USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 936 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 85 GLN : amide:sc= -3.64 X(o=-4.1,f=-4.2!) USER MOD Set 1.2: A 148 THR OG1 : rot 63:sc= -0.494 USER MOD Set 2.1: A 83 HIS : no HD1:sc= -0.283 X(o=-0.5,f=-0.23) USER MOD Set 2.2: A 145 ASN : amide:sc= -0.212 X(o=-0.5,f=-0.93) USER MOD Set 3.1: A 52 GLN : amide:sc= -0.038 K(o=-0.038,f=-1.4) USER MOD Set 3.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 GLN : amide:sc= -0.0998 K(o=-2.2,f=-2.8) USER MOD Set 4.2: A 17 MET CE :methyl -112:sc= -0.297 (180deg=-3.63!) USER MOD Set 4.3: A 36 HIS : no HE2:sc= -1.84 K(o=-2.2,f=-4.5!) USER MOD Single : A 1 CYS N :NH3+ -143:sc= 0.0696 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.000447 X(o=-0.00045,f=-0.0091) USER MOD Single : A 10 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 25:sc= 0.651 USER MOD Single : A 15 SER OG : rot -50:sc= 1.11 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 160:sc= -0.811 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0798 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7.6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.4 K(o=-2.4,f=-0.82) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 54 ASN : amide:sc= -3.68 K(o=-3.7,f=-3) USER MOD Single : A 55 SER OG : rot 71:sc= 0.272 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.369 X(o=0.37,f=0) USER MOD Single : A 66 THR OG1 : rot -32:sc= 0.286 USER MOD Single : A 67 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -110:sc= -0.0716 USER MOD Single : A 75 THR OG1 : rot 42:sc= 0.845 USER MOD Single : A 76 GLN : amide:sc= -1.71 K(o=-1.7,f=-3) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -1.72 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 91 LYS NZ :NH3+ -101:sc= -0.124 (180deg=-1.58!) USER MOD Single : A 94 HIS : no HE2:sc= -1.66 X(o=-1.7,f=-1.9) USER MOD Single : A 95 SER OG : rot 75:sc= 1.14 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot -59:sc=6.54e-05 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -2.1! C(o=-2.1!,f=-1.8!) USER MOD Single : A 116 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.13) USER MOD Single : A 119 ASN : amide:sc= -3.25! C(o=-3.3!,f=-7.4!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 121 SER OG : rot 35:sc= -0.47 USER MOD Single : A 122 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-3.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -121:sc= -2.15 (180deg=-5.31!) USER MOD Single : A 125 ASN : amide:sc= 0.245 K(o=0.24,f=-1.8) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -147:sc= -0.835 (180deg=-1.78) USER MOD Single : A 135 TYR OH : rot 180:sc= -0.69 USER MOD Single : A 142 SER OG : rot 180:sc= -0.819 USER MOD Single : A 144 HIS : no HE2:sc= 0.0736 K(o=0.074,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 2.448 15.013 -14.265 1.00 35.42 N ATOM 75 CA CYS A 1 2.121 14.258 -13.061 1.00 14.43 C ATOM 76 C CYS A 1 2.464 12.782 -13.237 1.00 34.54 C ATOM 77 O CYS A 1 3.068 12.388 -14.234 1.00 43.20 O ATOM 78 CB CYS A 1 0.636 14.411 -12.725 1.00 52.52 C ATOM 79 SG CYS A 1 0.301 14.725 -10.962 1.00 14.44 S ATOM 0 H1 CYS A 1 2.813 15.950 -13.999 1.00 35.42 H new ATOM 0 H2 CYS A 1 3.172 14.502 -14.810 1.00 35.42 H new ATOM 0 H3 CYS A 1 1.593 15.127 -14.846 1.00 35.42 H new ATOM 0 HA CYS A 1 2.715 14.657 -12.239 1.00 14.43 H new ATOM 0 HB2 CYS A 1 0.224 15.231 -13.314 1.00 52.52 H new ATOM 0 HB3 CYS A 1 0.111 13.505 -13.028 1.00 52.52 H new ATOM 83 N SER A 2 2.075 11.969 -12.258 1.00 11.00 N ATOM 84 CA SER A 2 2.344 10.537 -12.302 1.00 13.54 C ATOM 85 C SER A 2 3.824 10.270 -12.563 1.00 42.41 C ATOM 86 O SER A 2 4.214 9.914 -13.675 1.00 65.41 O ATOM 87 CB SER A 2 1.495 9.869 -13.384 1.00 42.44 C ATOM 88 OG SER A 2 0.238 10.509 -13.512 1.00 72.15 O ATOM 0 H SER A 2 1.573 12.279 -11.426 1.00 11.00 H new ATOM 0 HA SER A 2 2.081 10.114 -11.333 1.00 13.54 H new ATOM 0 HB2 SER A 2 2.023 9.903 -14.337 1.00 42.44 H new ATOM 0 HB3 SER A 2 1.348 8.817 -13.138 1.00 42.44 H new ATOM 0 HG SER A 2 -0.286 10.065 -14.211 1.00 72.15 H new ATOM 93 N GLU A 3 4.642 10.446 -11.531 1.00 24.22 N ATOM 94 CA GLU A 3 6.079 10.225 -11.649 1.00 61.22 C ATOM 95 C GLU A 3 6.551 9.169 -10.654 1.00 61.25 C ATOM 96 O GLU A 3 5.948 8.959 -9.600 1.00 5.55 O ATOM 97 CB GLU A 3 6.839 11.533 -11.420 1.00 3.25 C ATOM 98 CG GLU A 3 6.228 12.725 -12.138 1.00 11.23 C ATOM 99 CD GLU A 3 6.218 12.557 -13.645 1.00 61.21 C ATOM 100 OE1 GLU A 3 6.849 11.598 -14.138 1.00 62.52 O ATOM 101 OE2 GLU A 3 5.581 13.384 -14.330 1.00 61.20 O ATOM 0 H GLU A 3 4.335 10.741 -10.604 1.00 24.22 H new ATOM 0 HA GLU A 3 6.284 9.866 -12.658 1.00 61.22 H new ATOM 0 HB2 GLU A 3 6.873 11.742 -10.351 1.00 3.25 H new ATOM 0 HB3 GLU A 3 7.869 11.408 -11.753 1.00 3.25 H new ATOM 0 HG2 GLU A 3 5.207 12.872 -11.786 1.00 11.23 H new ATOM 0 HG3 GLU A 3 6.787 13.625 -11.880 1.00 11.23 H new ATOM 106 N PRO A 4 7.654 8.487 -10.994 1.00 1.54 N ATOM 107 CA PRO A 4 8.232 7.441 -10.145 1.00 34.43 C ATOM 108 C PRO A 4 8.855 8.006 -8.873 1.00 32.34 C ATOM 109 O PRO A 4 8.625 9.163 -8.517 1.00 73.22 O ATOM 110 CB PRO A 4 9.309 6.817 -11.034 1.00 2.24 C ATOM 111 CG PRO A 4 9.680 7.894 -11.995 1.00 21.40 C ATOM 112 CD PRO A 4 8.424 8.684 -12.234 1.00 54.33 C ATOM 0 HA PRO A 4 7.478 6.732 -9.803 1.00 34.43 H new ATOM 0 HB2 PRO A 4 10.170 6.497 -10.447 1.00 2.24 H new ATOM 0 HB3 PRO A 4 8.932 5.936 -11.553 1.00 2.24 H new ATOM 0 HG2 PRO A 4 10.468 8.527 -11.587 1.00 21.40 H new ATOM 0 HG3 PRO A 4 10.060 7.473 -12.926 1.00 21.40 H new ATOM 0 HD2 PRO A 4 8.640 9.738 -12.410 1.00 54.33 H new ATOM 0 HD3 PRO A 4 7.881 8.320 -13.106 1.00 54.33 H new ATOM 117 N LEU A 5 9.644 7.184 -8.191 1.00 35.22 N ATOM 118 CA LEU A 5 10.301 7.603 -6.957 1.00 25.44 C ATOM 119 C LEU A 5 11.817 7.489 -7.081 1.00 54.31 C ATOM 120 O LEU A 5 12.508 7.172 -6.114 1.00 12.53 O ATOM 121 CB LEU A 5 9.810 6.754 -5.782 1.00 11.34 C ATOM 122 CG LEU A 5 9.704 5.251 -6.037 1.00 3.13 C ATOM 123 CD1 LEU A 5 8.469 4.937 -6.867 1.00 64.10 C ATOM 124 CD2 LEU A 5 10.959 4.737 -6.729 1.00 53.23 C ATOM 0 H LEU A 5 9.845 6.224 -8.471 1.00 35.22 H new ATOM 0 HA LEU A 5 10.047 8.647 -6.776 1.00 25.44 H new ATOM 0 HB2 LEU A 5 10.483 6.912 -4.939 1.00 11.34 H new ATOM 0 HB3 LEU A 5 8.829 7.121 -5.480 1.00 11.34 H new ATOM 0 HG LEU A 5 9.610 4.744 -5.076 1.00 3.13 H new ATOM 0 HD11 LEU A 5 8.410 3.862 -7.039 1.00 64.10 H new ATOM 0 HD12 LEU A 5 7.578 5.269 -6.334 1.00 64.10 H new ATOM 0 HD13 LEU A 5 8.533 5.454 -7.824 1.00 64.10 H new ATOM 0 HD21 LEU A 5 10.866 3.665 -6.903 1.00 53.23 H new ATOM 0 HD22 LEU A 5 11.084 5.249 -7.683 1.00 53.23 H new ATOM 0 HD23 LEU A 5 11.827 4.928 -6.098 1.00 53.23 H new ATOM 135 N GLY A 6 12.329 7.755 -8.280 1.00 11.12 N ATOM 136 CA GLY A 6 13.759 7.680 -8.509 1.00 35.04 C ATOM 137 C GLY A 6 14.104 7.489 -9.972 1.00 42.25 C ATOM 138 O GLY A 6 15.221 7.782 -10.399 1.00 13.34 O ATOM 0 H GLY A 6 11.778 8.021 -9.096 1.00 11.12 H new ATOM 0 HA2 GLY A 6 14.230 8.593 -8.144 1.00 35.04 H new ATOM 0 HA3 GLY A 6 14.173 6.854 -7.931 1.00 35.04 H new ATOM 142 N LEU A 7 13.142 6.997 -10.744 1.00 45.34 N ATOM 143 CA LEU A 7 13.349 6.765 -12.170 1.00 43.45 C ATOM 144 C LEU A 7 13.139 8.049 -12.967 1.00 33.14 C ATOM 145 O LEU A 7 13.362 8.086 -14.177 1.00 64.12 O ATOM 146 CB LEU A 7 12.397 5.679 -12.675 1.00 34.20 C ATOM 147 CG LEU A 7 12.583 4.288 -12.066 1.00 34.35 C ATOM 148 CD1 LEU A 7 14.052 3.896 -12.073 1.00 1.13 C ATOM 149 CD2 LEU A 7 12.025 4.246 -10.651 1.00 63.14 C ATOM 0 H LEU A 7 12.211 6.751 -10.407 1.00 45.34 H new ATOM 0 HA LEU A 7 14.378 6.433 -12.312 1.00 43.45 H new ATOM 0 HB2 LEU A 7 11.374 6.003 -12.485 1.00 34.20 H new ATOM 0 HB3 LEU A 7 12.510 5.599 -13.756 1.00 34.20 H new ATOM 0 HG LEU A 7 12.033 3.569 -12.673 1.00 34.35 H new ATOM 0 HD11 LEU A 7 14.166 2.904 -11.636 1.00 1.13 H new ATOM 0 HD12 LEU A 7 14.421 3.886 -13.099 1.00 1.13 H new ATOM 0 HD13 LEU A 7 14.624 4.617 -11.489 1.00 1.13 H new ATOM 0 HD21 LEU A 7 12.166 3.249 -10.234 1.00 63.14 H new ATOM 0 HD22 LEU A 7 12.547 4.976 -10.032 1.00 63.14 H new ATOM 0 HD23 LEU A 7 10.961 4.483 -10.672 1.00 63.14 H new ATOM 160 N LYS A 8 12.711 9.103 -12.279 1.00 40.21 N ATOM 161 CA LYS A 8 12.475 10.391 -12.920 1.00 21.11 C ATOM 162 C LYS A 8 13.732 11.253 -12.887 1.00 51.03 C ATOM 163 O LYS A 8 14.268 11.625 -13.930 1.00 30.23 O ATOM 164 CB LYS A 8 11.322 11.124 -12.229 1.00 22.43 C ATOM 165 CG LYS A 8 10.802 12.316 -13.013 1.00 64.12 C ATOM 166 CD LYS A 8 11.147 13.628 -12.328 1.00 60.42 C ATOM 167 CE LYS A 8 10.173 14.730 -12.715 1.00 14.22 C ATOM 168 NZ LYS A 8 10.878 15.994 -13.068 1.00 11.23 N ATOM 0 H LYS A 8 12.521 9.090 -11.277 1.00 40.21 H new ATOM 0 HA LYS A 8 12.209 10.208 -13.961 1.00 21.11 H new ATOM 0 HB2 LYS A 8 10.504 10.423 -12.065 1.00 22.43 H new ATOM 0 HB3 LYS A 8 11.654 11.462 -11.247 1.00 22.43 H new ATOM 0 HG2 LYS A 8 11.227 12.306 -14.017 1.00 64.12 H new ATOM 0 HG3 LYS A 8 9.721 12.236 -13.124 1.00 64.12 H new ATOM 0 HD2 LYS A 8 11.132 13.490 -11.247 1.00 60.42 H new ATOM 0 HD3 LYS A 8 12.161 13.925 -12.597 1.00 60.42 H new ATOM 0 HE2 LYS A 8 9.570 14.401 -13.562 1.00 14.22 H new ATOM 0 HE3 LYS A 8 9.487 14.915 -11.888 1.00 14.22 H new ATOM 0 HZ1 LYS A 8 10.180 16.720 -13.326 1.00 11.23 H new ATOM 0 HZ2 LYS A 8 11.433 16.322 -12.252 1.00 11.23 H new ATOM 0 HZ3 LYS A 8 11.514 15.824 -13.873 1.00 11.23 H new ATOM 178 N ASN A 9 14.198 11.568 -11.683 1.00 22.40 N ATOM 179 CA ASN A 9 15.393 12.386 -11.515 1.00 23.45 C ATOM 180 C ASN A 9 15.781 12.488 -10.043 1.00 73.31 C ATOM 181 O ASN A 9 16.354 13.487 -9.609 1.00 61.14 O ATOM 182 CB ASN A 9 15.165 13.784 -12.093 1.00 32.23 C ATOM 183 CG ASN A 9 16.054 14.068 -13.287 1.00 45.32 C ATOM 184 OD1 ASN A 9 17.280 14.021 -13.189 1.00 32.34 O ATOM 185 ND2 ASN A 9 15.438 14.367 -14.425 1.00 63.21 N ATOM 0 H ASN A 9 13.766 11.269 -10.809 1.00 22.40 H new ATOM 0 HA ASN A 9 16.210 11.906 -12.054 1.00 23.45 H new ATOM 0 HB2 ASN A 9 14.121 13.886 -12.389 1.00 32.23 H new ATOM 0 HB3 ASN A 9 15.352 14.529 -11.319 1.00 32.23 H new ATOM 0 HD21 ASN A 9 15.984 14.569 -15.263 1.00 63.21 H new ATOM 0 HD22 ASN A 9 14.419 14.395 -14.461 1.00 63.21 H new ATOM 191 N ASN A 10 15.464 11.448 -9.279 1.00 45.03 N ATOM 192 CA ASN A 10 15.778 11.421 -7.855 1.00 64.11 C ATOM 193 C ASN A 10 16.755 10.294 -7.536 1.00 21.42 C ATOM 194 O ASN A 10 17.528 10.378 -6.581 1.00 34.50 O ATOM 195 CB ASN A 10 14.499 11.250 -7.033 1.00 33.41 C ATOM 196 CG ASN A 10 13.602 12.472 -7.098 1.00 2.51 C ATOM 197 OD1 ASN A 10 13.277 13.071 -6.073 1.00 52.54 O ATOM 198 ND2 ASN A 10 13.198 12.845 -8.307 1.00 1.45 N ATOM 0 H ASN A 10 14.990 10.613 -9.622 1.00 45.03 H new ATOM 0 HA ASN A 10 16.246 12.370 -7.593 1.00 64.11 H new ATOM 0 HB2 ASN A 10 13.951 10.381 -7.396 1.00 33.41 H new ATOM 0 HB3 ASN A 10 14.762 11.050 -5.994 1.00 33.41 H new ATOM 0 HD21 ASN A 10 12.593 13.659 -8.414 1.00 1.45 H new ATOM 0 HD22 ASN A 10 13.493 12.317 -9.129 1.00 1.45 H new ATOM 204 N THR A 11 16.716 9.237 -8.342 1.00 33.12 N ATOM 205 CA THR A 11 17.597 8.093 -8.145 1.00 12.23 C ATOM 206 C THR A 11 17.611 7.654 -6.685 1.00 13.42 C ATOM 207 O THR A 11 18.642 7.728 -6.015 1.00 3.31 O ATOM 208 CB THR A 11 19.038 8.410 -8.587 1.00 44.12 C ATOM 209 OG1 THR A 11 19.605 9.408 -7.731 1.00 20.51 O ATOM 210 CG2 THR A 11 19.066 8.897 -10.029 1.00 21.04 C ATOM 0 H THR A 11 16.083 9.150 -9.137 1.00 33.12 H new ATOM 0 HA THR A 11 17.205 7.284 -8.761 1.00 12.23 H new ATOM 0 HB THR A 11 19.626 7.495 -8.517 1.00 44.12 H new ATOM 0 HG1 THR A 11 19.156 9.386 -6.860 1.00 20.51 H new ATOM 0 HG21 THR A 11 20.094 9.115 -10.320 1.00 21.04 H new ATOM 0 HG22 THR A 11 18.660 8.124 -10.682 1.00 21.04 H new ATOM 0 HG23 THR A 11 18.464 9.801 -10.119 1.00 21.04 H new ATOM 218 N ILE A 12 16.462 7.197 -6.198 1.00 54.31 N ATOM 219 CA ILE A 12 16.344 6.745 -4.818 1.00 31.21 C ATOM 220 C ILE A 12 16.722 5.273 -4.687 1.00 71.43 C ATOM 221 O ILE A 12 16.284 4.423 -5.462 1.00 45.42 O ATOM 222 CB ILE A 12 14.915 6.947 -4.279 1.00 5.44 C ATOM 223 CG1 ILE A 12 14.500 8.413 -4.412 1.00 62.12 C ATOM 224 CG2 ILE A 12 14.827 6.494 -2.830 1.00 72.43 C ATOM 225 CD1 ILE A 12 15.418 9.370 -3.684 1.00 21.00 C ATOM 0 H ILE A 12 15.600 7.130 -6.739 1.00 54.31 H new ATOM 0 HA ILE A 12 17.034 7.349 -4.228 1.00 31.21 H new ATOM 0 HB ILE A 12 14.229 6.340 -4.870 1.00 5.44 H new ATOM 0 HG12 ILE A 12 14.474 8.680 -5.468 1.00 62.12 H new ATOM 0 HG13 ILE A 12 13.487 8.532 -4.028 1.00 62.12 H new ATOM 0 HG21 ILE A 12 13.811 6.643 -2.463 1.00 72.43 H new ATOM 0 HG22 ILE A 12 15.086 5.437 -2.763 1.00 72.43 H new ATOM 0 HG23 ILE A 12 15.521 7.077 -2.224 1.00 72.43 H new ATOM 0 HD11 ILE A 12 15.063 10.391 -3.822 1.00 21.00 H new ATOM 0 HD12 ILE A 12 15.426 9.129 -2.621 1.00 21.00 H new ATOM 0 HD13 ILE A 12 16.428 9.280 -4.084 1.00 21.00 H new ATOM 236 N PRO A 13 17.553 4.963 -3.682 1.00 21.00 N ATOM 237 CA PRO A 13 18.006 3.593 -3.424 1.00 12.35 C ATOM 238 C PRO A 13 16.886 2.700 -2.903 1.00 33.31 C ATOM 239 O PRO A 13 15.715 3.082 -2.922 1.00 23.22 O ATOM 240 CB PRO A 13 19.088 3.772 -2.355 1.00 53.35 C ATOM 241 CG PRO A 13 18.734 5.046 -1.668 1.00 63.01 C ATOM 242 CD PRO A 13 18.115 5.925 -2.718 1.00 45.21 C ATOM 0 HA PRO A 13 18.360 3.104 -4.331 1.00 12.35 H new ATOM 0 HB2 PRO A 13 19.097 2.935 -1.657 1.00 53.35 H new ATOM 0 HB3 PRO A 13 20.081 3.826 -2.802 1.00 53.35 H new ATOM 0 HG2 PRO A 13 18.037 4.867 -0.849 1.00 63.01 H new ATOM 0 HG3 PRO A 13 19.618 5.516 -1.238 1.00 63.01 H new ATOM 0 HD2 PRO A 13 17.343 6.570 -2.298 1.00 45.21 H new ATOM 0 HD3 PRO A 13 18.855 6.575 -3.185 1.00 45.21 H new ATOM 247 N ASP A 14 17.251 1.511 -2.437 1.00 30.14 N ATOM 248 CA ASP A 14 16.276 0.564 -1.909 1.00 42.21 C ATOM 249 C ASP A 14 16.167 0.685 -0.392 1.00 24.22 C ATOM 250 O ASP A 14 15.764 -0.259 0.288 1.00 13.25 O ATOM 251 CB ASP A 14 16.662 -0.866 -2.293 1.00 54.24 C ATOM 252 CG ASP A 14 18.077 -1.215 -1.877 1.00 51.21 C ATOM 253 OD1 ASP A 14 18.286 -1.528 -0.687 1.00 34.31 O ATOM 254 OD2 ASP A 14 18.976 -1.175 -2.744 1.00 32.22 O ATOM 0 H ASP A 14 18.215 1.180 -2.414 1.00 30.14 H new ATOM 0 HA ASP A 14 15.305 0.799 -2.345 1.00 42.21 H new ATOM 0 HB2 ASP A 14 15.967 -1.564 -1.827 1.00 54.24 H new ATOM 0 HB3 ASP A 14 16.563 -0.989 -3.371 1.00 54.24 H new ATOM 258 N SER A 15 16.530 1.852 0.131 1.00 71.21 N ATOM 259 CA SER A 15 16.477 2.095 1.568 1.00 43.21 C ATOM 260 C SER A 15 15.237 2.903 1.937 1.00 21.15 C ATOM 