.123 -1.463 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.990 -0.131 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.892 -1.399 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.388 -2.779 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.146 -2.908 -12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 37 100.011 -2.362 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.120 -0.085 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.532 -0.407 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.538 -0.276 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.184 -1.845 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.816 -1.533 -13.042 1.00 0.00 H new ATOM 570 N LEU A 38 102.812 2.057 -9.464 1.00 0.00 N ATOM 571 CA LEU A 38 103.213 3.192 -10.289 1.00 0.00 C ATOM 572 C LEU A 38 104.698 3.498 -10.104 1.00 0.00 C ATOM 573 O LEU A 38 105.407 3.801 -11.063 1.00 0.00 O ATOM 574 CB LEU A 38 102.376 4.425 -9.938 1.00 0.00 C ATOM 575 CG LEU A 38 102.678 5.678 -10.764 1.00 0.00 C ATOM 576 CD1 LEU A 38 102.362 5.444 -12.236 1.00 0.00 C ATOM 577 CD2 LEU A 38 101.895 6.869 -10.232 1.00 0.00 C ATOM 0 H LEU A 38 102.051 2.259 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 38 103.041 2.932 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.322 4.175 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.528 4.659 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 38 103.742 5.897 -10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 38 102.584 6.347 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 38 102.969 4.621 -12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.306 5.196 -12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 38 102.122 7.751 -10.831 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.827 6.657 -10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 38 102.174 7.054 -9.195 1.00 0.00 H new ATOM 589 N HIS A 39 105.166 3.399 -8.868 1.00 0.00 N ATOM 590 CA HIS A 39 106.571 3.650 -8.570 1.00 0.00 C ATOM 591 C HIS A 39 107.430 2.449 -8.952 1.00 0.00 C ATOM 592 O HIS A 39 108.606 2.597 -9.264 1.00 0.00 O ATOM 593 CB HIS A 39 106.770 3.988 -7.089 1.00 0.00 C ATOM 594 CG HIS A 39 106.147 5.287 -6.676 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.433 6.492 -7.287 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.240 5.567 -5.710 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.732 7.452 -6.714 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.003 6.917 -5.757 1.00 0.00 N ATOM 0 H HIS A 39 104.598 3.148 -8.059 1.00 0.00 H new ATOM 0 HA HIS A 39 106.885 4.508 -9.164 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.350 3.185 -6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.838 4.024 -6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.788 4.860 -5.030 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.753 8.498 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.363 7.426 -5.147 1.00 0.00 H new ATOM 607 N MET A 40 106.833 1.264 -8.940 1.00 0.00 N ATOM 608 CA MET A 40 107.561 0.041 -9.264 1.00 0.00 C ATOM 609 C MET A 40 107.712 -0.136 -10.772 1.00 0.00 C ATOM 610 O MET A 40 108.689 -0.715 -11.238 1.00 0.00 O ATOM 611 CB MET A 40 106.870 -1.176 -8.648 1.00 0.00 C ATOM 612 CG MET A 40 106.932 -1.197 -7.129 1.00 0.00 C ATOM 613 SD MET A 40 106.104 -2.627 -6.411 1.00 0.00 S ATOM 614 CE MET A 40 107.047 -3.965 -7.139 1.00 0.00 C ATOM 0 H MET A 40 105.849 1.122 -8.710 1.00 0.00 H new ATOM 0 HA MET A 40 108.560 0.128 -8.838 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.826 -1.191 -8.962 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.333 -2.083 -9.036 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.975 -1.192 -6.813 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.476 -0.287 -6.740 1.00 0.00 H new ATOM 0 HE1 MET A 40 107.269 -4.711 -6.376 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.467 -4.425 -7.939 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.980 -3.574 -7.545 1.00 0.00 H new ATOM 624 N VAL A 41 106.747 0.365 -11.535 1.00 0.00 N ATOM 625 CA VAL A 41 106.850 0.358 -12.990 1.00 0.00 C ATOM 626 C VAL A 41 107.918 1.354 -13.435 1.00 0.00 C ATOM 627 O VAL A 41 108.521 1.212 -14.499 1.00 0.00 O ATOM 628 CB VAL A 41 105.499 0.703 -13.666 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.635 0.728 -15.182 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.424 -0.290 -13.257 1.00 0.00 C ATOM 0 H VAL A 41 105.888 0.779 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 41 107.128 -0.650 -13.299 1.00 0.00 H new ATOM 0 HB VAL A 41 105.205 1.698 -13.330 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.672 0.973 -15.630 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.370 1.480 -15.469 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.961 -0.251 -15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.484 -0.029 -13.743 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.722 -1.294 -13.559 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.294 -0.260 -12.175 1.00 0.00 H new ATOM 640 N ALA A 42 108.161 2.351 -12.595 1.00 0.00 N ATOM 641 CA ALA A 42 109.168 3.362 -12.877 1.00 0.00 C ATOM 642 C ALA A 42 110.555 2.882 -12.454 1.00 0.00 C ATOM 643 O ALA A 42 111.561 3.536 -12.738 1.00 0.00 O ATOM 644 CB ALA A 42 108.819 4.666 -12.175 1.00 0.00 C ATOM 0 H ALA A 42 107.672 2.480 -11.709 1.00 0.00 H new ATOM 0 HA ALA A 42 109.184 3.538 -13.953 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.581 5.413 -12.395 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.851 5.021 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 42 108.775 4.499 -11.099 1.00 0.00 H new ATOM 650 N MET A 43 110.596 1.739 -11.773 1.00 0.00 N ATOM 651 CA MET A 43 111.855 1.152 -11.335 1.00 0.00 C ATOM 652 C MET A 43 112.599 0.555 -12.514 1.00 0.00 C ATOM 653 O MET A 43 112.024 -0.171 -13.332 1.00 0.00 O ATOM 654 CB MET A 43 111.623 0.071 -10.276 1.00 0.00 C ATOM 655 CG MET A 43 111.140 0.611 -8.944 1.00 0.00 C ATOM 656 SD MET A 43 110.824 -0.695 -7.740 1.00 0.00 S ATOM 657 CE MET A 43 110.430 0.278 -6.292 1.00 0.00 C ATOM 0 H MET A 43 109.769 1.202 -11.513 1.00 0.00 H new ATOM 0 HA MET A 43 112.455 1.948 -10.894 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.892 -0.644 -10.654 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.552 -0.476 -10.120 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.885 1.298 -8.543 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.227 1.186 -9.099 1.00 0.00 H new ATOM 0 HE1 MET A 43 110.039 -0.374 -5.511 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.330 0.776 -5.932 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.680 1.026 -6.549 1.00 0.00 H new ATOM 667 N ARG A 44 113.873 0.869 -12.607 1.00 0.00 N ATOM 668 CA ARG A 44 114.702 0.354 -13.675 1.00 0.00 C ATOM 669 C ARG A 44 115.696 -0.657 -13.131 1.00 0.00 C ATOM 670 O ARG A 44 115.980 -0.684 -11.934 1.00 0.00 O ATOM 671 CB ARG A 44 115.430 1.496 -14.376 1.00 0.00 C ATOM 672 CG ARG A 44 114.485 2.520 -14.971 1.00 0.00 C ATOM 673 CD ARG A 44 115.229 3.612 -15.713 1.00 0.00 C ATOM 674 NE ARG A 44 114.306 4.572 -16.312 1.00 0.00 N ATOM 675 CZ ARG A 44 114.139 4.720 -17.625 1.00 0.00 C ATOM 676 NH1 ARG A 44 114.856 3.995 -18.475 1.00 0.00 N ATOM 677 NH2 ARG A 44 113.258 5.598 -18.083 1.00 0.00 N ATOM 0 H ARG A 44 114.359 1.482 -11.952 1.00 0.00 H new ATOM 0 HA ARG A 44 114.064 -0.148 -14.402 1.00 0.00 H new ATOM 0 HB2 ARG A 44 116.091 1.990 -13.664 1.00 0.00 H new ATOM 0 HB3 ARG A 44 116.060 1.088 -15.166 1.00 0.00 H new ATOM 0 HG2 ARG A 44 113.794 2.024 -15.653 1.00 0.00 H new ATOM 0 HG3 ARG A 44 113.885 2.965 -14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 44 115.899 4.129 -15.026 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.850 3.168 -16.491 1.00 0.00 H new ATOM 0 HE ARG A 44 113.757 5.164 -15.688 1.00 0.00 H new ATOM 0 HH11 ARG A 44 115.537 3.322 -18.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 114.726 4.111 -19.480 1.00 0.00 H new ATOM 0 HH21 ARG A 44 112.710 6.158 -17.430 1.00 0.00 H new ATOM 0 HH22 ARG A 44 113.128 5.713 -19.088 1.00 0.00 H new ATOM 691 N ARG A 45 116.220 -1.487 -14.013 1.00 0.00 N ATOM 692 CA ARG A 45 117.166 -2.512 -13.620 1.00 0.00 C ATOM 693 C ARG A 45 118.510 -1.859 -13.299 1.00 0.00 C ATOM 694 O ARG A 45 119.165 -1.300 -14.185 1.00 0.00 O ATOM 695 CB ARG A 45 117.290 -3.542 -14.746 1.00 0.00 C ATOM 696 CG ARG A 45 117.893 -4.866 -14.320 1.00 0.00 C ATOM 697 CD ARG A 45 117.641 -5.945 -15.362 1.00 0.00 C ATOM 698 NE ARG A 45 118.205 -7.229 -14.959 1.00 0.00 N ATOM 699 CZ ARG A 45 117.853 -8.406 -15.477 1.00 0.00 C ATOM 700 NH1 ARG A 45 116.884 -8.484 -16.379 1.00 0.00 N ATOM 701 NH2 ARG A 45 118.455 -9.517 -15.078 1.00 0.00 N ATOM 0 H ARG A 45 116.005 -1.470 -15.010 1.00 0.00 H new ATOM 0 HA ARG A 45 116.821 -3.031 -12.726 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.301 -3.725 -15.165 1.00 0.00 H new ATOM 0 HB3 ARG A 45 117.900 -3.119 -15.544 1.00 0.00 H new ATOM 0 HG2 ARG A 45 118.966 -4.748 -14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 45 117.467 -5.172 -13.365 1.00 0.00 H new ATOM 0 HD2 ARG A 45 116.568 -6.053 -15.521 1.00 0.00 H new ATOM 0 HD3 ARG A 45 118.075 -5.640 -16.314 1.00 0.00 H new ATOM 0 HE ARG A 45 118.918 -7.226 -14.230 1.00 0.00 H new ATOM 0 HH11 ARG A 45 116.401 -7.639 -16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 45 116.622 -9.389 -16.769 1.00 0.00 H new ATOM 0 HH21 ARG A 45 119.190 -9.473 -14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 45 118.183 -10.416 -15.476 1.00 0.00 H new ATOM 715 N GLY A 46 118.900 -1.909 -12.029 1.00 0.00 N ATOM 716 CA GLY A 46 120.076 -1.190 -11.586 1.00 0.00 C ATOM 717 C GLY A 46 119.724 -0.052 -10.643 1.00 0.00 C ATOM 718 O GLY A 46 120.600 0.694 -10.201 1.00 0.00 O ATOM 0 H GLY A 46 118.420 -2.436 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 46 120.755 -1.879 -11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.606 -0.793 -12.452 1.00 0.00 H new ATOM 722 N ASP A 47 118.433 0.094 -10.352 1.00 0.00 N ATOM 723 CA ASP A 47 117.970 1.097 -9.394 1.00 0.00 C ATOM 724 C ASP A 47 118.283 0.657 -7.973 1.00 0.00 C ATOM 725 O ASP A 47 118.473 -0.532 -7.708 1.00 0.00 O ATOM 726 CB ASP A 47 116.463 1.349 -9.527 1.00 0.00 C ATOM 727 CG ASP A 47 116.111 2.305 -10.650 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.021 2.731 -11.396 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.917 2.646 -10.785 1.00 0.00 O ATOM 0 H ASP A 47 117.689 -0.469 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 47 118.497 2.025 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.956 0.399 -9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.084 1.749 -8.587 1.00 0.00 H new ATOM 734 N ARG A 48 118.323 1.613 -7.059 1.00 0.00 N ATOM 735 CA ARG A 48 118.641 1.323 -5.669 1.00 0.00 C ATOM 736 C ARG A 48 117.496 1.749 -4.762 1.00 0.00 C ATOM 737 O ARG A 48 116.877 2.785 -4.980 1.00 0.00 O ATOM 738 CB ARG A 48 119.924 2.041 -5.252 1.00 0.00 C ATOM 739 CG ARG A 48 121.163 1.596 -6.011 1.00 0.00 C ATOM 740 CD ARG A 48 122.393 2.352 -5.537 1.00 0.00 C ATOM 741 NE ARG A 48 123.614 1.918 -6.215 1.00 0.00 N ATOM 742 CZ ARG A 48 124.818 2.437 -5.970 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.957 3.410 -5.078 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.885 1.997 -6.620 1.00 0.00 N ATOM 0 H ARG A 48 118.139 2.597 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 48 118.790 0.248 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.790 3.113 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.087 1.880 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 