261 O SER A 15 15.221 3.606 2.947 1.00 54.25 O ATOM 262 CB SER A 15 17.736 2.832 2.028 1.00 55.30 C ATOM 263 OG SER A 15 17.722 3.040 3.429 1.00 70.14 O ATOM 0 H SER A 15 16.864 2.644 -0.419 1.00 71.21 H new ATOM 0 HA SER A 15 16.424 1.131 2.073 1.00 43.21 H new ATOM 0 HB2 SER A 15 18.619 2.257 1.752 1.00 55.30 H new ATOM 0 HB3 SER A 15 17.807 3.791 1.515 1.00 55.30 H new ATOM 0 HG SER A 15 16.864 3.432 3.693 1.00 70.14 H new ATOM 268 N GLN A 16 14.201 2.795 1.112 1.00 13.11 N ATOM 269 CA GLN A 16 12.956 3.516 1.352 1.00 13.10 C ATOM 270 C GLN A 16 11.885 2.583 1.907 1.00 43.22 C ATOM 271 O GLN A 16 11.149 2.944 2.826 1.00 3.34 O ATOM 272 CB GLN A 16 12.463 4.167 0.059 1.00 63.54 C ATOM 273 CG GLN A 16 12.256 3.180 -1.079 1.00 52.51 C ATOM 274 CD GLN A 16 11.892 3.861 -2.384 1.00 34.15 C ATOM 275 OE1 GLN A 16 10.734 4.210 -2.614 1.00 43.10 O ATOM 276 NE2 GLN A 16 12.883 4.055 -3.247 1.00 32.23 N ATOM 0 H GLN A 16 14.199 2.216 0.272 1.00 13.11 H new ATOM 0 HA GLN A 16 13.152 4.294 2.090 1.00 13.10 H new ATOM 0 HB2 GLN A 16 11.523 4.683 0.257 1.00 63.54 H new ATOM 0 HB3 GLN A 16 13.182 4.924 -0.254 1.00 63.54 H new ATOM 0 HG2 GLN A 16 13.166 2.597 -1.219 1.00 52.51 H new ATOM 0 HG3 GLN A 16 11.467 2.479 -0.807 1.00 52.51 H new ATOM 0 HE21 GLN A 16 13.828 3.750 -3.015 1.00 32.23 H new ATOM 0 HE22 GLN A 16 12.699 4.509 -4.141 1.00 32.23 H new ATOM 283 N MET A 17 11.801 1.383 1.342 1.00 2.44 N ATOM 284 CA MET A 17 10.821 0.398 1.782 1.00 44.14 C ATOM 285 C MET A 17 11.412 -0.523 2.843 1.00 35.03 C ATOM 286 O MET A 17 12.630 -0.689 2.927 1.00 42.15 O ATOM 287 CB MET A 17 10.327 -0.428 0.592 1.00 43.55 C ATOM 288 CG MET A 17 9.157 0.207 -0.144 1.00 11.22 C ATOM 289 SD MET A 17 9.177 -0.145 -1.913 1.00 70.33 S ATOM 290 CE MET A 17 8.270 1.262 -2.548 1.00 11.03 C ATOM 0 H MET A 17 12.400 1.070 0.578 1.00 2.44 H new ATOM 0 HA MET A 17 9.978 0.933 2.220 1.00 44.14 H new ATOM 0 HB2 MET A 17 11.151 -0.572 -0.107 1.00 43.55 H new ATOM 0 HB3 MET A 17 10.031 -1.416 0.944 1.00 43.55 H new ATOM 0 HG2 MET A 17 8.223 -0.156 0.284 1.00 11.22 H new ATOM 0 HG3 MET A 17 9.179 1.286 0.008 1.00 11.22 H new ATOM 0 HE1 MET A 17 7.313 0.927 -2.948 1.00 11.03 H new ATOM 0 HE2 MET A 17 8.098 1.977 -1.743 1.00 11.03 H new ATOM 0 HE3 MET A 17 8.847 1.739 -3.340 1.00 11.03 H new ATOM 298 N SER A 18 10.543 -1.120 3.654 1.00 15.24 N ATOM 299 CA SER A 18 10.982 -2.021 4.713 1.00 75.45 C ATOM 300 C SER A 18 9.788 -2.712 5.366 1.00 31.43 C ATOM 301 O SER A 18 8.924 -2.061 5.952 1.00 35.45 O ATOM 302 CB SER A 18 11.780 -1.251 5.769 1.00 24.13 C ATOM 303 OG SER A 18 11.175 -0.003 6.056 1.00 43.43 O ATOM 0 H SER A 18 9.532 -0.996 3.598 1.00 15.24 H new ATOM 0 HA SER A 18 11.623 -2.782 4.267 1.00 75.45 H new ATOM 0 HB2 SER A 18 11.848 -1.844 6.681 1.00 24.13 H new ATOM 0 HB3 SER A 18 12.799 -1.092 5.415 1.00 24.13 H new ATOM 0 HG SER A 18 11.703 0.468 6.734 1.00 43.43 H new ATOM 308 N ALA A 19 9.748 -4.036 5.258 1.00 12.01 N ATOM 309 CA ALA A 19 8.664 -4.817 5.840 1.00 64.03 C ATOM 310 C ALA A 19 9.170 -5.705 6.971 1.00 4.35 C ATOM 311 O ALA A 19 10.365 -5.732 7.263 1.00 13.53 O ATOM 312 CB ALA A 19 7.987 -5.659 4.767 1.00 30.50 C ATOM 0 H ALA A 19 10.454 -4.590 4.773 1.00 12.01 H new ATOM 0 HA ALA A 19 7.934 -4.124 6.259 1.00 64.03 H new ATOM 0 HB1 ALA A 19 7.179 -6.238 5.215 1.00 30.50 H new ATOM 0 HB2 ALA A 19 7.581 -5.006 3.995 1.00 30.50 H new ATOM 0 HB3 ALA A 19 8.716 -6.337 4.323 1.00 30.50 H new ATOM 318 N SER A 20 8.254 -6.431 7.603 1.00 61.03 N ATOM 319 CA SER A 20 8.608 -7.317 8.705 1.00 32.03 C ATOM 320 C SER A 20 9.780 -8.216 8.324 1.00 23.45 C ATOM 321 O SER A 20 10.791 -8.268 9.024 1.00 12.50 O ATOM 322 CB SER A 20 7.404 -8.171 9.108 1.00 2.03 C ATOM 323 OG SER A 20 7.762 -9.123 10.096 1.00 43.02 O ATOM 0 H SER A 20 7.261 -6.423 7.371 1.00 61.03 H new ATOM 0 HA SER A 20 8.907 -6.701 9.553 1.00 32.03 H new ATOM 0 HB2 SER A 20 6.610 -7.529 9.488 1.00 2.03 H new ATOM 0 HB3 SER A 20 7.008 -8.683 8.231 1.00 2.03 H new ATOM 0 HG SER A 20 6.975 -9.655 10.338 1.00 43.02 H new ATOM 328 N SER A 21 9.635 -8.926 7.210 1.00 41.53 N ATOM 329 CA SER A 21 10.680 -9.827 6.735 1.00 61.50 C ATOM 330 C SER A 21 10.279 -10.475 5.414 1.00 51.25 C ATOM 331 O SER A 21 9.104 -10.495 5.051 1.00 64.24 O ATOM 332 CB SER A 21 10.963 -10.908 7.780 1.00 70.43 C ATOM 333 OG SER A 21 11.876 -11.870 7.285 1.00 4.35 O ATOM 0 H SER A 21 8.804 -8.895 6.619 1.00 41.53 H new ATOM 0 HA SER A 21 11.585 -9.241 6.573 1.00 61.50 H new ATOM 0 HB2 SER A 21 11.367 -10.449 8.682 1.00 70.43 H new ATOM 0 HB3 SER A 21 10.031 -11.398 8.062 1.00 70.43 H new ATOM 0 HG SER A 21 12.285 -12.350 8.036 1.00 4.35 H new ATOM 338 N SER A 22 11.267 -11.002 4.698 1.00 45.12 N ATOM 339 CA SER A 22 11.020 -11.648 3.413 1.00 72.32 C ATOM 340 C SER A 22 11.031 -13.167 3.557 1.00 75.51 C ATOM 341 O SER A 22 11.431 -13.699 4.592 1.00 24.44 O ATOM 342 CB SER A 22 12.071 -11.214 2.390 1.00 41.20 C ATOM 343 OG SER A 22 12.762 -12.332 1.863 1.00 44.30 O ATOM 0 H SER A 22 12.246 -10.995 4.985 1.00 45.12 H new ATOM 0 HA SER A 22 10.034 -11.341 3.064 1.00 72.32 H new ATOM 0 HB2 SER A 22 11.590 -10.665 1.580 1.00 41.20 H new ATOM 0 HB3 SER A 22 12.780 -10.532 2.860 1.00 41.20 H new ATOM 0 HG SER A 22 13.427 -12.028 1.211 1.00 44.30 H new ATOM 348 N TYR A 23 10.588 -13.856 2.512 1.00 23.41 N ATOM 349 CA TYR A 23 10.544 -15.314 2.521 1.00 74.41 C ATOM 350 C TYR A 23 11.890 -15.897 2.944 1.00 71.54 C ATOM 351 O TYR A 23 12.938 -15.499 2.438 1.00 14.23 O ATOM 352 CB TYR A 23 10.159 -15.843 1.140 1.00 43.23 C ATOM 353 CG TYR A 23 10.302 -17.342 1.002 1.00 14.24 C ATOM 354 CD1 TYR A 23 9.858 -18.196 2.004 1.00 11.23 C ATOM 355 CD2 TYR A 23 10.883 -17.903 -0.128 1.00 4.42 C ATOM 356 CE1 TYR A 23 9.988 -19.566 1.884 1.00 14.34 C ATOM 357 CE2 TYR A 23 11.015 -19.272 -0.258 1.00 12.41 C ATOM 358 CZ TYR A 23 10.568 -20.100 0.751 1.00 52.05 C ATOM 359 OH TYR A 23 10.700 -21.463 0.626 1.00 71.21 O ATOM 0 H TYR A 23 10.254 -13.429 1.648 1.00 23.41 H new ATOM 0 HA TYR A 23 9.790 -15.624 3.244 1.00 74.41 H new ATOM 0 HB2 TYR A 23 9.127 -15.564 0.929 1.00 43.23 H new ATOM 0 HB3 TYR A 23 10.781 -15.357 0.388 1.00 43.23 H new ATOM 0 HD1 TYR A 23 9.404 -17.782 2.892 1.00 11.23 H new ATOM 0 HD2 TYR A 23 11.238 -17.258 -0.918 1.00 4.42 H new ATOM 0 HE1 TYR A 23 9.638 -20.216 2.672 1.00 14.34 H new ATOM 0 HE2 TYR A 23 11.466 -19.692 -1.145 1.00 12.41 H new ATOM 0 HH TYR A 23 11.127 -21.673 -0.231 1.00 71.21 H new ATOM 534 N TYR A 34 15.923 -6.694 1.408 1.00 10.41 N ATOM 535 CA TYR A 34 16.191 -5.864 0.239 1.00 34.11 C ATOM 536 C TYR A 34 14.904 -5.568 -0.525 1.00 60.20 C ATOM 537 O TYR A 34 14.694 -6.038 -1.644 1.00 31.31 O ATOM 538 CB TYR A 34 17.198 -6.554 -0.682 1.00 43.45 C ATOM 539 CG TYR A 34 18.525 -6.845 -0.020 1.00 34.54 C ATOM 540 CD1 TYR A 34 19.291 -5.823 0.527 1.00 65.12 C ATOM 541 CD2 TYR A 34 19.013 -8.144 0.061 1.00 62.44 C ATOM 542 CE1 TYR A 34 20.504 -6.085 1.133 1.00 61.40 C ATOM 543 CE2 TYR A 34 20.225 -8.416 0.667 1.00 40.04 C ATOM 544 CZ TYR A 34 20.967 -7.383 1.201 1.00 43.14 C ATOM 545 OH TYR A 34 22.174 -7.648 1.804 1.00 70.11 O ATOM 0 HA TYR A 34 16.612 -4.920 0.584 1.00 34.11 H new ATOM 0 HB2 TYR A 34 16.768 -7.489 -1.041 