48 121.314 0.525 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 48 121.019 1.762 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.247 3.419 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.509 2.213 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 48 123.541 1.178 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.142 3.763 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.879 3.805 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 48 125.790 1.256 -7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 48 126.802 2.400 -6.426 1.00 0.00 H new ATOM 758 N ALA A 49 117.223 0.950 -3.748 1.00 0.00 N ATOM 759 CA ALA A 49 116.149 1.241 -2.812 1.00 0.00 C ATOM 760 C ALA A 49 116.624 1.071 -1.377 1.00 0.00 C ATOM 761 O ALA A 49 117.586 0.351 -1.117 1.00 0.00 O ATOM 762 CB ALA A 49 114.955 0.338 -3.085 1.00 0.00 C ATOM 0 H ALA A 49 117.732 0.089 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 49 115.844 2.278 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.157 0.566 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.597 0.505 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.254 -0.704 -2.972 1.00 0.00 H new ATOM 768 N PHE A 50 115.948 1.731 -0.451 1.00 0.00 N ATOM 769 CA PHE A 50 116.268 1.595 0.960 1.00 0.00 C ATOM 770 C PHE A 50 115.470 0.460 1.578 1.00 0.00 C ATOM 771 O PHE A 50 114.257 0.361 1.382 1.00 0.00 O ATOM 772 CB PHE A 50 115.974 2.887 1.728 1.00 0.00 C ATOM 773 CG PHE A 50 117.059 3.925 1.645 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.386 3.582 1.861 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.749 5.247 1.375 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.382 4.539 1.806 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.741 6.208 1.318 1.00 0.00 C ATOM 778 CZ PHE A 50 119.058 5.855 1.533 1.00 0.00 C ATOM 0 H PHE A 50 115.175 2.366 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 50 117.334 1.379 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.048 3.317 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.804 2.641 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.644 2.555 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.721 5.531 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.411 4.259 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.485 7.236 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.834 6.605 1.488 1.00 0.00 H new ATOM 788 N TYR A 51 116.163 -0.398 2.309 1.00 0.00 N ATOM 789 CA TYR A 51 115.527 -1.496 3.012 1.00 0.00 C ATOM 790 C TYR A 51 115.174 -1.054 4.431 1.00 0.00 C ATOM 791 O TYR A 51 116.027 -1.032 5.325 1.00 0.00 O ATOM 792 CB TYR A 51 116.451 -2.721 3.026 1.00 0.00 C ATOM 793 CG TYR A 51 115.858 -3.942 3.687 1.00 0.00 C ATOM 794 CD1 TYR A 51 115.062 -4.834 2.980 1.00 0.00 C ATOM 795 CD2 TYR A 51 116.109 -4.205 5.022 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.531 -5.953 3.594 1.00 0.00 C ATOM 797 CE2 TYR A 51 115.585 -5.314 5.643 1.00 0.00 C ATOM 798 CZ TYR A 51 114.799 -6.188 4.929 1.00 0.00 C ATOM 799 OH TYR A 51 114.277 -7.293 5.557 1.00 0.00 O ATOM 0 H TYR A 51 117.175 -0.352 2.430 1.00 0.00 H new ATOM 0 HA TYR A 51 114.608 -1.777 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.717 -2.972 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.376 -2.458 3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.855 -4.651 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.729 -3.525 5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.911 -6.638 3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 51 115.790 -5.498 6.687 1.00 0.00 H new ATOM 0 HH TYR A 51 114.124 -7.090 6.503 1.00 0.00 H new ATOM 809 N TYR A 52 113.920 -0.674 4.614 1.00 0.00 N ATOM 810 CA TYR A 52 113.441 -0.154 5.886 1.00 0.00 C ATOM 811 C TYR A 52 112.547 -1.171 6.581 1.00 0.00 C ATOM 812 O TYR A 52 111.682 -1.784 5.957 1.00 0.00 O ATOM 813 CB TYR A 52 112.690 1.159 5.637 1.00 0.00 C ATOM 814 CG TYR A 52 111.864 1.665 6.805 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.443 2.395 7.835 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.496 1.423 6.862 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.682 2.864 8.890 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.730 1.891 7.912 1.00 0.00 C ATOM 819 CZ TYR A 52 110.327 2.611 8.922 1.00 0.00 C ATOM 820 OH TYR A 52 109.565 3.081 9.972 1.00 0.00 O ATOM 0 H TYR A 52 113.206 -0.717 3.887 1.00 0.00 H new ATOM 0 HA TYR A 52 114.289 0.038 6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.414 1.927 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 52 112.032 1.025 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.503 2.599 7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 52 110.024 0.859 6.071 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.147 3.426 9.686 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.669 1.693 7.940 1.00 0.00 H new ATOM 0 HH TYR A 52 108.630 2.817 9.842 1.00 0.00 H new ATOM 830 N HIS A 53 112.773 -1.359 7.872 1.00 0.00 N ATOM 831 CA HIS A 53 111.955 -2.264 8.666 1.00 0.00 C ATOM 832 C HIS A 53 110.789 -1.522 9.296 1.00 0.00 C ATOM 833 O HIS A 53 110.987 -0.594 10.078 1.00 0.00 O ATOM 834 CB HIS A 53 112.792 -2.952 9.749 1.00 0.00 C ATOM 835 CG HIS A 53 113.471 -4.196 9.264 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.659 -4.667 9.781 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.094 -5.091 8.318 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.984 -5.794 9.172 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.050 -6.072 8.281 1.00 0.00 N ATOM 0 H HIS A 53 113.517 -0.896 8.393 1.00 0.00 H new ATOM 0 HA HIS A 53 111.560 -3.030 7.998 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.544 -2.254 10.117 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.149 -3.201 10.593 1.00 0.00 H new ATOM 0 HD1 HIS A 53 115.202 -4.216 10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.205 -5.040 7.707 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.865 -6.387 9.370 1.00 0.00 H new ATOM 848 N SER A 54 109.581 -1.927 8.946 1.00 0.00 N ATOM 849 CA SER A 54 108.385 -1.296 9.475 1.00 0.00 C ATOM 850 C SER A 54 107.857 -2.062 10.689 1.00 0.00 C ATOM 851 O SER A 54 108.311 -3.173 10.972 1.00 0.00 O ATOM 852 CB SER A 54 107.322 -1.204 8.379 1.00 0.00 C ATOM 853 OG SER A 54 107.173 -2.438 7.700 1.00 0.00 O ATOM 0 H SER A 54 109.402 -2.692 8.296 1.00 0.00 H new ATOM 0 HA SER A 54 108.634 -0.288 9.806 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.368 -0.911 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.597 -0.426 7.667 1.00 0.00 H new ATOM 0 HG SER A 54 106.486 -2.349 7.007 1.00 0.00 H new ATOM 859 N ASN A 55 106.894 -1.458 11.392 1.00 0.00 N ATOM 860 CA ASN A 55 106.331 -2.014 12.628 1.00 0.00 C ATOM 861 C ASN A 55 107.382 -2.019 13.729 1.00 0.00 C ATOM 862 O ASN A 55 107.442 -1.103 14.546 1.00 0.00 O ATOM 863 CB ASN A 55 105.781 -3.434 12.431 1.00 0.00 C ATOM 864 CG ASN A 55 104.744 -3.527 11.331 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.029 -2.564 11.042 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.651 -4.693 10.717 1.00 0.00 N ATOM 0 H ASN A 55 106.481 -0.566 11.119 1.00 0.00 H new ATOM 0 HA ASN A 55 105.497 -1.374 12.916 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.607 -4.107 12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.340 -3.779 13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 55 103.967 -4.824 9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.263 -5.463 10.989 1.00 0.00 H new ATOM 873 N GLU A 56 108.228 -3.038 13.720 1.00 0.00 N ATOM 874 CA GLU A 56 109.307 -3.151 14.684 1.00 0.00 C ATOM 875 C GLU A 56 110.629 -2.773 14.022 1.00 0.00 C ATOM 876 O GLU A 56 110.793 -2.921 12.808 1.00 0.00 O ATOM 877 CB GLU A 56 109.364 -4.570 15.260 1.00 0.00 C ATOM 878 CG GLU A 56 109.504 -5.656 14.205 1.00 0.00 C ATOM 879 CD GLU A 56 109.524 -7.051 14.796 1.00 0.00 C ATOM 880 OE1 GLU A 56 110.483 -7.377 15.528 1.00 0.00 O ATOM 881 OE2 GLU A 56 108.586 -7.828 14.536 1.00 0.00 O ATOM 0 H GLU A 56 108.185 -3.804 13.048 1.00 0.00 H new ATOM 0 HA GLU A 56 109.124 -2.464 15.510 1.00 0.00 H new ATOM 0 HB2 GLU A 56 110.204 -4.638 15.951 1.00 0.00 H new ATOM 0 HB3 GLU A 56 108.459 -4.754 15.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 108.678 -5.578 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 56 110.422 -5.492 13.641 1.00 0.00 H new ATOM 888 N GLY A 57 111.555 -2.261 14.811 1.00 0.00 N ATOM 889 CA GLY A 57 112.815 -1.798 14.282 1.00 0.00 C ATOM 890 C GLY A 57 112.724 -0.348 13.872 1.00 0.00 C ATOM 891 O GLY A 57 113.409 0.511 14.435 1.00 0.00 O ATOM 0 H GLY A 57 111.454 -2.157 15.821 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.596 -1.920 15.032 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.100 -2.406 13.423 1.00 0.00 H new ATOM 895 N LYS A 58 111.843 -0.084 12.909 1.00 0.00 N ATOM 896 CA LYS A 58 111.621 1.258 12.384 1.00 0.00 C ATOM 897 C LYS A 58 112.934 1.895 11.946 1.00 0.00 C ATOM 898 O LYS A 58 113.194 3.057 12.242 1.00 0.00 O ATOM 899 CB LYS A 58 110.930 2.147 13.424 1.00 0.00 C ATOM 900 CG LYS A 58 109.588 1.616 13.903 1.00 0.00 C ATOM 901 CD LYS A 58 108.808 2.687 14.653 1.00 0.00 C ATOM 902 CE LYS A 58 107.490 2.158 15.201 1.00 0.00 C ATOM 903 NZ LYS A 58 106.680 1.479 14.155 1.00 0.00 N ATOM 0 H LYS A 58 111.262 -0.799 12.471 1.00 0.00 H new ATOM 0 HA LYS A 58 110.969 1.168 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.590 2.262 14.283 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.785 3.140 12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 58 109.006 1.269 13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.746 0.755 14.553 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.415 3.068 15.474 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.612 3.526 13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 58 107.690 1.460 16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.917 2.983 15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.678 1.483 14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 106.789 1.981 13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 107.006 0.497 14.047 1.00 0.00 H new ATOM 917 N GLU A 59 113.749 1.134 11.232 1.00 0.00 N ATOM 918 CA GLU A 59 115.058 1.614 10.824 1.00 0.00 C ATOM 919 C GLU A 59 115.444 1.086 9.448 1.00 0.00 C ATOM 920 O GLU A 59 114.963 0.037 9.009 1.00 0.00 O ATOM 921 CB GLU A 59 116.112 1.205 11.855 1.00 0.00 C ATOM 922 CG GLU A 59 116.172 -0.293 12.104 1.00 0.00 C ATOM 923 CD GLU A 59 117.229 -0.680 13.112 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.521 0.123 14.020 1.00 0.00 O ATOM 925 OE2 GLU A 59 117.770 -1.801 13.008 1.00 0.00 O ATOM 0 H GLU A 59 113.528 0.187 10.925 1.00 0.00 H new ATOM 0 HA GLU A 59 115.011 2.701 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 117.090 1.548 11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.903 1.713 12.796 1.00 0.00 H new ATOM 0 HG2 GLU A 59 115.199 -0.637 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.370 -0.805 11.162 1.00 0.00 H new ATOM 932 N ILE A 60 116.301 1.838 8.771 1.00 0.00 N ATOM 933 CA ILE A 60 116.867 1.419 7.498 1.00 0.00 C ATOM 934 C ILE A 60 118.209 0.749 7.754 1.00 0.00 C ATOM 935 O ILE A 60 119.102 1.350 8.357 1.00 0.00 O ATOM 936 CB ILE A 60 117.066 2.613 6.538 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.741 3.353 6.328 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.629 2.137 5.205 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.860 4.590 5.462 1.00 0.00 C ATOM 0 H ILE A 60 116.622 2.753 9.088 1.00 0.00 H new ATOM 0 HA ILE A 60 116.172 0.725 7.026 1.00 0.00 H new