1.00 43.45 H new ATOM 0 HB3 TYR A 34 17.368 -5.925 -1.556 1.00 43.45 H new ATOM 0 HD1 TYR A 34 18.931 -4.806 0.477 1.00 65.12 H new ATOM 0 HD2 TYR A 34 18.435 -8.955 -0.357 1.00 62.44 H new ATOM 0 HE1 TYR A 34 21.087 -5.278 1.552 1.00 61.40 H new ATOM 0 HE2 TYR A 34 20.589 -9.431 0.722 1.00 40.04 H new ATOM 0 HH TYR A 34 22.353 -8.611 1.769 1.00 70.11 H new ATOM 554 N PRO A 35 14.021 -4.768 0.092 1.00 1.23 N ATOM 555 CA PRO A 35 12.739 -4.390 -0.511 1.00 14.44 C ATOM 556 C PRO A 35 12.913 -3.447 -1.697 1.00 12.15 C ATOM 557 O PRO A 35 14.034 -3.183 -2.134 1.00 11.42 O ATOM 558 CB PRO A 35 12.005 -3.683 0.631 1.00 3.50 C ATOM 559 CG PRO A 35 13.088 -3.172 1.518 1.00 62.14 C ATOM 560 CD PRO A 35 14.206 -4.172 1.426 1.00 1.35 C ATOM 0 HA PRO A 35 12.205 -5.253 -0.909 1.00 14.44 H new ATOM 0 HB2 PRO A 35 11.382 -2.870 0.258 1.00 3.50 H new ATOM 0 HB3 PRO A 35 11.347 -4.370 1.164 1.00 3.50 H new ATOM 0 HG2 PRO A 35 13.421 -2.184 1.198 1.00 62.14 H new ATOM 0 HG3 PRO A 35 12.737 -3.073 2.545 1.00 62.14 H new ATOM 0 HD2 PRO A 35 15.181 -3.694 1.521 1.00 1.35 H new ATOM 0 HD3 PRO A 35 14.140 -4.922 2.214 1.00 1.35 H new ATOM 565 N HIS A 36 11.798 -2.940 -2.213 1.00 1.21 N ATOM 566 CA HIS A 36 11.827 -2.025 -3.348 1.00 51.42 C ATOM 567 C HIS A 36 12.383 -2.717 -4.590 1.00 74.02 C ATOM 568 O HIS A 36 13.266 -2.187 -5.264 1.00 4.42 O ATOM 569 CB HIS A 36 12.671 -0.794 -3.015 1.00 40.31 C ATOM 570 CG HIS A 36 12.521 0.320 -4.005 1.00 41.31 C ATOM 571 ND1 HIS A 36 13.595 0.976 -4.569 1.00 12.24 N ATOM 572 CD2 HIS A 36 11.414 0.892 -4.533 1.00 53.32 C ATOM 573 CE1 HIS A 36 13.155 1.904 -5.399 1.00 10.34 C ATOM 574 NE2 HIS A 36 11.835 1.874 -5.397 1.00 32.12 N ATOM 0 H HIS A 36 10.863 -3.148 -1.863 1.00 1.21 H new ATOM 0 HA HIS A 36 10.804 -1.710 -3.556 1.00 51.42 H new ATOM 0 HB2 HIS A 36 12.393 -0.430 -2.026 1.00 40.31 H new ATOM 0 HB3 HIS A 36 13.720 -1.086 -2.965 1.00 40.31 H new ATOM 0 HD1 HIS A 36 14.576 0.776 -4.375 1.00 12.24 H new ATOM 0 HD2 HIS A 36 10.390 0.626 -4.316 1.00 53.32 H new ATOM 0 HE1 HIS A 36 13.771 2.574 -5.981 1.00 10.34 H new ATOM 581 N LEU A 37 11.859 -3.902 -4.884 1.00 54.22 N ATOM 582 CA LEU A 37 12.302 -4.667 -6.044 1.00 14.35 C ATOM 583 C LEU A 37 11.413 -4.391 -7.251 1.00 63.35 C ATOM 584 O LEU A 37 11.813 -4.609 -8.394 1.00 54.42 O ATOM 585 CB LEU A 37 12.300 -6.163 -5.725 1.00 32.52 C ATOM 586 CG LEU A 37 12.890 -6.561 -4.371 1.00 43.11 C ATOM 587 CD1 LEU A 37 12.188 -7.795 -3.825 1.00 62.22 C ATOM 588 CD2 LEU A 37 14.387 -6.808 -4.494 1.00 54.03 C ATOM 0 H LEU A 37 11.127 -4.354 -4.335 1.00 54.22 H new ATOM 0 HA LEU A 37 13.318 -4.355 -6.287 1.00 14.35 H new ATOM 0 HB2 LEU A 37 11.272 -6.523 -5.771 1.00 32.52 H new ATOM 0 HB3 LEU A 37 12.854 -6.682 -6.507 1.00 32.52 H new ATOM 0 HG LEU A 37 12.733 -5.740 -3.672 1.00 43.11 H new ATOM 0 HD11 LEU A 37 12.621 -8.063 -2.861 1.00 62.22 H new ATOM 0 HD12 LEU A 37 11.126 -7.584 -3.700 1.00 62.22 H new ATOM 0 HD13 LEU A 37 12.313 -8.623 -4.522 1.00 62.22 H new ATOM 0 HD21 LEU A 37 14.790 -7.090 -3.521 1.00 54.03 H new ATOM 0 HD22 LEU A 37 14.566 -7.612 -5.208 1.00 54.03 H new ATOM 0 HD23 LEU A 37 14.878 -5.899 -4.841 1.00 54.03 H new ATOM 599 N GLY A 38 10.201 -3.909 -6.989 1.00 40.40 N ATOM 600 CA GLY A 38 9.273 -3.609 -8.063 1.00 2.45 C ATOM 601 C GLY A 38 9.472 -2.218 -8.630 1.00 52.43 C ATOM 602 O GLY A 38 8.636 -1.723 -9.386 1.00 61.02 O ATOM 0 H GLY A 38 9.846 -3.721 -6.051 1.00 40.40 H new ATOM 0 HA2 GLY A 38 9.394 -4.343 -8.859 1.00 2.45 H new ATOM 0 HA3 GLY A 38 8.252 -3.705 -7.694 1.00 2.45 H new ATOM 606 N ARG A 39 10.580 -1.583 -8.261 1.00 40.51 N ATOM 607 CA ARG A 39 10.883 -0.238 -8.735 1.00 11.02 C ATOM 608 C ARG A 39 10.553 -0.097 -10.218 1.00 51.43 C ATOM 609 O ARG A 39 9.497 0.422 -10.584 1.00 34.20 O ATOM 610 CB ARG A 39 12.359 0.089 -8.498 1.00 34.43 C ATOM 611 CG ARG A 39 13.250 -1.140 -8.423 1.00 1.44 C ATOM 612 CD ARG A 39 14.723 -0.760 -8.406 1.00 63.13 C ATOM 613 NE ARG A 39 15.064 0.154 -9.492 1.00 2.44 N ATOM 614 CZ ARG A 39 15.349 -0.244 -10.727 1.00 22.12 C ATOM 615 NH1 ARG A 39 15.333 -1.535 -11.030 1.00 50.34 N ATOM 616 NH2 ARG A 39 15.651 0.649 -11.661 1.00 21.13 N ATOM 0 H ARG A 39 11.282 -1.978 -7.636 1.00 40.51 H new ATOM 0 HA ARG A 39 10.267 0.465 -8.174 1.00 11.02 H new ATOM 0 HB2 ARG A 39 12.713 0.735 -9.301 1.00 34.43 H new ATOM 0 HB3 ARG A 39 12.453 0.653 -7.570 1.00 34.43 H new ATOM 0 HG2 ARG A 39 13.010 -1.711 -7.526 1.00 1.44 H new ATOM 0 HG3 ARG A 39 13.050 -1.788 -9.276 1.00 1.44 H new ATOM 0 HD2 ARG A 39 14.967 -0.295 -7.451 1.00 63.13 H new ATOM 0 HD3 ARG A 39 15.331 -1.661 -8.486 1.00 63.13 H new ATOM 0 HE ARG A 39 15.085 1.154 -9.291 1.00 2.44 H new ATOM 0 HH11 ARG A 39 15.102 -2.224 -10.314 1.00 50.34 H new ATOM 0 HH12 ARG A 39 15.552 -1.839 -11.979 1.00 50.34 H new ATOM 0 HH21 ARG A 39 15.665 1.643 -11.431 1.00 21.13 H new ATOM 0 HH22 ARG A 39 15.870 0.342 -12.609 1.00 21.13 H new ATOM 627 N LEU A 40 11.462 -0.560 -11.069 1.00 34.21 N ATOM 628 CA LEU A 40 11.268 -0.485 -12.512 1.00 44.13 C ATOM 629 C LEU A 40 12.469 -1.063 -13.254 1.00 60.23 C ATOM 630 O LEU A 40 13.606 -0.644 -13.038 1.00 70.13 O ATOM 631 CB LEU A 40 11.040 0.965 -12.941 1.00 54.32 C ATOM 632 CG LEU A 40 11.189 1.255 -14.436 1.00 72.44 C ATOM 633 CD1 LEU A 40 10.365 0.272 -15.254 1.00 52.11 C ATOM 634 CD2 LEU A 40 10.776 2.686 -14.745 1.00 51.30 C ATOM 0 H LEU A 40 12.341 -0.992 -10.784 1.00 34.21 H new ATOM 0 HA LEU A 40 10.388 -1.076 -12.766 1.00 44.13 H new ATOM 0 HB2 LEU A 40 10.037 1.261 -12.632 1.00 54.32 H new ATOM 0 HB3 LEU A 40 11.741 1.598 -12.397 1.00 54.32 H new ATOM 0 HG LEU A 40 12.238 1.134 -14.708 1.00 72.44 H new ATOM 0 HD11 LEU A 40 10.483 0.493 -16.315 1.00 52.11 H new ATOM 0 HD12 LEU A 40 10.707 -0.744 -15.055 1.00 52.11 H new ATOM 0 HD13 LEU A 40 9.314 0.361 -14.979 1.00 52.11 H new ATOM 0 HD21 LEU A 40 10.888 2.875 -15.813 1.00 51.30 H new ATOM 0 HD22 LEU A 40 9.735 2.834 -14.458 1.00 51.30 H new ATOM 0 HD23 LEU A 40 11.408 3.376 -14.186 1.00 51.30 H new ATOM 645 N ASP A 41 12.208 -2.028 -14.130 1.00 55.20 N ATOM 646 CA ASP A 41 13.267 -2.661 -14.907 1.00 63.02 C ATOM 647 C ASP A 41 14.233 -3.414 -13.997 1.00 51.12 C ATOM 648 O ASP A 41 15.446 -3.235 -14.081 1.00 34.12 O ATOM 649 CB ASP A 41 14.026 -1.614 -15.723 1.00 5.03 C ATOM 650 CG ASP A 41 14.548 -2.170 -17.034 1.00 21.02 C ATOM 651 OD1 ASP A 41 15.160 -3.259 -17.016 1.00 74.01 O ATOM 652 OD2 ASP A 41 14.344 -1.516 -18.078 1.00 42.33 O ATOM 0 H ASP A 41 11.273 -2.388 -14.319 1.00 55.20 H new ATOM 0 HA ASP A 41 12.806 -3.376 -15.588 1.00 63.02 H new ATOM 0 HB2 ASP A 41 13.368 -0.769 -15.926 1.00 5.03 H new ATOM 0 HB3 ASP A 41 14.861 -1.234 -15.134 1.00 5.03 H new ATOM 656 N ASN A 42 13.683 -4.255 -13.127 1.00 31.13 N ATOM 657 CA ASN A 42 14.497 -5.034 -12.199 1.00 71.23 C ATOM 658 C ASN A 42 15.639 -5.731 -12.930 1.00 52.42 C ATOM 659 O ASN A 42 15.442 -6.318 -13.994 1.00 0.32 O ATOM 660 CB ASN A 42 13.632 -6.069 -11.476 1.00 2.44 C ATOM 661 CG ASN A 42 13.493 -7.358 -12.263 1.00 3.42 C ATOM 662 OD1 ASN A 42 13.892 -8.427 -11.801 1.00 45.55 O ATOM 663 ND2 ASN A 42 12.926 -7.261 -13.460 1.00 41.34 N ATOM 0 H ASN A 42 12.679 -4.415 -13.045 1.00 31.13 H new ATOM 0 HA ASN A 42 14.923 -4.350 -11.466 1.00 71.23 H new ATOM 0 HB2 ASN A 42 14.069 -6.287 -10.502 1.00 2.44 H new ATOM 0 HB3 ASN A 42 12.643 -5.649 -11.295 1.00 2.44 H new ATOM 0 HD21 ASN A 42 12.806 -8.094 -14.037 1.00 41.34 H new ATOM 0 HD22 ASN A 42 12.610 -6.354 -13.803 1.00 41.34 H new ATOM 669 N GLN A 43 16.834 -5.662 -12.352 1.00 62.12 N ATOM 670 CA GLN A 43 18.009 -6.287 -12.949 1.00 52.41 C ATOM 671 C GLN A 43 18.054 -7.777 -12.630 1.00 1.00 C ATOM 672 O GLN A 43 18.384 -8.595 -13.488 1.00 21.45 O ATOM 673 CB GLN A 43 19.284 -5.606 -12.449 1.00 30.34 C ATOM 674 CG GLN A 43 19.444 -5.652 -10.937 1.00 2.23 C ATOM 675 CD GLN A 43 20.075 -4.391 -10.379 1.00 52.43 C ATOM 676 OE1 GLN A 43 19.428 -3.622 -9.669 1.00 42.24 O ATOM 677 NE2 GLN A 43 21.346 -4.173 -10.698 1.00 62.23 N ATOM 0 H GLN A 43 17.014 -5.180 -11.471 1.00 62.12 H new ATOM 0 HA GLN A 43 17.943 -6.168 -14.031 1.00 52.41 H new ATOM 0 HB2 GLN A 43 20.147 -6.084 -12.912 1.00 30.34 H new ATOM 0 HB3 GLN A 43 19.282 -4.566 -12.775 1.00 30.34 H new ATOM 0 HG2 GLN A 43 18.467 -5.800 -10.476 1.00 2.23 H new ATOM 0 HG3 GLN A 43 20.057 -6.511 -10.666 1.00 2.23 H new ATOM 0 HE21 GLN A 43 21.844 -4.838 -11.290 1.00 62.23 H new ATOM 0 HE22 GLN A 43 21.823 -3.341 -10.351 1.00 62.23 H new ATOM 684 N GLY A 44 17.721 -8.122 -11.390 1.00 2.24 N ATOM 685 CA GLY A 44 17.731 -9.515 -10.980 1.00 55.34 C ATOM 686 C GLY A 44 16.705 -10.346 -11.724 1.00 42.34 C ATOM 687 O GLY A 44 16.977 -10.854 -12.812 1.00 52.23 O ATOM 0 H GLY A 44 17.445 -7.463 -10.662 1.00 2.24 H new ATOM 0 HA2 GLY A 44 18.724 -9.933 -11.148 1.00 55.34 H new ATOM 0 HA3 GLY A 44 17.537 -9.577 -9.909 1.00 55.34 H new ATOM 691 N LYS A 45 15.522 -10.487 -11.137 1.00 61.34 N ATOM 692 CA LYS A 45 14.450 -11.262 -11.750 1.00 22.42 C ATOM 693 C LYS A 45 13.191 -11.227 -10.888 1.00 5.51 C ATOM 694 O LYS A 45 12.075 -11.295 -11.403 1.00 52.25 O ATOM 695 CB LYS A 45 14.897 -12.711 -11.960 1.00 72.21 C ATOM 696 CG LYS A 45 15.224 -13.440 -10.668 1.00 50.42 C ATOM 697 CD LYS A 45 16.549 -12.976 -10.087 1.00 2.42 C ATOM 698 CE LYS A 45 17.253 -14.098 -9.339 1.00 64.33 C ATOM 699 NZ LYS A 45 16.506 -14.502 -8.115 1.00 30.14 N ATOM 0 H LYS A 45 15.281 -10.074 -10.236 1.00 61.34 H new ATOM 0 HA LYS A 45 14.219 -10.815 -12.717 1.00 22.42 H new ATOM 0 HB2 LYS A 45 14.110 -13.253 -12.484 1.00 72.21 H new ATOM 0 HB3 LYS A 45 15.775 -12.722 -12.606 1.00 72.21 H new ATOM 0 HG2 LYS A 45 14.428 -13.271 -9.942 1.00 50.42 H new ATOM 0 HG3 LYS A 45 15.263 -14.513 -10.854 1.00 50.42 H new ATOM 0 HD2 LYS A 45 17.192 -12.613 -10.889 1.00 2.42 H new ATOM 0 HD3 LYS A 45 16.378 -12.138 -9.411 1.00 2.42 H new ATOM 0 HE2 LYS A 45 17.365 -14.959 -9.997 1.00 64.33 H new ATOM 0 HE3 LYS A 45 18.257 -13.776 -9.062 1.00 64.33 H new ATOM 0 HZ1 LYS A 45 17.018 -15.269 -7.633 1.00 30.14 H new ATOM 0 HZ2 LYS A 45 16.421 -13.687 -7.475 1.00 30.14 H new ATOM 0 HZ3 LYS A 45 15.557 -14.833 -8.381 1.00 30.14 H new ATOM 709 N ILE A 46 13.380 -11.120 -9.578 1.00 5.10 N ATOM 710 CA ILE A 46 12.259 -11.074 -8.647 1.00 30.14 C ATOM 711 C ILE A 46 11.247 -10.010 -9.058 1.00 31.04 C ATOM 712 O ILE A 46 10.133 -10.326 -9.473 1.00 53.03 O ATOM 713 CB ILE A 46 12.733 -10.788 -7.210 1.00 54.12 C ATOM 714 CG1 ILE A 46 13.941 -11.660 -6.864 1.00 42.50 C ATOM 715 CG2 ILE A 46 11.601 -11.026 -6.222 1.00 24.44 C ATOM 716 CD1 ILE A 46 15.242 -10.891 -6.798 1.00 3.41 C ATOM 0 H ILE A 46 14.298 -11.064 -9.137 1.00 5.10 H new ATOM 0 HA ILE A 46 11.784 -12.054 -8.676 1.00 30.14 H new ATOM 0 HB ILE A 46 13.033 -9.742 -7.144 1.00 54.12 H new ATOM 0 HG12 ILE A 46 13.766 -12.145 -5.904 1.00 42.50 H new ATOM 0 HG13 ILE A 46 14.033 -12.451 -7.608 1.00 42.50 H new ATOM 0 HG21 ILE A 46 11.951 -10.820 -5.211 1.00 24.44 H new ATOM 0 HG22 ILE A 46 10.767 -10.366 -6.459 1.00 24.44 H new ATOM 0 HG23 ILE A 46 11.273 -12.063 -6.288 1.00 24.44 H new ATOM 0 HD11 ILE A 46 16.055 -11.572 -6.548 1.00 3.41 H new ATOM 0 HD12 ILE A 46 15.441 -10.428 -7.765 1.00 3.41 H new ATOM 0 HD13 ILE A 46 15.169 -10.117 -6.034 1.00 3.41 H new ATOM 727 N ASN A 47 11.644 -8.747 -8.940 1.00 0.10 N ATOM 728 CA ASN A 47 10.772 -7.635 -9.301 1.00 14.50 C ATOM 729 C ASN A 47 9.519 -7.622 -8.431 1.00 54.32 C ATOM 730 O ASN A 47 8.441 -7.238 -8.883 1.00 63.14 O ATOM 731 CB ASN A 47 10.380 -7.725 -10.778 1.00 33.13 C ATOM 732 CG ASN A 47 9.627 -6.497 -11.251 1.00 42.22 C ATOM 733 OD1 ASN A 47 8.585 -6.605 -11.897 1.00 41.40 O ATOM 734 ND2 ASN A 47 10.153 -5.321 -10.932 1.00 53.12 N ATOM 0 H ASN A 47 12.563 -8.468 -8.597 1.00 0.10 H new ATOM 0 HA ASN A 47 11.319 -6.707 -9.133 1.00 14.50 H new ATOM 0 HB2 ASN A 47 11.278 -7.853 -11.382 1.00 33.13 H new ATOM 0 HB3 ASN A 47 9.762 -8.609 -10.934 1.00 33.13 H new ATOM 0 HD21 ASN A 47 9.691 -4.460 -11.224 1.00 53.12 H new ATOM 0 HD22 ASN A 47 11.019 -5.279 -10.395 1.00 53.12 H new ATOM 740 N ALA A 48 9.670 -8.043 -7.180 1.00 32.54 N ATOM 741 CA ALA A 48 8.552 -8.077 -6.244 1.00 4.11 C ATOM 742 C ALA A 48 8.990 -8.611 -4.885 1.00 61.40 C ATOM 743 O ALA A 48 9.616 -9.666 -4.794 1.00 3.04 O ATOM 744 CB ALA A 48 7.420 -8.924 -6.807 1.00 61.40 C ATOM 0 H ALA A 48 10.556 -8.366 -6.791 1.00 32.54 H new ATOM 0 HA ALA A 48 8.194 -7.057 -6.105 1.00 4.11 H new ATOM 0 HB1 ALA A 48 6.592 -8.941 -6.099 1.00 61.40 H new ATOM 0 HB2 ALA A 48 7.081 -8.497 -7.751 1.00 61.40 H new ATOM 0 HB3 ALA A 48 7.775 -9.941 -6.975 1.00 61.40 H new ATOM 750 N TRP A 49 8.656 -7.875 -3.831 1.00 61.53 N ATOM 751 CA TRP A 49 9.015 -8.275 -2.475 1.00 13.04 C ATOM 752 C TRP A 49 8.089 -9.375 -1.968 1.00 32.31 C ATOM 753 O TRP A 49 6.882 -9.347 -2.213 1.00 35.41 O ATOM 754 CB TRP A 49 8.960 -7.071 -1.534 1.00 13.11 C ATOM 755 CG TRP A 49 9.070 -7.442 -0.087 1.00 13.12 C ATOM 756 CD1 TRP A 49 8.042 -7.699 0.774 1.00 75.24 C ATOM 757 CD2 TRP A 49 10.277 -7.597 0.668 1.00 75.40 C ATOM 758 NE1 TRP A 49 8.536 -8.002 2.020 1.00 31.44 N ATOM 759 CE2 TRP A 49 9.904 -7.948 1.981 1.00 12.44 C ATOM 760 CE3 TRP A 49 11.635 -7.474 0.364 1.00 62.30 C ATOM 761 CZ2 TRP A 49 10.842 -8.176 2.985 1.00 4.03 C ATOM 762 CZ3 TRP A 49 12.564 -7.701 1.362 1.00 0.53 C ATOM 763 CH2 TRP A 49 12.165 -8.050 2.659 1.00 11.12 C ATOM 0 H TRP A 49 8.137 -6.999 -3.889 1.00 61.53 H new ATOM 0 HA TRP A 49 10.033 -8.664 -2.496 1.00 13.04 H new ATOM 0 HB2 TRP A 49 9.767 -6.384 -1.788 1.00 13.11 H new ATOM 0 HB3 TRP A 49 8.024 -6.536 -1.694 1.00 13.11 H new ATOM 0 HD1 TRP A 49 6.994 -7.669 0.514 1.00 75.24 H new ATOM 0 HE1 TRP A 49 7.975 -8.230 2.841 1.00 31.44 H new ATOM 0 HE3 TRP A 49 11.953 -7.206 -0.633 1.00 62.30 H new ATOM 0 HZ2 TRP A 49 10.536 -8.443 3.986 1.00 4.03 H new ATOM 0 HZ3 TRP A 49 13.616 -7.608 1.138 1.00 0.53 H new ATOM 0 HH2 TRP A 49 12.916 -8.223 3.416 1.00 11.12 H new ATOM 773 N THR A 50 8.661 -10.345 -1.260 1.00 43.15 N ATOM 774 CA THR A 50 7.885 -11.455 -0.719 1.00 55.42 C ATOM 775 C THR A 50 7.808 -11.381 0.801 1.00 22.22 C ATOM 776 O THR A 50 8.589 -10.677 1.439 1.00 52.40 O ATOM 777 CB THR A 50 8.488 -12.811 -1.126 1.00 4.23 C ATOM 778 OG1 THR A 50 9.221 -12.676 -2.349 1.00 43.24 O ATOM 779 CG2 THR A 50 7.399 -13.859 -1.295 1.00 45.32 C ATOM 0 H THR A 50 9.658 -10.384 -1.048 1.00 43.15 H new ATOM 0 HA THR A 50 6.881 -11.373 -1.135 1.00 55.42 