ATOM 0 HB ILE A 60 117.781 3.303 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.023 2.671 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.338 3.639 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.763 2.991 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.591 1.651 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.937 1.428 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.881 5.058 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.552 5.293 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.233 4.310 4.477 1.00 0.00 H new ATOM 951 N VAL A 61 118.351 -0.493 7.319 1.00 0.00 N ATOM 952 CA VAL A 61 119.544 -1.267 7.649 1.00 0.00 C ATOM 953 C VAL A 61 120.410 -1.565 6.426 1.00 0.00 C ATOM 954 O VAL A 61 121.555 -1.992 6.566 1.00 0.00 O ATOM 955 CB VAL A 61 119.186 -2.595 8.355 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.494 -2.327 9.681 1.00 0.00 C ATOM 957 CG2 VAL A 61 118.307 -3.460 7.474 1.00 0.00 C ATOM 0 H VAL A 61 117.667 -0.984 6.744 1.00 0.00 H new ATOM 0 HA VAL A 61 120.120 -0.641 8.330 1.00 0.00 H new ATOM 0 HB VAL A 61 120.115 -3.132 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 61 118.250 -3.274 10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 61 119.157 -1.752 10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.578 -1.763 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 61 118.070 -4.388 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.384 -2.927 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.833 -3.688 6.547 1.00 0.00 H new ATOM 967 N GLY A 62 119.884 -1.336 5.231 1.00 0.00 N ATOM 968 CA GLY A 62 120.659 -1.637 4.046 1.00 0.00 C ATOM 969 C GLY A 62 120.037 -1.123 2.768 1.00 0.00 C ATOM 970 O GLY A 62 118.934 -0.574 2.776 1.00 0.00 O ATOM 0 H GLY A 62 118.953 -0.955 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.654 -1.206 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.785 -2.717 3.970 1.00 0.00 H new ATOM 974 N ILE A 63 120.762 -1.299 1.671 1.00 0.00 N ATOM 975 CA ILE A 63 120.311 -0.876 0.355 1.00 0.00 C ATOM 976 C ILE A 63 120.023 -2.099 -0.513 1.00 0.00 C ATOM 977 O ILE A 63 120.805 -3.053 -0.531 1.00 0.00 O ATOM 978 CB ILE A 63 121.367 0.019 -0.353 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.492 1.390 0.330 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.037 0.198 -1.829 1.00 0.00 C ATOM 981 CD1 ILE A 63 122.251 1.369 1.640 1.00 0.00 C ATOM 0 H ILE A 63 121.682 -1.740 1.671 1.00 0.00 H new ATOM 0 HA ILE A 63 119.402 -0.290 0.490 1.00 0.00 H new ATOM 0 HB ILE A 63 122.326 -0.492 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.989 2.079 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 63 120.492 1.785 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 63 121.793 0.828 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.022 -0.775 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.059 0.669 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 63 122.292 2.377 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 63 121.744 0.709 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.264 1.006 1.468 1.00 0.00 H new ATOM 993 N ALA A 64 118.900 -2.074 -1.216 1.00 0.00 N ATOM 994 CA ALA A 64 118.530 -3.160 -2.112 1.00 0.00 C ATOM 995 C ALA A 64 118.610 -2.701 -3.564 1.00 0.00 C ATOM 996 O ALA A 64 118.410 -1.524 -3.859 1.00 0.00 O ATOM 997 CB ALA A 64 117.130 -3.661 -1.787 1.00 0.00 C ATOM 0 H ALA A 64 118.226 -1.309 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 64 119.232 -3.982 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.867 -4.473 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.103 -4.024 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.416 -2.846 -1.903 1.00 0.00 H new ATOM 1003 N GLU A 65 118.913 -3.620 -4.465 1.00 0.00 N ATOM 1004 CA GLU A 65 119.012 -3.293 -5.882 1.00 0.00 C ATOM 1005 C GLU A 65 117.832 -3.872 -6.646 1.00 0.00 C ATOM 1006 O GLU A 65 117.384 -4.983 -6.353 1.00 0.00 O ATOM 1007 CB GLU A 65 120.301 -3.854 -6.473 1.00 0.00 C ATOM 1008 CG GLU A 65 120.997 -2.922 -7.447 1.00 0.00 C ATOM 1009 CD GLU A 65 122.173 -3.590 -8.126 1.00 0.00 C ATOM 1010 OE1 GLU A 65 123.087 -4.057 -7.413 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.182 -3.665 -9.370 1.00 0.00 O ATOM 0 H GLU A 65 119.095 -4.599 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 65 119.011 -2.207 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 65 120.988 -4.090 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.076 -4.791 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.285 -2.587 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 65 121.341 -2.034 -6.917 1.00 0.00 H new ATOM 1018 N ILE A 66 117.339 -3.124 -7.620 1.00 0.00 N ATOM 1019 CA ILE A 66 116.296 -3.613 -8.506 1.00 0.00 C ATOM 1020 C ILE A 66 116.940 -4.358 -9.672 1.00 0.00 C ATOM 1021 O ILE A 66 117.362 -3.748 -10.652 1.00 0.00 O ATOM 1022 CB ILE A 66 115.419 -2.461 -9.052 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.901 -1.582 -7.905 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.257 -3.013 -9.866 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.033 -2.320 -6.905 1.00 0.00 C ATOM 0 H ILE A 66 117.646 -2.172 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 66 115.651 -4.281 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 66 116.036 -1.844 -9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.752 -1.148 -7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.330 -0.754 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.652 -2.188 -10.242 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.643 -3.591 -10.705 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.643 -3.655 -9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.707 -1.630 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.161 -2.731 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.606 -3.131 -6.455 1.00 0.00 H new ATOM 1037 N ILE A 67 117.031 -5.674 -9.555 1.00 0.00 N ATOM 1038 CA ILE A 67 117.782 -6.470 -10.522 1.00 0.00 C ATOM 1039 C ILE A 67 116.881 -7.108 -11.572 1.00 0.00 C ATOM 1040 O ILE A 67 117.287 -8.035 -12.270 1.00 0.00 O ATOM 1041 CB ILE A 67 118.628 -7.563 -9.837 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.755 -8.448 -8.944 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.749 -6.923 -9.035 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.503 -9.600 -8.308 1.00 0.00 C ATOM 0 H ILE A 67 116.598 -6.214 -8.806 1.00 0.00 H new ATOM 0 HA ILE A 67 118.451 -5.771 -11.023 1.00 0.00 H new ATOM 0 HB ILE A 67 119.067 -8.199 -10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.316 -7.834 -8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.931 -8.845 -9.536 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.342 -7.701 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.386 -6.340 -9.701 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.324 -6.268 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.819 -10.181 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.919 -10.238 -9.087 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.310 -9.211 -7.688 1.00 0.00 H new ATOM 1056 N ARG A 68 115.662 -6.609 -11.687 1.00 0.00 N ATOM 1057 CA ARG A 68 114.787 -6.988 -12.786 1.00 0.00 C ATOM 1058 C ARG A 68 113.775 -5.889 -13.023 1.00 0.00 C ATOM 1059 O ARG A 68 113.211 -5.353 -12.070 1.00 0.00 O ATOM 1060 CB ARG A 68 114.045 -8.299 -12.508 1.00 0.00 C ATOM 1061 CG ARG A 68 113.454 -8.924 -13.767 1.00 0.00 C ATOM 1062 CD ARG A 68 112.344 -9.923 -13.460 1.00 0.00 C ATOM 1063 NE ARG A 68 112.744 -10.924 -12.477 1.00 0.00 N ATOM 1064 CZ ARG A 68 112.825 -12.230 -12.717 1.00 0.00 C ATOM 1065 NH1 ARG A 68 112.503 -12.719 -13.909 1.00 0.00 N ATOM 1066 NH2 ARG A 68 113.212 -13.051 -11.750 1.00 0.00 N ATOM 0 H ARG A 68 115.255 -5.940 -11.033 1.00 0.00 H new ATOM 0 HA ARG A 68 115.411 -7.136 -13.667 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.731 -9.008 -12.044 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.245 -8.113 -11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.061 -8.136 -14.409 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.245 -9.425 -14.325 1.00 0.00 H new ATOM 0 HD2 ARG A 68 111.470 -9.387 -13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.046 -10.423 -14.381 1.00 0.00 H new ATOM 0 HE ARG A 68 112.978 -10.599 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 68 112.190 -12.092 -14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 68 112.568 -13.722 -14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 68 113.445 -12.680 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 68 113.276 -14.053 -11.927 1.00 0.00 H new ATOM 1080 N GLU A 69 113.561 -5.542 -14.282 1.00 0.00 N ATOM 1081 CA GLU A 69 112.544 -4.556 -14.625 1.00 0.00 C ATOM 1082 C GLU A 69 111.142 -5.112 -14.374 1.00 0.00 C ATOM 1083 O GLU A 69 110.968 -6.312 -14.148 1.00 0.00 O ATOM 1084 CB GLU A 69 112.682 -4.100 -16.077 1.00 0.00 C ATOM 1085 CG GLU A 69 113.955 -3.320 -16.348 1.00 0.00 C ATOM 1086 CD GLU A 69 113.913 -2.585 -17.668 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.313 -3.169 -18.696 1.00 0.00 O ATOM 1088 OE2 GLU A 69 113.477 -1.417 -17.687 1.00 0.00 O ATOM 0 H GLU A 69 114.072 -5.923 -15.078 1.00 0.00 H new ATOM 0 HA GLU A 69 112.695 -3.689 -13.982 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.655 -4.974 -16.728 1.00 0.00 H new ATOM 0 HB3 GLU A 69 111.824 -3.481 -16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.117 -2.604 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.804 -4.003 -16.343 1.00 0.00 H new ATOM 1095 N ALA A 70 110.152 -4.232 -14.434 1.00 0.00 N ATOM 1096 CA ALA A 70 108.782 -4.583 -14.085 1.00 0.00 C ATOM 1097 C ALA A 70 108.169 -5.589 -15.060 1.00 0.00 C ATOM 1098 O ALA A 70 107.958 -5.289 -16.239 1.00 0.00 O ATOM 1099 CB ALA A 70 107.929 -3.326 -14.014 1.00 0.00 C ATOM 0 H ALA A 70 110.274 -3.262 -14.724 1.00 0.00 H new ATOM 0 HA ALA A 70 108.807 -5.065 -13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.906 -3.595 -13.753 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.333 -2.655 -13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 107.937 -2.826 -14.983 1.00 0.00 H new ATOM 1105 N TYR A 71 107.896 -6.784 -14.558 1.00 0.00 N ATOM 1106 CA TYR A 71 107.183 -7.798 -15.323 1.00 0.00 C ATOM 1107 C TYR A 71 105.847 -8.088 -14.644 1.00 0.00 C ATOM 1108 O TYR A 71 105.727 -7.909 -13.436 1.00 0.00 O ATOM 1109 CB TYR A 71 108.020 -9.083 -15.435 1.00 0.00 C ATOM 1110 CG TYR A 71 108.131 -9.875 -14.145 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.026 -9.506 -13.148 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.336 -10.995 -13.926 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.124 -10.228 -11.974 1.00 0.00 C ATOM 1114 CE2 TYR A 71 107.428 -11.718 -12.753 1.00 0.00 C ATOM 1115 CZ TYR A 71 108.323 -11.331 -11.780 1.00 0.00 C ATOM 1116 OH TYR A 71 108.415 -12.047 -10.609 1.00 0.00 O ATOM 0 H TYR A 71 108.159 -7.077 -13.617 1.00 0.00 H new ATOM 0 HA TYR A 71 107.005 -7.427 -16.332 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.582 -9.721 -16.202 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.022 -8.821 -15.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.655 -8.640 -13.293 1.00 0.00 H new ATOM 0 HD2 TYR A 71 106.635 -11.305 -14.687 1.00 0.00 H new ATOM 0 HE1 TYR A 71 109.827 -9.928 -11.211 1.00 0.00 H new ATOM 0 HE2 TYR A 71 106.801 -12.584 -12.599 1.00 0.00 H new ATOM 0 HH TYR A 71 108.199 -11.464 -9.851 1.00 0.00 H new ATOM 1126 N PRO A 72 104.825 -8.517 -15.400 1.00 0.00 N ATOM 1127 CA PRO A 72 103.502 -8.830 -14.840 1.00 0.00 C ATOM 1128 C PRO A 72 103.574 -9.868 -13.719 1.00 0.00 C ATOM 1129 O PRO A 72 104.130 -10.952 -13.904 1.00 0.00 O ATOM 1130 CB PRO A 72 102.712 -9.380 -16.038 1.00 0.00 C ATOM 1131 CG PRO A 72 103.732 -9.680 -17.087 1.00 0.00 C ATOM 1132 CD PRO A 72 104.864 -8.724 -16.854 1.00 0.00 C ATOM 0 HA PRO A 72 103.041 -7.953 -14.385 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.157 -10.277 -15.763 1.00 0.00 H new ATOM 0 HB3 PRO A 72 101.984 -8.652 -16.396 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.073 -10.713 -17.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.313 -9.552 -18.085 1.00 0.00 H new ATOM 0 HD2 PRO A 72 105.818 -9.141 -17.177 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.723 -7.791 -17.399 1.00 0.00 H new ATOM 1140 N ASP A 73 103.012 -9.520 -12.562 1.00 0.00 N ATOM 1141 CA ASP A 73 103.047 -10.387 -11.385 1.00 0.00 C ATOM 1142 C ASP A 73 102.390 -11.730 -11.691 1.00 0.00 C ATOM 1143 O ASP A 73 101.260 -11.780 -12.188 1.00 0.00 O ATOM 1144 CB ASP A 73 102.338 -9.715 -10.200 1.00 0.00 C ATOM 1145 CG ASP A 73 102.567 -10.439 -8.879 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.345 -11.668 -8.818 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.951 -9.775 -7.892 1.00 0.00 O ATOM 0 H ASP A 73 102.524 -8.637 -12.414 1.00 0.00 H new ATOM 0 HA ASP A 73 104.090 -10.558 -11.119 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.689 -8.687 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.268 -9.670 -10.402 1.00 0.00 H new ATOM 1152 N PRO A 74 103.096 -12.834 -11.411 1.00 0.00 N ATOM 1153 CA PRO A 74 102.611 -14.191 -11.682 1.00 0.00 C ATOM 1154 C PRO A 74 101.354 -14.562 -10.888 1.00 0.00 C ATOM 1155 O PRO A 74 100.643 -15.497 -11.258 1.00 0.00 O ATOM 1156 CB PRO A 74 103.780 -15.091 -11.265 1.00 0.00 C ATOM 1157 CG PRO A 74 104.969 -14.195 -11.211 1.00 0.00 C ATOM 1158 CD PRO A 74 104.446 -12.845 -10.823 1.00 0.00 C ATOM 0 HA PRO A 74 102.318 -14.294 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.593 -15.554 -10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 74 103.929 -15.899 -11.981 1.00 0.00 H new ATOM 0 HG2 PRO A 74 105.698 -14.556 -10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.474 -14.156 -12.176 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.416 -12.719 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.066 -12.042 -11.221 1.00 0.00 H new ATOM 1242 N PHE A 81 99.234 -5.929 -12.750 1.00 0.00 N ATOM 1243 CA PHE A 81 100.183 -5.530 -11.725 1.00 0.00 C ATOM 1244 C PHE A 81 101.548 -6.131 -12.032 1.00 0.00 C ATOM 1245 O PHE A 81 101.636 -7.158 -12.704 1.00 0.00 O ATOM 1246 CB PHE A 81 99.687 -5.963 -10.345 1.00 0.00 C ATOM 1247 CG PHE A 81 98.325 -5.419 -10.020 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.155 -4.073 -9.743 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.215 -6.248 -10.006 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.904 -3.563 -9.455 1.00 0.00 C ATOM 1251 CE2 PHE A 81 95.961 -5.745 -9.719 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.805 -4.401 -9.442 1.00 0.00 C ATOM 0 HA PHE A 81 100.276 -4.444 -11.720 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.659 -7.052 -10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.397 -5.630 -9.588 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.011 -3.414 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.332 -7.300 -10.222 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.785 -2.511 -9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.104 -6.402 -9.711 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.826 -4.005 -9.216 1.00 0.00 H new ATOM 1262 N VAL A 82 102.606 -5.493 -11.554 1.00 0.00 N ATOM 1263 CA VAL A 82 103.957 -5.914 -11.905 1.00 0.00 C ATOM 1264 C VAL A 82 104.770 -6.292 -10.676 1.00 0.00 C ATOM 1265 O VAL A 82 104.395 -5.986 -9.550 1.00 0.00 O ATOM 1266 CB VAL A 82 104.716 -4.819 -12.686 1.00 0.00 C ATOM 1267 CG1 VAL A 82 104.008 -4.497 -13.992 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.880 -3.567 -11.837 1.00 0.00 C ATOM 0 H VAL A 82 102.558 -4.689 -10.928 1.00 0.00 H new ATOM 0 HA VAL A 82 103.841 -6.792 -12.541 1.00 0.00 H new ATOM 0 HB VAL A 82 105.709 -5.200 -12.925 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.561 -3.723 -14.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.955 -5.395 -14.608 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.999 -4.142 -13.781 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.417 -2.809 -12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.898 -3.184 -11.560 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.443 -3.810 -10.936 1.00 0.00 H new ATOM 1278 N CYS A 83 105.886 -6.952 -10.918 1.00 0.00 N ATOM 1279 CA CYS A 83 106.782 -7.387 -9.866 1.00 0.00 C ATOM 1280 C CYS A 83 108.223 -7.067 -10.254 1.00 0.00 C ATOM 1281 O CYS A 83 108.531 -6.934 -11.440 1.00 0.00 O ATOM 1282 CB CYS A 83 106.607 -8.890 -9.641 1.00 0.00 C ATOM 1283 SG CYS A 83 107.699 -9.588 -8.387 1.00 0.00 S ATOM 0 H CYS A 83 106.198 -7.203 -11.856 1.00 0.00 H new ATOM 0 HA CYS A 83 106.547 -6.862 -8.940 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.574 -9.084 -9.354 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.779 -9.409 -10.584 1.00 0.00 H new ATOM 0 HG CYS A 83 108.876 -9.789 -8.900 1.00 0.00 H new ATOM 1289 N VAL A 84 109.094 -6.922 -9.259 1.00 0.00 N ATOM 1290 CA VAL A 84 110.507 -6.656 -9.503 1.00 0.00 C ATOM 1291 C VAL A 84 111.381 -7.511 -8.589 1.00 0.00 C ATOM 1292 O VAL A 84 110.939 -7.943 -7.519 1.00 0.00 O ATOM 1293 CB VAL A 84 110.867 -5.164 -9.291 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.148 -4.277 -10.297 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.554 -4.724 -7.867 1.00 0.00 C ATOM 0 H VAL A 84 108.844 -6.985 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 84 110.696 -6.911 -10.546 1.00 0.00 H new ATOM 0 HB VAL A 84 111.940 -5.057 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.420 -3.236 -10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.438 -4.564 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.071 -4.395 -10.181 1.00 0.00 H new ATOM 0 HG21 VAL A 84 110.816 -3.673 -7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.490 -4.858 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.131 -5.326 -7.165 1.00 0.00 H new ATOM 1305 N ASP A 85 112.611 -7.756 -9.021 1.00 0.00 N ATOM 1306 CA ASP A 85 113.570 -8.520 -8.225 1.00 0.00 C ATOM 1307 C ASP A 85 114.418 -7.589 -7.383 1.00 0.00 C ATOM 1308 O ASP A 85 114.994 -6.631 -7.900 1.00 0.00 O ATOM 1309 CB ASP A 85 114.503 -9.345 -9.113 1.00 0.00 C ATOM 1310 CG ASP A 85 113.911 -10.657 -9.569 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.703 -10.703 -9.846 1.00 0.00 O ATOM 1312 OD2 ASP A 85 114.676 -11.641 -9.704 1.00 0.00 O ATOM 0 H ASP A 85 112.971 -7.437 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 85 112.994 -9.190 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.771 -8.754 -9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 85 115.426 -9.544 -8.568 1.00 0.00 H new ATOM 1317 N ILE A 86 114.510 -7.875 -6.098 1.00 0.00 N ATOM 1318 CA ILE A 86 115.347 -7.089 -5.208 1.00 0.00 C ATOM 1319 C ILE A 86 116.397 -7.970 -4.541 1.00 0.00 C ATOM 1320 O ILE A 86 116.150 -9.141 -4.250 1.00 0.00 O ATOM 1321 CB ILE A 86 114.523 -6.358 -4.122 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.680 -7.352 -3.314 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.638 -5.291 -4.754 1.00 0.00 C ATOM 1324 CD1 ILE A 86 112.936 -6.717 -2.159 1.00 0.00 C ATOM 0 H ILE A 86 114.016 -8.645 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 86 115.837 -6.334 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 86 115.217 -5.870 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.961 -7.831 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.330 -8.138 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.065 -4.786 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.261 -4.564 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.954 -5.758 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.361 -7.479 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.650 -6.263 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.260 -5.951 -2.539 1.00 0.00 H new ATOM 1336 N LYS A 87 117.579 -7.409 -4.332 1.00 0.00 N ATOM 1337 CA LYS A 87 118.644 -8.103 -3.622 1.00 0.00 C ATOM 1338 C LYS A 87 119.391 -7.121 -2.734 1.00 0.00 C ATOM 1339 O LYS A 87 119.534 -5.948 -3.086 1.00 0.00 O ATOM 1340 CB LYS A 87 119.631 -8.764 -4.597 1.00 0.00 C ATOM 1341 CG LYS A 87 120.450 -7.771 -5.415 1.00 0.00 C ATOM 1342 CD LYS A 87 121.642 -8.441 -6.087 1.00 0.00 C ATOM 1343 CE LYS A 87 122.464 -7.444 -6.895 1.00 0.00 C ATOM 1344 NZ LYS A 87 122.972 -6.323 -6.059 1.00 0.00 N ATOM 0 H LYS A 87 117.826 -6.470 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 87 118.190 -8.885 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.311 -9.403 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.077 -9.410 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.815 -7.313 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.802 -6.968 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.274 -8.905 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.291 -9.239 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.306 -7.960 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 87 121.853 -7.043 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 122.564 -5.427 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.700 -6.478 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.009 -6.279 -6.130 1.00 0.00 H new ATOM 1358 N ALA A 88 119.843 -7.590 -1.581 1.00 0.00 N ATOM 1359 CA ALA A 88 120.676 -6.779 -0.707 1.00 0.00 C ATOM 1360 C ALA A 88 121.997 -6.447 -1.394 1.00 0.00 C ATOM 1361 O ALA A 88 122.744 -7.342 -1.784 1.00 0.00 O ATOM 1362 CB ALA A 88 120.933 -7.504 0.604 1.00 0.00 C ATOM 0 H ALA A 88 119.647 -8.527 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 88 120.150 -5.849 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.558 -6.884 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.984 -7.702 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.442 -8.447 0.405 1.00 0.00 H new ATOM 1368 N ASP A 89 122.266 -5.161 -1.558 1.00 0.00 N ATOM 1369 CA ASP A 89 123.500 -4.720 -2.195 1.00 0.00 C ATOM 1370 C ASP A 89 124.559 -4.413 -1.148 1.00 0.00 C ATOM 1371 O ASP A 89 125.634 -5.015 -1.141 1.00 0.00 O ATOM 1372 CB ASP A 89 123.258 -3.484 -3.066 1.00 0.00 C ATOM 1373 CG ASP A 89 124.556 -2.871 -3.560 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.261 -3.524 -4.359 1.00 0.00 O ATOM 1375 OD2 ASP A 89 124.889 -1.749 -3.128 1.00 0.00 O ATOM 0 H ASP A 89 121.649 -4.405 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 89 123.854 -5.530 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.639 -3.758 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 89 122.701 -2.741 -2.494 1.00 0.00 H new ATOM 1380 N LYS A 90 124.251 -3.477 -0.264 1.00 0.00 N ATOM 1381 CA LYS A 90 125.176 -3.089 0.785 1.00 0.00 C ATOM 1382 C LYS A 90 124.416 -2.728 2.057 1.00 0.00 C ATOM 1383 O LYS A 90 123.396 -2.039 2.005 1.00 0.00 O ATOM 1384 CB LYS A 90 126.047 -1.906 0.333 1.00 0.00 C ATOM 1385 CG LYS A 90 125.273 -0.620 0.059 1.00 0.00 C ATOM 1386 CD LYS A 90 126.205 0.555 -0.217 1.00 0.00 C ATOM 1387 CE LYS A 90 126.429 0.795 -1.708 1.00 0.00 C ATOM 1388 NZ LYS A 90 126.991 -0.391 -2.406 1.00 0.00 N ATOM 0 H LYS A 90 123.365 -2.972 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 90 125.829 -3.937 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.796 -1.708 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.585 -2.191 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 90 124.613 -0.768 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 90 124.639 -0.388 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 90 125.789 1.456 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 90 127.165 0.372 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 90 125.482 1.069 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.105 1.641 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 127.311 -0.115 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 127.797 -0.763 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 126.259 -1.125 -2.487 1.00 0.00 H new ATOM 1402 N PRO A 91 124.880 -3.214 3.212 1.00 0.00 N ATOM 1403 CA PRO A 91 124.293 -2.866 4.499 1.00 0.00 C ATOM 1404 C PRO A 91 124.846 -1.551 5.039 1.00 0.00 C ATOM 1405 O PRO A 91 125.950 -1.134 4.675 1.00 0.00 O ATOM 1406 CB PRO A 91 124.715 -4.034 5.388 1.00 0.00 C ATOM 1407 CG PRO A 91 126.026 -4.481 4.832 1.00 0.00 C ATOM 1408 CD PRO A 91 126.005 -4.159 3.356 1.00 0.00 C ATOM 0 HA PRO A 91 123.214 -2.719 4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.811 -3.725 6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.979 -4.838 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.851 -3.970 5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 91 126.170 -5.549 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.945 -3.713 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.853 -5.055 2.754 1.00 0.00 H new ATOM 1416 N LEU A 92 124.078 -0.894 5.893 1.00 0.00 N ATOM 1417 CA LEU A 92 124.540 0.322 6.539 1.00 0.00 C ATOM 1418 C LEU A 92 125.374 -0.031 7.759 1.00 0.00 C ATOM 1419 O LEU A 92 125.027 -0.939 8.517 1.00 0.00 O ATOM 1420 CB LEU A 92 123.360 1.213 6.939 1.00 0.00 C ATOM 1421 CG LEU A 92 122.605 1.853 5.771 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.430 2.673 6.282 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.541 2.726 4.946 1.00 0.00 C ATOM 0 H LEU A 92 123.135 -1.182 6.154 1.00 0.00 H new ATOM 0 HA LEU A 92 125.156 0.879 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.658 0.619 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.727 2.005 7.592 1.00 0.00 H new ATOM 0 HG LEU A 92 122.221 1.057 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.905 3.121 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.747 2.026 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.795 3.460 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.988 3.173 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.953 3.515 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.353 2.116 4.551 1.00 0.00 H new ATOM 1435 N LYS A 93 126.478 0.679 7.941 1.00 0.00 N ATOM 1436 CA LYS A 93 127.384 0.408 9.049 1.00 0.00 C ATOM 1437 C LYS A 93 126.724 0.802 10.370 1.00 0.00 C ATOM 1438 O LYS A 93 127.054 0.277 11.434 1.00 0.00 O ATOM 1439 CB LYS A 93 128.706 1.155 8.842 1.00 0.00 C ATOM 1440 CG LYS A 93 129.857 0.636 9.696 1.00 0.00 C ATOM 1441 CD LYS A 93 131.208 1.029 9.110 1.00 0.00 C ATOM 1442 CE LYS A 93 131.424 2.533 9.135 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.562 2.954 8.273 1.00 0.00 N ATOM 0 H LYS A 93 126.768 1.447 7.336 1.00 0.00 H new ATOM 0 HA LYS A 93 127.603 -0.659 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.988 1.087 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.552 2.211 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.769 1.032 10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.794 -0.449 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 93 132.003 0.539 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 93 131.276 0.670 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 93 130.515 3.034 8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 93 131.609 2.854 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 132.671 3.987 8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 133.436 2.498 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.375 2.672 7.290 1.00 0.00 H new ATOM 1457 N THR A 94 125.792 1.738 10.285 1.00 0.00 N ATOM 1458 CA THR A 94 124.988 2.140 11.423 1.00 0.00 C ATOM 1459 C THR A 94 123.532 2.325 10.988 1.00 0.00 C ATOM 1460 O THR A 94 123.196 3.324 10.352 1.00 0.00 O ATOM 1461 CB THR A 94 125.523 3.448 12.039 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.930 3.319 12.298 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.797 3.779 13.334 1.00 0.00 C ATOM 0 H THR A 94 125.573 2.239 9.424 1.00 0.00 H new ATOM 0 HA THR A 94 125.044 1.357 12.180 1.00 0.00 H new ATOM 0 HB THR A 94 125.349 4.257 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 94 127.269 4.152 12.688 1.00 0.00 H new ATOM 0 HG21 THR A 94 125.194 4.706 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.732 3.898 13.134 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.944 2.971 14.050 1.00 0.00 H new ATOM 1471 N PRO A 95 122.662 1.346 11.289 1.00 0.00 N ATOM 1472 CA PRO A 95 121.239 1.397 10.913 1.00 0.00 C ATOM 1473 C PRO A 95 120.548 2.672 11.394 1.00 0.00 C ATOM 1474 O PRO A 95 120.649 3.044 12.565 1.00 0.00 O ATOM 1475 CB PRO A 95 120.645 0.172 11.612 1.00 0.00 C ATOM 1476 CG PRO A 95 121.791 -0.764 11.773 1.00 0.00 C ATOM 1477 CD PRO A 95 122.994 0.104 12.009 1.00 0.00 C ATOM 0 HA PRO A 95 121.106 1.398 9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 95 120.212 0.438 12.576 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.849 -0.276 11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.628 -1.443 12.610 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.921 -1.380 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 95 123.157 0.286 13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.904 -0.355 11.621 1.00 0.00 H new ATOM 1485 N VAL A 96 119.835 3.326 10.486 1.00 0.00 N ATOM 1486 CA VAL A 96 119.208 4.610 10.775 1.00 0.00 C ATOM 1487 C VAL A 96 117.764 4.416 11.216 1.00 0.00 C ATOM 1488 O VAL A 96 116.916 4.001 10.426 1.00 0.00 O ATOM 1489 CB VAL A 96 119.238 5.546 9.547 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.670 6.913 9.895 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.652 5.677 9.005 1.00 0.00 C ATOM 0 H VAL A 96 119.676 2.986 9.538 1.00 0.00 H new ATOM 0 HA VAL A 96 119.780 5.070 11.581 1.00 0.00 H new ATOM 0 HB VAL A 96 118.613 5.105 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.702 7.555 9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.638 6.804 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.263 7.361 10.692 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.650 6.341 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.301 6.089 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.020 4.695 8.708 1.00 0.00 H new ATOM 1501 N THR A 97 117.494 4.708 12.479 1.00 0.00 N ATOM 1502 CA THR A 97 116.153 4.576 13.025 1.00 0.00 C ATOM 1503 C THR A 97 115.270 5.740 12.589 1.00 0.00 C ATOM 1504 O THR A 97 115.771 6.795 12.196 1.00 0.00 O ATOM 1505 CB THR A 97 116.190 4.522 14.564 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.902 5.658 15.072 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.855 3.242 15.050 1.00 0.00 C ATOM 0 H THR A 97 118.190 5.039 13.147 1.00 0.00 H new ATOM 0 HA THR A 97 115.736 3.645 12.641 1.00 0.00 H new ATOM 0 HB THR A 97 115.164 4.537 14.931 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.922 5.621 16.051 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.868 3.230 16.140 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.297 2.380 14.684 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.877 3.198 14.675 1.00 0.00 H new ATOM 1515 N LEU A 98 113.960 5.546 12.656 1.00 0.00 N ATOM 1516 CA LEU A 98 113.007 6.604 12.342 1.00 0.00 C ATOM 1517 C LEU A 98 113.186 7.772 13.304 1.00 0.00 C ATOM 1518 O LEU A 98 112.934 8.924 12.956 1.00 0.00 O ATOM 1519 CB LEU A 98 111.571 6.070 12.411 1.00 0.00 C ATOM 1520 CG LEU A 98 110.481 7.069 12.016 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.668 7.526 10.576 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.104 6.456 12.204 1.00 0.00 C ATOM 0 H LEU A 98 113.530 4.661 12.926 1.00 0.00 H new ATOM 0 HA LEU A 98 113.195 6.954 11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.494 5.198 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.376 5.729 13.428 1.00 0.00 H new ATOM 0 HG LEU A 98 110.563 7.940 12.666 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.883 8.236 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.641 8.006 10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.614 6.664 9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.341 7.180 11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 98 109.013 5.568 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.968 6.180 13.250 1.00 0.00 H new ATOM 1534 N ALA A 99 113.645 7.467 14.513 1.00 0.00 N ATOM 1535 CA ALA A 99 113.945 8.495 15.498 1.00 0.00 C ATOM 1536 C ALA A 99 115.075 9.388 14.998 1.00 0.00 C ATOM 1537 O ALA A 99 115.076 10.599 15.227 1.00 0.00 O ATOM 1538 CB ALA A 99 114.315 7.861 16.830 1.00 0.00 C ATOM 0 H ALA A 99 113.817 6.514 14.833 1.00 0.00 H new ATOM 0 HA ALA A 99 113.056 9.109 15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.537 8.643 17.556 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.482 7.257 17.190 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.192 7.227 16.700 1.00 0.00 H new ATOM 1544 N ALA A 100 116.028 8.781 14.300 1.00 0.00 N ATOM 1545 CA ALA A 100 117.131 9.517 13.701 1.00 0.00 C ATOM 1546 C ALA A 100 116.661 10.264 12.459 1.00 0.00 C ATOM 1547 O ALA A 100 117.103 11.375 12.188 1.00 0.00 O ATOM 1548 CB ALA A 100 118.277 8.575 13.363 1.00 0.00 C ATOM 0 H ALA A 100 116.057 7.775 14.135 1.00 0.00 H new ATOM 0 HA ALA A 100 117.493 10.249 14.423 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.094 9.142 12.916 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.628 8.088 14.273 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.931 7.819 12.658 1.00 0.00 H new ATOM 1554 N VAL A 101 115.753 9.655 11.711 1.00 0.00 N ATOM 1555 CA VAL A 101 115.162 10.306 10.542 1.00 0.00 C ATOM 1556 C VAL A 101 114.411 11.571 10.967 1.00 0.00 C ATOM 1557 O VAL A 101 114.347 12.557 10.232 1.00 0.00 O ATOM 1558 CB VAL A 101 114.201 9.354 9.793 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.600 10.031 8.572 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.918 8.076 9.385 1.00 0.00 C ATOM 0 H VAL A 101 115.407 8.712 11.889 1.00 0.00 H new ATOM 0 HA VAL A 101 115.972 10.575 9.864 1.00 0.00 H new ATOM 0 HB VAL A 101 113.391 9.097 10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 101 112.929 9.338 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.042 10.914 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.398 10.327 7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.223 7.421 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.753 8.321 8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.293 7.569 10.274 1.00 0.00 H new ATOM 1570 N LYS A 102 113.871 11.538 12.173 1.00 0.00 N ATOM 1571 CA LYS A 102 113.146 12.669 12.736 1.00 0.00 C ATOM 1572 C LYS A 102 114.083 13.612 13.497 1.00 0.00 C ATOM 1573 O LYS A 102 113.629 14.550 14.156 1.00 0.00 O ATOM 1574 CB LYS A 102 112.043 12.168 13.663 1.00 0.00 C ATOM 1575 CG LYS A 102 110.914 11.450 12.939 1.00 0.00 C ATOM 1576 CD LYS A 102 109.977 10.752 13.915 1.00 0.00 C ATOM 1577 CE LYS A 102 109.420 11.708 14.960 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.642 12.821 14.354 1.00 0.00 N ATOM 0 H LYS A 102 113.921 10.728 12.791 1.00 0.00 H new ATOM 0 HA LYS A 102 112.703 13.230 