H new ATOM 0 HB THR A 50 9.162 -13.135 -0.333 1.00 4.23 H new ATOM 0 HG1 THR A 50 9.602 -13.543 -2.599 1.00 43.24 H new ATOM 0 HG21 THR A 50 7.850 -14.809 -1.583 1.00 45.32 H new ATOM 0 HG22 THR A 50 6.863 -13.982 -0.354 1.00 45.32 H new ATOM 0 HG23 THR A 50 6.703 -13.538 -2.070 1.00 45.32 H new ATOM 787 N ALA A 51 6.860 -12.114 1.376 1.00 32.15 N ATOM 788 CA ALA A 51 6.683 -12.135 2.823 1.00 51.32 C ATOM 789 C ALA A 51 7.506 -13.248 3.462 1.00 32.22 C ATOM 790 O ALA A 51 7.890 -14.207 2.795 1.00 25.43 O ATOM 791 CB ALA A 51 5.211 -12.298 3.172 1.00 74.24 C ATOM 0 H ALA A 51 6.203 -12.701 0.862 1.00 32.15 H new ATOM 0 HA ALA A 51 7.037 -11.184 3.221 1.00 51.32 H new ATOM 0 HB1 ALA A 51 5.093 -12.312 4.256 1.00 74.24 H new ATOM 0 HB2 ALA A 51 4.644 -11.465 2.756 1.00 74.24 H new ATOM 0 HB3 ALA A 51 4.840 -13.234 2.755 1.00 74.24 H new ATOM 797 N GLN A 52 7.774 -13.112 4.757 1.00 51.34 N ATOM 798 CA GLN A 52 8.553 -14.107 5.484 1.00 54.01 C ATOM 799 C GLN A 52 7.658 -15.228 6.000 1.00 52.14 C ATOM 800 O GLN A 52 7.860 -16.397 5.673 1.00 33.32 O ATOM 801 CB GLN A 52 9.294 -13.451 6.652 1.00 43.35 C ATOM 802 CG GLN A 52 9.937 -14.449 7.601 1.00 51.43 C ATOM 803 CD GLN A 52 9.265 -14.480 8.959 1.00 51.43 C ATOM 804 OE1 GLN A 52 9.000 -13.436 9.558 1.00 1.55 O ATOM 805 NE2 GLN A 52 8.984 -15.680 9.454 1.00 42.52 N ATOM 0 H GLN A 52 7.463 -12.323 5.324 1.00 51.34 H new ATOM 0 HA GLN A 52 9.281 -14.536 4.796 1.00 54.01 H new ATOM 0 HB2 GLN A 52 10.065 -12.789 6.257 1.00 43.35 H new ATOM 0 HB3 GLN A 52 8.595 -12.829 7.211 1.00 43.35 H new ATOM 0 HG2 GLN A 52 9.897 -15.444 7.157 1.00 51.43 H new ATOM 0 HG3 GLN A 52 10.990 -14.198 7.727 1.00 51.43 H new ATOM 0 HE21 GLN A 52 9.221 -16.519 8.924 1.00 42.52 H new ATOM 0 HE22 GLN A 52 8.531 -15.763 10.364 1.00 42.52 H new ATOM 812 N SER A 53 6.668 -14.864 6.808 1.00 74.24 N ATOM 813 CA SER A 53 5.744 -15.840 7.373 1.00 61.32 C ATOM 814 C SER A 53 4.585 -16.109 6.417 1.00 15.24 C ATOM 815 O SER A 53 3.630 -16.804 6.761 1.00 35.32 O ATOM 816 CB SER A 53 5.205 -15.347 8.718 1.00 50.23 C ATOM 817 OG SER A 53 6.182 -14.590 9.412 1.00 42.31 O ATOM 0 H SER A 53 6.485 -13.900 7.086 1.00 74.24 H new ATOM 0 HA SER A 53 6.290 -16.771 7.527 1.00 61.32 H new ATOM 0 HB2 SER A 53 4.316 -14.738 8.556 1.00 50.23 H new ATOM 0 HB3 SER A 53 4.901 -16.199 9.326 1.00 50.23 H new ATOM 0 HG SER A 53 5.813 -14.285 10.267 1.00 42.31 H new ATOM 822 N ASN A 54 4.678 -15.552 5.214 1.00 20.14 N ATOM 823 CA ASN A 54 3.639 -15.732 4.207 1.00 53.44 C ATOM 824 C ASN A 54 2.252 -15.615 4.831 1.00 61.02 C ATOM 825 O ASN A 54 1.326 -16.331 4.449 1.00 43.44 O ATOM 826 CB ASN A 54 3.790 -17.090 3.523 1.00 5.25 C ATOM 827 CG ASN A 54 3.526 -18.247 4.468 1.00 43.11 C ATOM 828 OD1 ASN A 54 2.384 -18.677 4.634 1.00 31.44 O ATOM 829 ND2 ASN A 54 4.582 -18.754 5.092 1.00 61.32 N ATOM 0 H ASN A 54 5.462 -14.973 4.913 1.00 20.14 H new ATOM 0 HA ASN A 54 3.751 -14.945 3.461 1.00 53.44 H new ATOM 0 HB2 ASN A 54 3.101 -17.148 2.681 1.00 5.25 H new ATOM 0 HB3 ASN A 54 4.798 -17.179 3.117 1.00 5.25 H new ATOM 0 HD21 ASN A 54 4.466 -19.533 5.741 1.00 61.32 H new ATOM 0 HD22 ASN A 54 5.510 -18.365 4.923 1.00 61.32 H new ATOM 835 N SER A 55 2.115 -14.707 5.792 1.00 23.52 N ATOM 836 CA SER A 55 0.842 -14.499 6.472 1.00 3.00 C ATOM 837 C SER A 55 0.461 -13.022 6.472 1.00 4.20 C ATOM 838 O SER A 55 1.304 -12.153 6.249 1.00 43.15 O ATOM 839 CB SER A 55 0.915 -15.019 7.909 1.00 42.42 C ATOM 840 OG SER A 55 0.848 -16.434 7.944 1.00 10.22 O ATOM 0 H SER A 55 2.870 -14.103 6.117 1.00 23.52 H new ATOM 0 HA SER A 55 0.075 -15.054 5.932 1.00 3.00 H new ATOM 0 HB2 SER A 55 1.843 -14.684 8.373 1.00 42.42 H new ATOM 0 HB3 SER A 55 0.096 -14.599 8.493 1.00 42.42 H new ATOM 0 HG SER A 55 1.681 -16.810 7.589 1.00 10.22 H new ATOM 845 N ALA A 56 -0.814 -12.746 6.723 1.00 64.55 N ATOM 846 CA ALA A 56 -1.308 -11.375 6.754 1.00 54.31 C ATOM 847 C ALA A 56 -0.648 -10.580 7.876 1.00 31.20 C ATOM 848 O ALA A 56 -0.678 -9.349 7.880 1.00 70.22 O ATOM 849 CB ALA A 56 -2.820 -11.361 6.915 1.00 44.24 C ATOM 0 H ALA A 56 -1.524 -13.454 6.908 1.00 64.55 H new ATOM 0 HA ALA A 56 -1.051 -10.901 5.807 1.00 54.31 H new ATOM 0 HB1 ALA A 56 -3.174 -10.330 6.936 1.00 44.24 H new ATOM 0 HB2 ALA A 56 -3.280 -11.885 6.077 1.00 44.24 H new ATOM 0 HB3 ALA A 56 -3.091 -11.857 7.847 1.00 44.24 H new ATOM 855 N LYS A 57 -0.051 -11.290 8.827 1.00 23.50 N ATOM 856 CA LYS A 57 0.617 -10.651 9.954 1.00 22.34 C ATOM 857 C LYS A 57 1.773 -9.778 9.478 1.00 70.21 C ATOM 858 O LYS A 57 2.247 -8.909 10.209 1.00 1.24 O ATOM 859 CB LYS A 57 1.133 -11.709 10.934 1.00 63.15 C ATOM 860 CG LYS A 57 2.061 -12.727 10.296 1.00 4.41 C ATOM 861 CD LYS A 57 1.912 -14.096 10.938 1.00 23.42 C ATOM 862 CE LYS A 57 2.318 -14.071 12.404 1.00 50.44 C ATOM 863 NZ LYS A 57 3.440 -15.010 12.685 1.00 71.33 N ATOM 0 H LYS A 57 -0.016 -12.309 8.839 1.00 23.50 H new ATOM 0 HA LYS A 57 -0.109 -10.016 10.462 1.00 22.34 H new ATOM 0 HB2 LYS A 57 1.658 -11.212 11.749 1.00 63.15 H new ATOM 0 HB3 LYS A 57 0.283 -12.230 11.374 1.00 63.15 H new ATOM 0 HG2 LYS A 57 1.846 -12.799 9.230 1.00 4.41 H new ATOM 0 HG3 LYS A 57 3.093 -12.390 10.391 1.00 4.41 H new ATOM 0 HD2 LYS A 57 0.878 -14.429 10.851 1.00 23.42 H new ATOM 0 HD3 LYS A 57 2.526 -14.819 10.402 1.00 23.42 H new ATOM 0 HE2 LYS A 57 2.613 -13.059 12.682 1.00 50.44 H new ATOM 0 HE3 LYS A 57 1.460 -14.334 13.023 1.00 50.44 H new ATOM 0 HZ1 LYS A 57 3.687 -14.964 13.694 1.00 71.33 H new ATOM 0 HZ2 LYS A 57 3.150 -15.979 12.444 1.00 71.33 H new ATOM 0 HZ3 LYS A 57 4.267 -14.744 12.113 1.00 71.33 H new ATOM 873 N GLU A 58 2.220 -10.014 8.248 1.00 64.54 N ATOM 874 CA GLU A 58 3.320 -9.247 7.676 1.00 61.43 C ATOM 875 C GLU A 58 2.843 -7.874 7.213 1.00 52.34 C ATOM 876 O GLU A 58 1.679 -7.699 6.850 1.00 51.31 O ATOM 877 CB GLU A 58 3.942 -10.005 6.502 1.00 2.33 C ATOM 878 CG GLU A 58 5.142 -9.302 5.891 1.00 10.21 C ATOM 879 CD GLU A 58 4.799 -8.572 4.607 1.00 41.40 C ATOM 880 OE1 GLU A 58 3.622 -8.194 4.434 1.00 33.51 O ATOM 881 OE2 GLU A 58 5.710 -8.378 3.774 1.00 51.30 O ATOM 0 H GLU A 58 1.838 -10.729 7.630 1.00 64.54 H new ATOM 0 HA GLU A 58 4.074 -9.108 8.451 1.00 61.43 H new ATOM 0 HB2 GLU A 58 4.245 -10.996 6.840 1.00 2.33 H new ATOM 0 HB3 GLU A 58 3.185 -10.149 5.731 1.00 2.33 H new ATOM 0 HG2 GLU A 58 5.548 -8.592 6.611 1.00 10.21 H new ATOM 0 HG3 GLU A 58 5.924 -10.034 5.690 1.00 10.21 H new ATOM 886 N TRP A 59 3.748 -6.903 7.229 1.00 12.03 N ATOM 887 CA TRP A 59 3.421 -5.545 6.812 1.00 60.01 C ATOM 888 C TRP A 59 4.650 -4.834 6.255 1.00 65.22 C ATOM 889 O TRP A 59 5.771 -5.063 6.711 1.00 74.13 O ATOM 890 CB TRP A 59 2.849 -4.751 7.988 1.00 23.51 C ATOM 891 CG TRP A 59 3.683 -4.845 9.229 1.00 33.51 C ATOM 892 CD1 TRP A 59 4.951 -4.369 9.403 1.00 13.00 C ATOM 893 CD2 TRP A 59 3.308 -5.455 10.470 1.00 33.22 C ATOM 894 NE1 TRP A 59 5.388 -4.645 10.677 1.00 43.33 N ATOM 895 CE2 TRP A 59 4.398 -5.311 11.351 1.00 53.13 C ATOM 896 CE3 TRP A 59 2.159 -6.107 10.923 1.00 41.12 C ATOM 897 CZ2 TRP A 59 4.369 -5.795 12.656 1.00 32.13 C ATOM 898 CZ3 TRP A 59 2.132 -6.588 12.218 1.00 22.32 C ATOM 899 CH2 TRP A 59 3.231 -6.430 13.073 1.00 43.32 C ATOM 0 H TRP A 59 4.715 -7.031 7.527 1.00 