11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.478 11.492 14.399 1.00 0.00 H new ATOM 0 HB3 LYS A 102 111.630 13.014 14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.350 12.167 12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.332 10.718 12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.153 10.299 13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.511 9.943 14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 102 108.782 11.156 15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 102 110.242 12.120 15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 108.214 13.396 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 109.275 13.416 13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 107.893 12.431 13.748 1.00 0.00 H new ATOM 1592 N ALA A 103 115.385 13.359 13.407 1.00 0.00 N ATOM 1593 CA ALA A 103 116.372 14.174 14.108 1.00 0.00 C ATOM 1594 C ALA A 103 116.567 15.515 13.413 1.00 0.00 C ATOM 1595 O ALA A 103 116.667 16.556 14.067 1.00 0.00 O ATOM 1596 CB ALA A 103 117.703 13.441 14.218 1.00 0.00 C ATOM 0 H ALA A 103 115.781 12.597 12.856 1.00 0.00 H new ATOM 0 HA ALA A 103 115.994 14.359 15.113 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.422 14.069 14.744 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.562 12.511 14.769 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.079 13.218 13.220 1.00 0.00 H new ATOM 1602 N GLU A 104 116.601 15.493 12.090 1.00 0.00 N ATOM 1603 CA GLU A 104 116.835 16.703 11.321 1.00 0.00 C ATOM 1604 C GLU A 104 115.748 16.914 10.273 1.00 0.00 C ATOM 1605 O GLU A 104 115.296 15.968 9.624 1.00 0.00 O ATOM 1606 CB GLU A 104 118.215 16.661 10.664 1.00 0.00 C ATOM 1607 CG GLU A 104 118.510 15.377 9.910 1.00 0.00 C ATOM 1608 CD GLU A 104 119.874 15.407 9.259 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.879 15.137 9.955 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.952 15.735 8.061 1.00 0.00 O ATOM 0 H GLU A 104 116.470 14.652 11.528 1.00 0.00 H new ATOM 0 HA GLU A 104 116.802 17.548 12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 104 118.302 17.501 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 104 118.975 16.800 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 104 118.454 14.532 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 104 117.747 15.220 9.148 1.00 0.00 H new ATOM 1617 N PRO A 105 115.328 18.176 10.084 1.00 0.00 N ATOM 1618 CA PRO A 105 114.235 18.527 9.166 1.00 0.00 C ATOM 1619 C PRO A 105 114.620 18.394 7.694 1.00 0.00 C ATOM 1620 O PRO A 105 113.800 18.630 6.806 1.00 0.00 O ATOM 1621 CB PRO A 105 113.948 19.987 9.512 1.00 0.00 C ATOM 1622 CG PRO A 105 115.238 20.514 10.038 1.00 0.00 C ATOM 1623 CD PRO A 105 115.886 19.366 10.759 1.00 0.00 C ATOM 0 HA PRO A 105 113.381 17.861 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 105 113.621 20.545 8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 105 113.155 20.069 10.255 1.00 0.00 H new ATOM 0 HG2 PRO A 105 115.872 20.875 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 105 115.071 21.355 10.711 1.00 0.00 H new ATOM 0 HD2 PRO A 105 116.972 19.402 10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 105 115.647 19.373 11.822 1.00 0.00 H new ATOM 1631 N ARG A 106 115.865 18.012 7.436 1.00 0.00 N ATOM 1632 CA ARG A 106 116.335 17.827 6.070 1.00 0.00 C ATOM 1633 C ARG A 106 115.814 16.514 5.503 1.00 0.00 C ATOM 1634 O ARG A 106 115.695 16.350 4.291 1.00 0.00 O ATOM 1635 CB ARG A 106 117.863 17.861 6.011 1.00 0.00 C ATOM 1636 CG ARG A 106 118.454 19.191 6.442 1.00 0.00 C ATOM 1637 CD ARG A 106 119.967 19.208 6.291 1.00 0.00 C ATOM 1638 NE ARG A 106 120.609 18.146 7.063 1.00 0.00 N ATOM 1639 CZ ARG A 106 121.807 18.249 7.624 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.495 19.382 7.538 1.00 0.00 N ATOM 1641 NH2 ARG A 106 122.307 17.215 8.286 1.00 0.00 N ATOM 0 H ARG A 106 116.565 17.825 8.154 1.00 0.00 H new ATOM 0 HA ARG A 106 115.951 18.648 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.261 17.071 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 106 118.185 17.642 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.019 19.993 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.189 19.387 7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.227 19.098 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.352 20.175 6.615 1.00 0.00 H new ATOM 0 HE ARG A 106 120.103 17.268 7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 106 122.103 20.180 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.415 19.454 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.772 16.350 8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 106 123.227 17.284 8.721 1.00 0.00 H new ATOM 1655 N LEU A 107 115.483 15.585 6.392 1.00 0.00 N ATOM 1656 CA LEU A 107 114.953 14.293 5.983 1.00 0.00 C ATOM 1657 C LEU A 107 113.436 14.352 5.839 1.00 0.00 C ATOM 1658 O LEU A 107 112.798 13.367 5.470 1.00 0.00 O ATOM 1659 CB LEU A 107 115.347 13.218 6.995 1.00 0.00 C ATOM 1660 CG LEU A 107 116.846 12.934 7.078 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.142 11.941 8.187 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.362 12.406 5.749 1.00 0.00 C ATOM 0 H LEU A 107 115.573 15.704 7.401 1.00 0.00 H new ATOM 0 HA LEU A 107 115.379 14.038 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 107 114.994 13.520 7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.830 12.293 6.741 1.00 0.00 H new ATOM 0 HG LEU A 107 117.358 13.869 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.215 11.752 8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 107 116.807 12.350 9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.617 11.007 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.431 12.209 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.840 11.483 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 107 117.185 13.147 4.970 1.00 0.00 H new ATOM 1674 N ALA A 108 112.864 15.520 6.114 1.00 0.00 N ATOM 1675 CA ALA A 108 111.420 15.704 6.035 1.00 0.00 C ATOM 1676 C ALA A 108 110.954 15.768 4.585 1.00 0.00 C ATOM 1677 O ALA A 108 109.769 15.592 4.290 1.00 0.00 O ATOM 1678 CB ALA A 108 111.002 16.962 6.785 1.00 0.00 C ATOM 0 H ALA A 108 113.380 16.354 6.394 1.00 0.00 H new ATOM 0 HA ALA A 108 110.944 14.843 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 108 109.921 17.084 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 108 111.291 16.874 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.494 17.829 6.344 1.00 0.00 H new ATOM 1684 N ASP A 109 111.890 16.013 3.677 1.00 0.00 N ATOM 1685 CA ASP A 109 111.571 16.060 2.256 1.00 0.00 C ATOM 1686 C ASP A 109 111.482 14.659 1.682 1.00 0.00 C ATOM 1687 O ASP A 109 110.919 14.452 0.606 1.00 0.00 O ATOM 1688 CB ASP A 109 112.604 16.877 1.478 1.00 0.00 C ATOM 1689 CG ASP A 109 112.431 18.366 1.674 1.00 0.00 C ATOM 1690 OD1 ASP A 109 111.330 18.886 1.395 1.00 0.00 O ATOM 1691 OD2 ASP A 109 113.403 19.034 2.092 1.00 0.00 O ATOM 0 H ASP A 109 112.872 16.181 3.898 1.00 0.00 H new ATOM 0 HA ASP A 109 110.602 16.549 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 109 113.606 16.586 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.524 16.642 0.417 1.00 0.00 H new ATOM 1696 N MET A 110 112.030 13.697 2.408 1.00 0.00 N ATOM 1697 CA MET A 110 111.940 12.306 2.007 1.00 0.00 C ATOM 1698 C MET A 110 110.507 11.824 2.197 1.00 0.00 C ATOM 1699 O MET A 110 109.896 12.077 3.239 1.00 0.00 O ATOM 1700 CB MET A 110 112.920 11.449 2.815 1.00 0.00 C ATOM 1701 CG MET A 110 112.965 9.991 2.382 1.00 0.00 C ATOM 1702 SD MET A 110 114.224 9.041 3.261 1.00 0.00 S ATOM 1703 CE MET A 110 113.745 9.324 4.963 1.00 0.00 C ATOM 0 H MET A 110 112.541 13.856 3.277 1.00 0.00 H new ATOM 0 HA MET A 110 112.210 12.212 0.955 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.919 11.875 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.646 11.497 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.989 9.536 2.551 1.00 0.00 H new ATOM 0 HG3 MET A 110 113.160 9.940 1.311 1.00 0.00 H new ATOM 0 HE1 MET A 110 113.758 8.379 5.506 1.00 0.00 H new ATOM 0 HE2 MET A 110 114.445 10.019 5.427 1.00 0.00 H new ATOM 0 HE3 MET A 110 112.741 9.746 4.993 1.00 0.00 H new ATOM 1713 N ALA A 111 109.974 11.146 1.183 1.00 0.00 N ATOM 1714 CA ALA A 111 108.573 10.711 1.177 1.00 0.00 C ATOM 1715 C ALA A 111 108.198 9.927 2.434 1.00 0.00 C ATOM 1716 O ALA A 111 107.035 9.909 2.827 1.00 0.00 O ATOM 1717 CB ALA A 111 108.280 9.882 -0.067 1.00 0.00 C ATOM 0 H ALA A 111 110.494 10.882 0.346 1.00 0.00 H new ATOM 0 HA ALA A 111 107.960 11.612 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.237 9.567 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.469 10.482 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.924 9.003 -0.079 1.00 0.00 H new ATOM 1723 N LEU A 112 109.181 9.294 3.063 1.00 0.00 N ATOM 1724 CA LEU A 112 108.949 8.512 4.277 1.00 0.00 C ATOM 1725 C LEU A 112 108.387 9.388 5.399 1.00 0.00 C ATOM 1726 O LEU A 112 107.544 8.947 6.181 1.00 0.00 O ATOM 1727 CB LEU A 112 110.254 7.848 4.731 1.00 0.00 C ATOM 1728 CG LEU A 112 110.148 6.979 5.988 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.215 5.800 5.754 1.00 0.00 C ATOM 1730 CD2 LEU A 112 111.525 6.492 6.412 1.00 0.00 C ATOM 0 H LEU A 112 110.152 9.306 2.752 1.00 0.00 H new ATOM 0 HA LEU A 112 108.213 7.741 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.631 7.232 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.995 8.627 4.910 1.00 0.00 H new ATOM 0 HG LEU A 112 109.731 7.588 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.156 5.197 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.222 6.168 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 112 109.598 5.189 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 112 111.434 5.876 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 112 111.966 5.902 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.164 7.349 6.625 1.00 0.00 H new ATOM 1742 N MET A 113 108.840 10.636 5.452 1.00 0.00 N ATOM 1743 CA MET A 113 108.437 11.561 6.510 1.00 0.00 C ATOM 1744 C MET A 113 107.139 12.279 6.159 1.00 0.00 C ATOM 1745 O MET A 113 106.548 12.956 7.000 1.00 0.00 O ATOM 1746 CB MET A 113 109.542 12.585 6.774 1.00 0.00 C ATOM 1747 CG MET A 113 110.722 12.017 7.544 1.00 0.00 C ATOM 1748 SD MET A 113 110.276 11.517 9.218 1.00 0.00 S ATOM 1749 CE MET A 113 109.753 13.086 9.905 1.00 0.00 C ATOM 0 H MET A 113 109.489 11.033 4.773 1.00 0.00 H new ATOM 0 HA MET A 113 108.268 10.974 7.413 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.896 12.980 5.822 1.00 0.00 H new ATOM 0 HB3 MET A 113 109.124 13.423 7.331 1.00 0.00 H new ATOM 0 HG2 MET A 113 111.123 11.158 7.006 1.00 0.00 H new ATOM 0 HG3 MET A 113 111.515 12.763 7.590 1.00 0.00 H new ATOM 0 HE1 MET A 113 110.401 13.352 10.740 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.815 13.858 9.138 1.00 0.00 H new ATOM 0 HE3 MET A 113 108.724 13.005 10.256 1.00 0.00 H new ATOM 1759 N LYS A 114 106.701 12.138 4.916 1.00 0.00 N ATOM 1760 CA LYS A 114 105.455 12.752 4.477 1.00 0.00 C ATOM 1761 C LYS A 114 104.345 11.713 4.400 1.00 0.00 C ATOM 1762 O LYS A 114 103.275 11.882 4.985 1.00 0.00 O ATOM 1763 CB LYS A 114 105.625 13.431 3.116 1.00 0.00 C ATOM 1764 CG LYS A 114 106.452 14.705 3.160 1.00 0.00 C ATOM 1765 CD LYS A 114 106.365 15.461 1.844 1.00 0.00 C ATOM 1766 CE LYS A 114 106.877 16.885 1.984 1.00 0.00 C ATOM 1767 NZ LYS A 114 108.330 16.936 2.284 1.00 0.00 N ATOM 0 H LYS A 114 107.188 11.605 4.195 1.00 0.00 H new ATOM 0 HA LYS A 114 105.182 13.511 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 114 106.095 12.729 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.640 13.663 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 114 106.101 15.342 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.492 14.460 3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.945 14.938 1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.331 15.477 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 114 106.680 17.432 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 114 106.327 17.390 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.615 17.922 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 108.530 16.367 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 108.865 16.555 1.477 1.00 0.00 H new ATOM 1781 N TYR A 115 104.613 10.631 3.687 1.00 0.00 N ATOM 1782 CA TYR A 115 103.640 9.571 3.512 1.00 0.00 C ATOM 1783 C TYR A 115 104.168 8.275 4.104 1.00 0.00 C ATOM 1784 O TYR A 115 104.870 7.513 3.435 1.00 0.00 O ATOM 1785 CB TYR A 115 103.311 9.374 2.030 1.00 0.00 C ATOM 1786 CG TYR A 115 102.828 10.629 1.338 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.529 11.087 1.512 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.674 11.354 0.504 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.084 12.231 0.877 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.237 12.499 -0.133 1.00 0.00 C ATOM 1791 CZ TYR A 115 101.942 12.934 0.057 1.00 0.00 C ATOM 1792 OH TYR A 115 101.501 14.075 -0.580 1.00 0.00 O ATOM 0 H TYR A 115 105.504 10.466 3.218 1.00 0.00 H new ATOM 0 HA TYR A 115 102.726 9.856 4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.199 9.006 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.547 8.602 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.855 10.540 2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.688 11.016 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.070 12.573 1.022 1.00 0.00 H new ATOM 0 HE2 TYR A 115 103.906 13.051 -0.777 1.00 0.00 H new ATOM 0 HH TYR A 115 102.228 14.451 -1.119 1.00 0.00 H new ATOM 1802 N SER A 116 103.851 8.041 5.368 1.00 0.00 N ATOM 1803 CA SER A 116 104.252 6.817 6.042 1.00 0.00 C ATOM 1804 C SER A 116 103.357 5.664 5.596 1.00 0.00 C ATOM 1805 O SER A 116 103.723 4.494 5.704 1.00 0.00 O ATOM 1806 CB SER A 116 104.166 7.007 7.557 1.00 0.00 C ATOM 1807 OG SER A 116 104.860 8.179 7.960 1.00 0.00 O ATOM 0 H SER A 116 103.315 8.686 5.949 1.00 0.00 H new ATOM 0 HA SER A 116 105.283 6.580 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 116 103.121 7.075 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 116 104.588 6.138 8.061 1.00 0.00 H new ATOM 0 HG SER A 116 105.643 8.309 7.386 1.00 0.00 H new ATOM 1813 N ARG A 117 102.186 6.020 5.073 1.00 0.00 N ATOM 1814 CA ARG A 117 101.224 5.039 4.583 1.00 0.00 C ATOM 1815 C ARG A 117 101.686 4.480 3.239 1.00 0.00 C ATOM 1816 O ARG A 117 101.317 3.373 2.845 1.00 0.00 O ATOM 1817 CB ARG A 117 99.846 5.689 4.424 1.00 0.00 C ATOM 1818 CG ARG A 117 99.447 6.566 5.600 1.00 0.00 C ATOM 1819 CD ARG A 117 98.063 7.164 5.407 1.00 0.00 C ATOM 1820 NE ARG A 117 97.765 8.196 6.404 1.00 0.00 N ATOM 1821 CZ ARG A 117 96.865 8.057 7.379 1.00 0.00 C ATOM 1822 NH1 ARG A 117 96.251 6.893 7.558 1.00 0.00 N ATOM 1823 NH2 ARG A 117 96.595 9.075 8.188 1.00 0.00 N ATOM 0 H ARG A 117 101.880 6.988 4.978 1.00 0.00 H new ATOM 0 HA ARG A 117 101.154 4.225 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.840 6.290 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.098 4.907 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.465 5.977 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 117 100.176 7.367 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.990 7.594 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 117 97.315 6.374 5.469 1.00 0.00 H new ATOM 0 HE ARG A 117 98.278 9.076 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 117 96.467 6.103 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 117 95.563 6.789 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 117 97.076 9.966 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 117 95.906 8.966 8.933 1.00 0.00 H new ATOM 1837 N LEU A 118 102.503 5.263 2.547 1.00 0.00 N ATOM 1838 CA LEU A 118 103.026 4.887 1.244 1.00 0.00 C ATOM 1839 C LEU A 118 104.188 3.915 1.412 1.00 0.00 C ATOM 1840 O LEU A 118 105.288 4.314 1.786 1.00 0.00 O ATOM 1841 CB LEU A 118 103.479 6.146 0.494 1.00 0.00 C ATOM 1842 CG LEU A 118 104.019 5.928 -0.920 1.00 0.00 C ATOM 1843 CD1 LEU A 118 102.951 5.333 -1.818 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.518 7.243 -1.499 1.00 0.00 C ATOM 0 H LEU A 118 102.820 6.175 2.874 1.00 0.00 H new ATOM 0 HA LEU A 118 102.246 4.393 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.635 6.834 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.252 6.638 1.085 1.00 0.00 H new ATOM 0 HG LEU A 118 104.851 5.226 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.357 5.187 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.628 4.374 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.099 6.011 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 118 104.900 7.075 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.697 7.959 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.315 7.638 -0.870 1.00 0.00 H new ATOM 1856 N SER A 119 103.927 2.635 1.166 1.00 0.00 N ATOM 1857 CA SER A 119 104.940 1.600 1.335 1.00 0.00 C ATOM 1858 C SER A 119 106.113 1.823 0.378 1.00 0.00 C ATOM 1859 O SER A 119 107.249 2.016 0.815 1.00 0.00 O ATOM 1860 CB SER A 119 104.329 0.210 1.119 1.00 0.00 C ATOM 1861 OG SER A 119 105.274 -0.814 1.381 1.00 0.00 O ATOM 0 H SER A 119 103.021 2.290 0.849 1.00 0.00 H new ATOM 0 HA SER A 119 105.318 1.659 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 119 103.464 0.085 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 119 103.970 0.123 0.093 1.00 0.00 H new ATOM 0 HG SER A 119 104.857 -1.689 1.237 1.00 0.00 H new ATOM 1867 N VAL A 120 105.827 1.820 -0.918 1.00 0.00 N ATOM 1868 CA VAL A 120 106.858 2.002 -1.929 1.00 0.00 C ATOM 1869 C VAL A 120 106.905 3.459 -2.372 1.00 0.00 C ATOM 1870 O VAL A 120 105.965 3.959 -2.991 1.00 0.00 O ATOM 1871 CB VAL A 120 106.613 1.099 -3.159 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.695 1.310 -4.209 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.549 -0.364 -2.743 1.00 0.00 C ATOM 0 H VAL A 120 104.887 1.693 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 120 107.811 1.720 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 120 105.655 1.375 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.502 0.664 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 120 107.691 2.351 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.668 1.066 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.376 -0.985 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.491 -0.651 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.734 -0.505 -2.033 1.00 0.00 H new ATOM 1883 N GLN A 121 107.997 4.134 -2.050 1.00 0.00 N ATOM 1884 CA GLN A 121 108.129 5.553 -2.343 1.00 0.00 C ATOM 1885 C GLN A 121 109.530 5.867 -2.863 1.00 0.00 C ATOM 1886 O GLN A 121 110.462 5.108 -2.620 1.00 0.00 O ATOM 1887 CB GLN A 121 107.809 6.362 -1.083 1.00 0.00 C ATOM 1888 CG GLN A 121 108.740 6.095 0.091 1.00 0.00 C ATOM 1889 CD GLN A 121 108.068 6.346 1.429 1.00 0.00 C ATOM 1890 OE1 GLN A 121 108.448 5.768 2.447 1.00 0.00 O ATOM 1891 NE2 GLN A 121 107.040 7.179 1.433 1.00 0.00 N ATOM 0 H GLN A 121 108.806 3.722 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 121 107.422 5.829 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 121 107.849 7.423 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 121 106.786 6.144 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 121 109.087 5.062 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 121 109.621 6.731 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 121 106.754 7.640 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 121 106.534 7.360 2.300 1.00 0.00 H new ATOM 1900 N PRO A 122 109.689 6.970 -3.613 1.00 0.00 N ATOM 1901 CA PRO A 122 110.973 7.366 -4.185 1.00 0.00 C ATOM 1902 C PRO A 122 111.818 8.212 -3.232 1.00 0.00 C ATOM 1903 O PRO A 122 111.306 8.784 -2.267 1.00 0.00 O ATOM 1904 CB PRO A 122 110.578 8.201 -5.414 1.00 0.00 C ATOM 1905 CG PRO A 122 109.090 8.391 -5.342 1.00 0.00 C ATOM 1906 CD PRO A 122 108.638 7.914 -3.989 1.00 0.00 C ATOM 0 HA PRO A 122 111.588 6.496 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 122 111.092 9.162 -5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.860 7.692 -6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.830 9.440 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.593 7.829 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.557 8.735 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.660 7.434 -4.035 1.00 0.00 H new ATOM 1914 N VAL A 123 113.112 8.277 -3.521 1.00 0.00 N ATOM 1915 CA VAL A 123 114.057 9.087 -2.759 1.00 0.00 C ATOM 1916 C VAL A 123 114.962 9.843 -3.734 1.00 0.00 C ATOM 1917 O VAL A 123 115.302 9.315 -4.793 1.00 0.00 O ATOM 1918 CB VAL A 123 114.933 8.207 -1.828 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.892 9.053 -1.010 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.070 7.358 -0.908 1.00 0.00 C ATOM 0 H VAL A 123 113.538 7.767 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 123 113.493 9.784 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 123 115.519 7.544 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.491 8.407 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.549 9.609 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.326 9.752 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.709 6.751 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.448 8.007 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.433 6.706 -1.506 1.00 0.00 H new ATOM 1930 N THR A 124 115.332 11.074 -3.402 1.00 0.00 N ATOM 1931 CA THR A 124 116.217 11.846 -4.266 1.00 0.00 C ATOM 1932 C THR A 124 117.674 11.556 -3.924 1.00 0.00 C ATOM 1933 O THR A 124 117.959 10.920 -2.911 1.00 0.00 O ATOM 1934 CB THR A 124 115.956 13.363 -4.154 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.234 13.814 -2.824 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.515 13.696 -4.516 1.00 0.00 C ATOM 0 H THR A 124 115.038 11.555 -2.552 1.00 0.00 H new ATOM 0 HA THR A 124 116.010 11.542 -5.292 1.00 0.00 H new ATOM 0 HB THR A 124 116.617 13.872 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.445 14.268 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.357 14.771 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.315 13.382 -5.540 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.840 13.174 -3.838 1.00 0.00 H new ATOM 1944 N ALA A 125 118.593 12.020 -4.763 1.00 0.00 N ATOM 1945 CA ALA A 125 120.016 11.789 -4.543 1.00 0.00 C ATOM 1946 C ALA A 125 120.494 12.452 -3.263 1.00 0.00 C ATOM 1947 O ALA A 125 121.220 11.843 -2.487 1.00 0.00 O ATOM 1948 CB ALA A 125 120.827 12.281 -5.729 1.00 0.00 C ATOM 0 H ALA A 125 118.378 12.559 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 125 120.165 10.714 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.886 12.100 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.518 11.747 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.660 13.349 -5.866 1.00 0.00 H new ATOM 1954 N GLU A 126 120.076 13.687 -3.033 1.00 0.00 N ATOM 1955 CA GLU A 126 120.522 14.420 -1.857 1.00 0.00 C ATOM 1956 C GLU A 126 120.037 13.730 -0.580 1.00 0.00 C ATOM 1957 O GLU A 126 120.783 13.608 0.393 1.00 0.00 O ATOM 1958 CB GLU A 126 120.039 15.869 -1.914 1.00 0.00 C ATOM 1959 CG GLU A 126 120.886 16.819 -1.080 