12.03 H new ATOM 0 HA TRP A 59 2.671 -5.606 6.024 1.00 60.01 H new ATOM 0 HB2 TRP A 59 2.756 -3.704 7.699 1.00 23.51 H new ATOM 0 HB3 TRP A 59 1.844 -5.112 8.206 1.00 23.51 H new ATOM 0 HD1 TRP A 59 5.527 -3.851 8.650 1.00 13.00 H new ATOM 0 HE1 TRP A 59 6.300 -4.395 11.058 1.00 43.33 H new ATOM 0 HE3 TRP A 59 1.306 -6.233 10.272 1.00 41.12 H new ATOM 0 HZ2 TRP A 59 5.215 -5.674 13.316 1.00 32.13 H new ATOM 0 HZ3 TRP A 59 1.249 -7.095 12.578 1.00 22.32 H new ATOM 0 HH2 TRP A 59 3.179 -6.817 14.080 1.00 43.32 H new ATOM 909 N LEU A 60 4.432 -3.974 5.266 1.00 4.15 N ATOM 910 CA LEU A 60 5.524 -3.230 4.646 1.00 61.10 C ATOM 911 C LEU A 60 5.359 -1.731 4.874 1.00 24.11 C ATOM 912 O LEU A 60 4.278 -1.179 4.670 1.00 73.41 O ATOM 913 CB LEU A 60 5.582 -3.527 3.147 1.00 44.43 C ATOM 914 CG LEU A 60 6.505 -2.630 2.321 1.00 11.31 C ATOM 915 CD1 LEU A 60 7.629 -3.447 1.701 1.00 63.13 C ATOM 916 CD2 LEU A 60 5.715 -1.901 1.243 1.00 12.04 C ATOM 0 H LEU A 60 3.511 -3.775 4.876 1.00 4.15 H new ATOM 0 HA LEU A 60 6.458 -3.548 5.109 1.00 61.10 H new ATOM 0 HB2 LEU A 60 5.899 -4.561 3.014 1.00 44.43 H new ATOM 0 HB3 LEU A 60 4.573 -3.448 2.742 1.00 44.43 H new ATOM 0 HG LEU A 60 6.947 -1.887 2.984 1.00 11.31 H new ATOM 0 HD11 LEU A 60 8.276 -2.792 1.117 1.00 63.13 H new ATOM 0 HD12 LEU A 60 8.212 -3.922 2.490 1.00 63.13 H new ATOM 0 HD13 LEU A 60 7.206 -4.213 1.051 1.00 63.13 H new ATOM 0 HD21 LEU A 60 6.388 -1.267 0.665 1.00 12.04 H new ATOM 0 HD22 LEU A 60 5.244 -2.629 0.582 1.00 12.04 H new ATOM 0 HD23 LEU A 60 4.947 -1.284 1.709 1.00 12.04 H new ATOM 927 N GLN A 61 6.438 -1.080 5.294 1.00 53.15 N ATOM 928 CA GLN A 61 6.413 0.357 5.547 1.00 64.14 C ATOM 929 C GLN A 61 7.442 1.080 4.686 1.00 11.44 C ATOM 930 O GLN A 61 8.522 0.552 4.416 1.00 71.01 O ATOM 931 CB GLN A 61 6.678 0.640 7.026 1.00 23.43 C ATOM 932 CG GLN A 61 8.153 0.636 7.391 1.00 75.31 C ATOM 933 CD GLN A 61 8.420 -0.013 8.735 1.00 74.03 C ATOM 934 OE1 GLN A 61 8.614 0.672 9.741 1.00 12.24 O ATOM 935 NE2 GLN A 61 8.431 -1.340 8.761 1.00 64.32 N ATOM 0 H GLN A 61 7.340 -1.523 5.466 1.00 53.15 H new ATOM 0 HA GLN A 61 5.423 0.729 5.285 1.00 64.14 H new ATOM 0 HB2 GLN A 61 6.251 1.609 7.284 1.00 23.43 H new ATOM 0 HB3 GLN A 61 6.161 -0.107 7.629 1.00 23.43 H new ATOM 0 HG2 GLN A 61 8.713 0.108 6.619 1.00 75.31 H new ATOM 0 HG3 GLN A 61 8.522 1.661 7.407 1.00 75.31 H new ATOM 0 HE21 GLN A 61 8.266 -1.868 7.904 1.00 64.32 H new ATOM 0 HE22 GLN A 61 8.605 -1.831 9.638 1.00 64.32 H new ATOM 942 N VAL A 62 7.103 2.291 4.256 1.00 31.02 N ATOM 943 CA VAL A 62 7.999 3.087 3.426 1.00 12.42 C ATOM 944 C VAL A 62 8.202 4.479 4.015 1.00 44.44 C ATOM 945 O VAL A 62 7.242 5.222 4.221 1.00 15.55 O ATOM 946 CB VAL A 62 7.461 3.223 1.989 1.00 22.43 C ATOM 947 CG1 VAL A 62 8.529 3.796 1.071 1.00 73.21 C ATOM 948 CG2 VAL A 62 6.971 1.877 1.475 1.00 73.13 C ATOM 0 H VAL A 62 6.214 2.743 4.469 1.00 31.02 H new ATOM 0 HA VAL A 62 8.955 2.564 3.400 1.00 12.42 H new ATOM 0 HB VAL A 62 6.617 3.912 1.999 1.00 22.43 H new ATOM 0 HG11 VAL A 62 8.131 3.885 0.060 1.00 73.21 H new ATOM 0 HG12 VAL A 62 8.828 4.780 1.431 1.00 73.21 H new ATOM 0 HG13 VAL A 62 9.395 3.134 1.063 1.00 73.21 H new ATOM 0 HG21 VAL A 62 6.594 1.991 0.459 1.00 73.13 H new ATOM 0 HG22 VAL A 62 7.796 1.164 1.479 1.00 73.13 H new ATOM 0 HG23 VAL A 62 6.172 1.511 2.119 1.00 73.13 H new ATOM 958 N ASP A 63 9.456 4.825 4.282 1.00 21.51 N ATOM 959 CA ASP A 63 9.786 6.128 4.846 1.00 41.21 C ATOM 960 C ASP A 63 10.768 6.876 3.949 1.00 24.23 C ATOM 961 O ASP A 63 11.843 6.365 3.627 1.00 73.13 O ATOM 962 CB ASP A 63 10.377 5.968 6.247 1.00 21.43 C ATOM 963 CG ASP A 63 11.756 5.337 6.226 1.00 51.13 C ATOM 964 OD1 ASP A 63 11.862 4.157 5.833 1.00 4.43 O ATOM 965 OD2 ASP A 63 12.729 6.025 6.602 1.00 70.23 O ATOM 0 H ASP A 63 10.261 4.221 4.117 1.00 21.51 H new ATOM 0 HA ASP A 63 8.867 6.710 4.913 1.00 41.21 H new ATOM 0 HB2 ASP A 63 10.435 6.945 6.727 1.00 21.43 H new ATOM 0 HB3 ASP A 63 9.709 5.355 6.852 1.00 21.43 H new ATOM 969 N LEU A 64 10.393 8.085 3.548 1.00 62.14 N ATOM 970 CA LEU A 64 11.240 8.902 2.688 1.00 42.53 C ATOM 971 C LEU A 64 11.603 10.217 3.370 1.00 54.43 C ATOM 972 O LEU A 64 12.667 10.783 3.123 1.00 54.35 O ATOM 973 CB LEU A 64 10.533 9.182 1.360 1.00 0.22 C ATOM 974 CG LEU A 64 9.005 9.188 1.401 1.00 32.35 C ATOM 975 CD1 LEU A 64 8.445 10.107 0.327 1.00 21.22 C ATOM 976 CD2 LEU A 64 8.462 7.776 1.234 1.00 22.41 C ATOM 0 H LEU A 64 9.507 8.521 3.805 1.00 62.14 H new ATOM 0 HA LEU A 64 12.159 8.349 2.495 1.00 42.53 H new ATOM 0 HB2 LEU A 64 10.870 10.150 0.989 1.00 0.22 H new ATOM 0 HB3 LEU A 64 10.854 8.433 0.636 1.00 0.22 H new ATOM 0 HG LEU A 64 8.688 9.565 2.373 1.00 32.35 H new ATOM 0 HD11 LEU A 64 7.356 10.098 0.372 1.00 21.22 H new ATOM 0 HD12 LEU A 64 8.807 11.122 0.492 1.00 21.22 H new ATOM 0 HD13 LEU A 64 8.770 9.761 -0.654 1.00 21.22 H new ATOM 0 HD21 LEU A 64 7.373 7.799 1.266 1.00 22.41 H new ATOM 0 HD22 LEU A 64 8.789 7.371 0.276 1.00 22.41 H new ATOM 0 HD23 LEU A 64 8.835 7.145 2.041 1.00 22.41 H new ATOM 987 N GLY A 65 10.711 10.697 4.231 1.00 33.41 N ATOM 988 CA GLY A 65 10.956 11.940 4.939 1.00 22.02 C ATOM 989 C GLY A 65 11.255 13.092 4.000 1.00 62.20 C ATOM 990 O GLY A 65 11.884 14.075 4.391 1.00 11.14 O ATOM 0 H GLY A 65 9.822 10.247 4.451 1.00 33.41 H new ATOM 0 HA2 GLY A 65 10.085 12.187 5.546 1.00 22.02 H new ATOM 0 HA3 GLY A 65 11.794 11.806 5.623 1.00 22.02 H new ATOM 994 N THR A 66 10.804 12.971 2.755 1.00 21.01 N ATOM 995 CA THR A 66 11.029 14.008 1.756 1.00 60.43 C ATOM 996 C THR A 66 9.786 14.872 1.572 1.00 62.02 C ATOM 997 O THR A 66 9.826 15.893 0.886 1.00 14.04 O ATOM 998 CB THR A 66 11.426 13.403 0.397 1.00 54.00 C ATOM 999 OG1 THR A 66 11.881 14.435 -0.485 1.00 31.02 O ATOM 1000 CG2 THR A 66 10.250 12.672 -0.234 1.00 5.12 C ATOM 0 H THR A 66 10.280 12.164 2.415 1.00 21.01 H new ATOM 0 HA THR A 66 11.848 14.627 2.122 1.00 60.43 H new ATOM 0 HB THR A 66 12.231 12.688 0.564 1.00 54.00 H new ATOM 0 HG1 THR A 66 11.405 15.268 -0.287 1.00 31.02 H new ATOM 0 HG21 THR A 66 10.554 12.253 -1.193 1.00 5.12 H new ATOM 0 HG22 THR A 66 9.925 11.868 0.426 1.00 5.12 H new ATOM 0 HG23 THR A 66 9.428 13.371 -0.388 1.00 5.12 H new ATOM 1008 N GLN A 67 8.684 14.455 2.187 1.00 20.21 N ATOM 1009 CA GLN A 67 7.430 15.192 2.090 1.00 4.10 C ATOM 1010 C GLN A 67 7.077 15.475 0.633 1.00 54.21 C ATOM 1011 O GLN A 67 7.217 16.603 0.159 1.00 2.14 O ATOM 1012 CB GLN A 67 7.524 16.505 2.869 1.00 61.44 C ATOM 1013 CG GLN A 67 6.182 17.006 3.381 1.00 20.33 C ATOM 1014 CD GLN A 67 6.293 17.706 4.720 1.00 13.41 C ATOM 1015 OE1 GLN A 67 7.117 18.604 4.897 1.00 14.22 O ATOM 1016 NE2 GLN A 67 5.463 17.300 5.673 1.00 62.05 N ATOM 0 H GLN A 67 8.634 13.611 2.758 1.00 20.21 H new ATOM 0 HA GLN A 67 6.641 14.577 2.523 1.00 4.10 H new ATOM 0 HB2 GLN A 67 8.198 16.369 3.715 1.00 61.44 H new ATOM 0 HB3 GLN A 67 7.967 17.267 2.228 1.00 61.44 H new ATOM 0 HG2 GLN A 67 5.752 17.692 2.651 1.00 20.33 H new ATOM 0 HG3 GLN A 67 5.495 16.165 3.471 1.00 20.33 H new ATOM 0 HE21 GLN A 67 4.796 16.552 5.484 1.00 62.05 H new ATOM 0 HE22 GLN A 67 5.493 17.736 6.595 1.00 62.05 H new ATOM 1023 N ARG A 68 6.619 14.445 -0.071 1.00 1.34 N ATOM 1024 CA ARG