1.00 0.00 C ATOM 1960 CD GLU A 126 122.363 16.728 -1.426 1.00 0.00 C ATOM 1961 OE1 GLU A 126 122.707 16.807 -2.628 1.00 0.00 O ATOM 1962 OE2 GLU A 126 123.185 16.546 -0.504 1.00 0.00 O ATOM 0 H GLU A 126 119.435 14.200 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 126 121.612 14.427 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.042 16.205 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.007 15.914 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.541 17.841 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.748 16.593 -0.023 1.00 0.00 H new ATOM 1969 N GLU A 127 118.795 13.254 -0.610 1.00 0.00 N ATOM 1970 CA GLU A 127 118.230 12.489 0.498 1.00 0.00 C ATOM 1971 C GLU A 127 118.969 11.164 0.664 1.00 0.00 C ATOM 1972 O GLU A 127 119.436 10.833 1.754 1.00 0.00 O ATOM 1973 CB GLU A 127 116.748 12.218 0.243 1.00 0.00 C ATOM 1974 CG GLU A 127 115.873 13.458 0.292 1.00 0.00 C ATOM 1975 CD GLU A 127 114.563 13.264 -0.443 1.00 0.00 C ATOM 1976 OE1 GLU A 127 113.959 12.181 -0.323 1.00 0.00 O ATOM 1977 OE2 GLU A 127 114.157 14.185 -1.180 1.00 0.00 O ATOM 0 H GLU A 127 118.157 13.386 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 127 118.340 13.073 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.639 11.748 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.388 11.503 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.670 13.716 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.412 14.298 -0.146 1.00 0.00 H new ATOM 1984 N TRP A 128 119.069 10.422 -0.434 1.00 0.00 N ATOM 1985 CA TRP A 128 119.754 9.134 -0.460 1.00 0.00 C ATOM 1986 C TRP A 128 121.153 9.243 0.135 1.00 0.00 C ATOM 1987 O TRP A 128 121.508 8.505 1.057 1.00 0.00 O ATOM 1988 CB TRP A 128 119.842 8.631 -1.905 1.00 0.00 C ATOM 1989 CG TRP A 128 120.501 7.296 -2.041 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.831 7.050 -2.213 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.856 6.021 -2.021 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.053 5.700 -2.291 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.856 5.048 -2.178 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.529 5.608 -1.884 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.572 3.688 -2.201 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.248 4.258 -1.905 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.266 3.312 -2.063 1.00 0.00 C ATOM 0 H TRP A 128 118.676 10.698 -1.334 1.00 0.00 H new ATOM 0 HA TRP A 128 119.183 8.428 0.143 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.836 8.573 -2.321 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.392 9.360 -2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.597 7.808 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.962 5.254 -2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.737 6.333 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.355 2.955 -2.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.226 3.926 -1.798 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.014 2.262 -2.076 1.00 0.00 H new ATOM 2008 N LYS A 129 121.935 10.173 -0.397 1.00 0.00 N ATOM 2009 CA LYS A 129 123.304 10.388 0.052 1.00 0.00 C ATOM 2010 C LYS A 129 123.345 10.712 1.539 1.00 0.00 C ATOM 2011 O LYS A 129 124.205 10.213 2.268 1.00 0.00 O ATOM 2012 CB LYS A 129 123.947 11.534 -0.727 1.00 0.00 C ATOM 2013 CG LYS A 129 124.122 11.275 -2.216 1.00 0.00 C ATOM 2014 CD LYS A 129 124.811 12.455 -2.884 1.00 0.00 C ATOM 2015 CE LYS A 129 123.976 13.720 -2.757 1.00 0.00 C ATOM 2016 NZ LYS A 129 124.766 14.949 -3.021 1.00 0.00 N ATOM 0 H LYS A 129 121.640 10.797 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 129 123.859 9.467 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.338 12.429 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.924 11.747 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.710 10.370 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.150 11.105 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.789 12.614 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 129 124.981 12.232 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 129 123.140 13.672 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 129 123.552 13.773 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 124.149 15.782 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 125.539 15.020 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.164 14.906 -3.981 1.00 0.00 H new ATOM 2030 N LEU A 130 122.409 11.542 1.984 1.00 0.00 N ATOM 2031 CA LEU A 130 122.358 11.971 3.373 1.00 0.00 C ATOM 2032 C LEU A 130 122.104 10.784 4.293 1.00 0.00 C ATOM 2033 O LEU A 130 122.844 10.573 5.247 1.00 0.00 O ATOM 2034 CB LEU A 130 121.279 13.042 3.562 1.00 0.00 C ATOM 2035 CG LEU A 130 121.164 13.625 4.973 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.483 14.247 5.410 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.049 14.658 5.025 1.00 0.00 C ATOM 0 H LEU A 130 121.672 11.932 1.397 1.00 0.00 H new ATOM 0 HA LEU A 130 123.323 12.404 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.477 13.858 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.315 12.614 3.286 1.00 0.00 H new ATOM 0 HG LEU A 130 120.925 12.814 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.378 14.655 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.263 13.486 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.754 15.047 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.977 15.065 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.266 15.463 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.104 14.187 4.756 1.00 0.00 H new ATOM 2049 N VAL A 131 121.081 9.993 3.985 1.00 0.00 N ATOM 2050 CA VAL A 131 120.747 8.830 4.802 1.00 0.00 C ATOM 2051 C VAL A 131 121.892 7.817 4.796 1.00 0.00 C ATOM 2052 O VAL A 131 122.172 7.181 5.811 1.00 0.00 O ATOM 2053 CB VAL A 131 119.447 8.144 4.327 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.118 6.938 5.200 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.291 9.131 4.336 1.00 0.00 C ATOM 0 H VAL A 131 120.471 10.134 3.180 1.00 0.00 H new ATOM 0 HA VAL A 131 120.588 9.192 5.818 1.00 0.00 H new ATOM 0 HB VAL A 131 119.602 7.795 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.199 6.472 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 131 119.934 6.217 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.986 7.261 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.383 8.631 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.143 9.509 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.517 9.962 3.668 1.00 0.00 H new ATOM 2065 N CYS A 132 122.563 7.684 3.657 1.00 0.00 N ATOM 2066 CA CYS A 132 123.709 6.790 3.553 1.00 0.00 C ATOM 2067 C CYS A 132 124.831 7.229 4.490 1.00 0.00 C ATOM 2068 O CYS A 132 125.292 6.451 5.324 1.00 0.00 O ATOM 2069 CB CYS A 132 124.224 6.733 2.113 1.00 0.00 C ATOM 2070 SG CYS A 132 123.068 5.987 0.943 1.00 0.00 S ATOM 0 H CYS A 132 122.334 8.182 2.797 1.00 0.00 H new ATOM 0 HA CYS A 132 123.380 5.794 3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.456 7.745 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.157 6.169 2.095 1.00 0.00 H new ATOM 0 HG CYS A 132 122.113 6.829 0.680 1.00 0.00 H new ATOM 2076 N LYS A 133 125.250 8.485 4.370 1.00 0.00 N ATOM 2077 CA LYS A 133 126.353 9.001 5.177 1.00 0.00 C ATOM 2078 C LYS A 133 125.947 9.062 6.652 1.00 0.00 C ATOM 2079 O LYS A 133 126.781 8.919 7.544 1.00 0.00 O ATOM 2080 CB LYS A 133 126.787 10.384 4.671 1.00 0.00 C ATOM 2081 CG LYS A 133 125.836 11.515 5.048 1.00 0.00 C ATOM 2082 CD LYS A 133 126.247 12.849 4.440 1.00 0.00 C ATOM 2083 CE LYS A 133 125.918 12.917 2.956 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.090 14.290 2.409 1.00 0.00 N ATOM 0 H LYS A 133 124.845 9.163 3.725 1.00 0.00 H new ATOM 0 HA LYS A 133 127.202 8.324 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.777 10.609 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 133 126.879 10.349 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 133 124.828 11.264 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 133 125.801 11.609 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 133 125.739 13.659 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 133 127.317 13.000 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.561 12.226 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 133 124.891 12.590 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 125.856 14.292 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 125.458 14.946 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.076 14.594 2.537 1.00 0.00 H new ATOM 2098 N MET A 134 124.652 9.251 6.886 1.00 0.00 N ATOM 2099 CA MET A 134 124.088 9.282 8.231 1.00 0.00 C ATOM 2100 C MET A 134 124.061 7.875 8.818 1.00 0.00 C ATOM 2101 O MET A 134 124.113 7.688 10.034 1.00 0.00 O ATOM 2102 CB MET A 134 122.672 9.858 8.171 1.00 0.00 C ATOM 2103 CG MET A 134 122.019 10.101 9.520 1.00 0.00 C ATOM 2104 SD MET A 134 120.312 10.642 9.341 1.00 0.00 S ATOM 2105 CE MET A 134 119.901 10.985 11.043 1.00 0.00 C ATOM 0 H MET A 134 123.963 9.387 6.147 1.00 0.00 H new ATOM 0 HA MET A 134 124.706 9.912 8.871 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.702 10.800 7.624 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.043 9.177 7.598 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.051 9.186 10.111 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.585 10.854 10.068 1.00 0.00 H new ATOM 0 HE1 MET A 134 119.090 10.329 11.361 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.775 10.811 11.670 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.586 12.024 11.139 1.00 0.00 H new ATOM 2115 N GLY A 135 123.997 6.888 7.932 1.00 0.00 N ATOM 2116 CA GLY A 135 123.997 5.500 8.343 1.00 0.00 C ATOM 2117 C GLY A 135 125.398 4.952 8.509 1.00 0.00 C ATOM 2118 O GLY A 135 125.626 3.746 8.385 1.00 0.00 O ATOM 0 H GLY A 135 123.944 7.030 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.457 5.402 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.461 4.904 7.604 1.00 0.00 H new ATOM 2122 N GLY A 136 126.342 5.847 8.767 1.00 0.00 N ATOM 2123 CA GLY A 136 127.709 5.448 9.016 1.00 0.00 C ATOM 2124 C GLY A 136 128.399 4.889 7.792 1.00 0.00 C ATOM 2125 O GLY A 136 129.376 4.160 7.911 1.00 0.00 O ATOM 0 H GLY A 136 126.180 6.853 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.271 6.308 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.724 4.699 9.807 1.00 0.00 H new ATOM 2129 N LEU A 137 127.915 5.240 6.611 1.00 0.00 N ATOM 2130 CA LEU A 137 128.507 4.740 5.375 1.00 0.00 C ATOM 2131 C LEU A 137 129.704 5.604 4.971 1.00 0.00 C ATOM 2132 O LEU A 137 130.067 5.685 3.797 1.00 0.00 O ATOM 2133 CB LEU A 137 127.457 4.713 4.262 1.00 0.00 C ATOM 2134 CG LEU A 137 127.790 3.826 3.061 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.957 2.379 3.492 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.704 3.947 2.008 1.00 0.00 C ATOM 0 H LEU A 137 127.119 5.865 6.480 1.00 0.00 H new ATOM 0 HA LEU A 137 128.861 3.722 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.511 4.378 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.304 5.732 3.907 1.00 0.00 H new ATOM 0 HG LEU A 137 128.734 4.162 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.193 1.765 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.767 2.307 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.031 2.025 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.950 3.312 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.750 3.633 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.631 4.983 1.678 1.00 0.00 H new