A 68 6.248 14.583 -1.474 1.00 61.13 C ATOM 1025 C ARG A 68 4.754 14.337 -1.667 1.00 5.14 C ATOM 1026 O ARG A 68 4.147 13.551 -0.942 1.00 21.14 O ATOM 1027 CB ARG A 68 7.053 13.608 -2.335 1.00 40.32 C ATOM 1028 CG ARG A 68 8.320 14.213 -2.917 1.00 54.24 C ATOM 1029 CD ARG A 68 8.002 15.258 -3.976 1.00 14.24 C ATOM 1030 NE ARG A 68 9.174 16.059 -4.323 1.00 31.32 N ATOM 1031 CZ ARG A 68 9.107 17.217 -4.968 1.00 2.44 C ATOM 1032 NH1 ARG A 68 7.932 17.709 -5.336 1.00 23.21 N ATOM 1033 NH2 ARG A 68 10.218 17.887 -5.248 1.00 3.30 N ATOM 0 H ARG A 68 6.496 13.506 0.307 1.00 1.34 H new ATOM 0 HA ARG A 68 6.474 15.603 -1.786 1.00 61.13 H new ATOM 0 HB2 ARG A 68 7.319 12.739 -1.733 1.00 40.32 H new ATOM 0 HB3 ARG A 68 6.423 13.251 -3.150 1.00 40.32 H new ATOM 0 HG2 ARG A 68 8.907 14.668 -2.119 1.00 54.24 H new ATOM 0 HG3 ARG A 68 8.933 13.425 -3.354 1.00 54.24 H new ATOM 0 HD2 ARG A 68 7.623 14.764 -4.870 1.00 14.24 H new ATOM 0 HD3 ARG A 68 7.210 15.913 -3.613 1.00 14.24 H new ATOM 0 HE ARG A 68 10.094 15.709 -4.055 1.00 31.32 H new ATOM 0 HH11 ARG A 68 7.076 17.197 -5.124 1.00 23.21 H new ATOM 0 HH12 ARG A 68 7.884 18.599 -5.832 1.00 23.21 H new ATOM 0 HH21 ARG A 68 11.124 17.512 -4.967 1.00 3.30 H new ATOM 0 HH22 ARG A 68 10.166 18.777 -5.744 1.00 3.30 H new ATOM 1044 N GLN A 69 4.171 15.015 -2.651 1.00 25.41 N ATOM 1045 CA GLN A 69 2.749 14.869 -2.938 1.00 52.42 C ATOM 1046 C GLN A 69 2.510 13.762 -3.960 1.00 4.44 C ATOM 1047 O GLN A 69 2.971 13.844 -5.099 1.00 23.10 O ATOM 1048 CB GLN A 69 2.174 16.190 -3.456 1.00 23.43 C ATOM 1049 CG GLN A 69 0.881 16.025 -4.238 1.00 64.11 C ATOM 1050 CD GLN A 69 0.106 17.322 -4.364 1.00 24.20 C ATOM 1051 OE1 GLN A 69 -1.004 17.447 -3.846 1.00 40.32 O ATOM 1052 NE2 GLN A 69 0.688 18.294 -5.053 1.00 53.45 N ATOM 0 H GLN A 69 4.660 15.669 -3.261 1.00 25.41 H new ATOM 0 HA GLN A 69 2.243 14.598 -2.011 1.00 52.42 H new ATOM 0 HB2 GLN A 69 1.996 16.855 -2.611 1.00 23.43 H new ATOM 0 HB3 GLN A 69 2.915 16.674 -4.092 1.00 23.43 H new ATOM 0 HG2 GLN A 69 1.109 15.644 -5.234 1.00 64.11 H new ATOM 0 HG3 GLN A 69 0.256 15.279 -3.747 1.00 64.11 H new ATOM 0 HE21 GLN A 69 1.609 18.146 -5.465 1.00 53.45 H new ATOM 0 HE22 GLN A 69 0.214 19.190 -5.171 1.00 53.45 H new ATOM 1059 N VAL A 70 1.788 12.726 -3.546 1.00 33.55 N ATOM 1060 CA VAL A 70 1.488 11.602 -4.424 1.00 14.13 C ATOM 1061 C VAL A 70 0.264 11.890 -5.286 1.00 30.11 C ATOM 1062 O VAL A 70 -0.651 12.602 -4.868 1.00 10.21 O ATOM 1063 CB VAL A 70 1.245 10.311 -3.621 1.00 72.25 C ATOM 1064 CG1 VAL A 70 2.432 10.010 -2.720 1.00 21.40 C ATOM 1065 CG2 VAL A 70 -0.037 10.424 -2.808 1.00 3.04 C ATOM 0 H VAL A 70 1.400 12.642 -2.607 1.00 33.55 H new ATOM 0 HA VAL A 70 2.357 11.462 -5.067 1.00 14.13 H new ATOM 0 HB VAL A 70 1.133 9.484 -4.322 1.00 72.25 H new ATOM 0 HG11 VAL A 70 2.241 9.094 -2.161 1.00 21.40 H new ATOM 0 HG12 VAL A 70 3.328 9.884 -3.328 1.00 21.40 H new ATOM 0 HG13 VAL A 70 2.579 10.836 -2.024 1.00 21.40 H new ATOM 0 HG21 VAL A 70 -0.194 9.503 -2.246 1.00 3.04 H new ATOM 0 HG22 VAL A 70 0.044 11.262 -2.116 1.00 3.04 H new ATOM 0 HG23 VAL A 70 -0.880 10.588 -3.479 1.00 3.04 H new ATOM 1075 N THR A 71 0.252 11.332 -6.492 1.00 54.35 N ATOM 1076 CA THR A 71 -0.859 11.530 -7.414 1.00 24.13 C ATOM 1077 C THR A 71 -1.134 10.266 -8.222 1.00 42.13 C ATOM 1078 O THR A 71 -1.586 10.334 -9.364 1.00 52.25 O ATOM 1079 CB THR A 71 -0.585 12.695 -8.383 1.00 73.24 C ATOM 1080 OG1 THR A 71 0.419 13.559 -7.839 1.00 65.23 O ATOM 1081 CG2 THR A 71 -1.857 13.490 -8.646 1.00 11.35 C ATOM 0 H THR A 71 0.999 10.739 -6.853 1.00 54.35 H new ATOM 0 HA THR A 71 -1.733 11.769 -6.809 1.00 24.13 H new ATOM 0 HB THR A 71 -0.233 12.279 -9.327 1.00 73.24 H new ATOM 0 HG1 THR A 71 0.012 14.412 -7.581 1.00 65.23 H new ATOM 0 HG21 THR A 71 -1.639 14.308 -9.333 1.00 11.35 H new ATOM 0 HG22 THR A 71 -2.610 12.836 -9.087 1.00 11.35 H new ATOM 0 HG23 THR A 71 -2.233 13.896 -7.707 1.00 11.35 H new ATOM 1089 N GLY A 72 -0.858 9.113 -7.621 1.00 11.41 N ATOM 1090 CA GLY A 72 -1.082 7.850 -8.301 1.00 31.01 C ATOM 1091 C GLY A 72 -0.412 6.687 -7.597 1.00 22.31 C ATOM 1092 O GLY A 72 0.419 6.884 -6.710 1.00 23.32 O ATOM 0 H GLY A 72 -0.483 9.030 -6.676 1.00 11.41 H new ATOM 0 HA2 GLY A 72 -2.154 7.662 -8.368 1.00 31.01 H new ATOM 0 HA3 GLY A 72 -0.706 7.919 -9.322 1.00 31.01 H new ATOM 1096 N ILE A 73 -0.776 5.471 -7.991 1.00 22.15 N ATOM 1097 CA ILE A 73 -0.205 4.272 -7.391 1.00 5.15 C ATOM 1098 C ILE A 73 -0.278 3.089 -8.351 1.00 3.14 C ATOM 1099 O ILE A 73 -1.196 2.993 -9.165 1.00 25.11 O ATOM 1100 CB ILE A 73 -0.924 3.900 -6.081 1.00 64.03 C ATOM 1101 CG1 ILE A 73 -2.439 4.049 -6.245 1.00 23.45 C ATOM 1102 CG2 ILE A 73 -0.422 4.768 -4.936 1.00 45.43 C ATOM 1103 CD1 ILE A 73 -3.222 2.869 -5.714 1.00 40.25 C ATOM 0 H ILE A 73 -1.463 5.291 -8.723 1.00 22.15 H new ATOM 0 HA ILE A 73 0.839 4.496 -7.172 1.00 5.15 H new ATOM 0 HB ILE A 73 -0.703 2.859 -5.846 1.00 64.03 H new ATOM 0 HG12 ILE A 73 -2.765 4.953 -5.730 1.00 23.45 H new ATOM 0 HG13 ILE A 73 -2.671 4.183 -7.302 1.00 23.45 H new ATOM 0 HG21 ILE A 73 -0.940 4.493 -4.017 1.00 45.43 H new ATOM 0 HG22 ILE A 73 0.650 4.617 -4.808 1.00 45.43 H new ATOM 0 HG23 ILE A 73 -0.616 5.816 -5.162 1.00 45.43 H new ATOM 0 HD11 ILE A 73 -4.288 3.043 -5.863 1.00 40.25 H new ATOM 0 HD12 ILE A 73 -2.924 1.965 -6.246 1.00 40.25 H new ATOM 0 HD13 ILE A 73 -3.020 2.747 -4.650 1.00 40.25 H new ATOM 1114 N ILE A 74 0.694 2.189 -8.248 1.00 33.35 N ATOM 1115 CA ILE A 74 0.738 1.011 -9.104 1.00 23.14 C ATOM 1116 C ILE A 74 1.378 -0.171 -8.381 1.00 44.44 C ATOM 1117 O ILE A 74 2.386 -0.019 -7.690 1.00 70.14 O ATOM 1118 CB ILE A 74 1.519 1.288 -10.403 1.00 32.44 C ATOM 1119 CG1 ILE A 74 1.218 0.209 -11.445 1.00 4.10 C ATOM 1120 CG2 ILE A 74 3.012 1.355 -10.119 1.00 52.14 C ATOM 1121 CD1 ILE A 74 0.697 0.761 -12.753 1.00 23.20 C ATOM 0 H ILE A 74 1.462 2.254 -7.580 1.00 33.35 H new ATOM 0 HA ILE A 74 -0.294 0.765 -9.355 1.00 23.14 H new ATOM 0 HB ILE A 74 1.201 2.251 -10.802 1.00 32.44 H new ATOM 0 HG12 ILE A 74 2.126 -0.362 -11.637 1.00 4.10 H new ATOM 0 HG13 ILE A 74 0.485 -0.486 -11.035 1.00 4.10 H new ATOM 0 HG21 ILE A 74 3.550 1.551 -11.046 1.00 52.14 H new ATOM 0 HG22 ILE A 74 3.211 2.156 -9.407 1.00 52.14 H new ATOM 0 HG23 ILE A 74 3.346 0.406 -9.700 1.00 52.14 H new ATOM 0 HD11 ILE A 74 0.505 -0.060 -13.444 1.00 23.20 H new ATOM 0 HD12 ILE A 74 -0.229 1.308 -12.574 1.00 23.20 H new ATOM 0 HD13 ILE A 74 1.438 1.433 -13.185 1.00 23.20 H new ATOM 1132 N THR A 75 0.787 -1.350 -8.549 1.00 71.40 N ATOM 1133 CA THR A 75 1.299 -2.558 -7.914 1.00 44.42 C ATOM 1134 C THR A 75 1.455 -3.687 -8.926 1.00 61.45 C ATOM 1135 O THR A 75 0.857 -3.655 -10.001 1.00 41.22 O ATOM 1136 CB THR A 75 0.375 -3.029 -6.775 1.00 53.32 C ATOM 1137 OG1 THR A 75 0.937 -4.177 -6.131 1.00 51.11 O ATOM 1138 CG2 THR A 75 -1.010 -3.366 -7.307 1.00 23.24 C ATOM 0 H THR A 75 -0.046 -1.494 -9.119 1.00 71.40 H new ATOM 0 HA THR A 75 2.276 -2.307 -7.500 1.00 44.42 H new ATOM 0 HB THR A 75 0.282 -2.218 -6.053 1.00 53.32 H new ATOM 0 HG1 THR A 75 1.903 -4.051 -6.022 1.00 51.11 H new ATOM 0 HG21 THR A 75 -1.645 -3.696 -6.485 1.00 23.24 H new ATOM 0 HG22 THR A 75 -1.447 -2.481 -7.770 1.00 23.24 H new ATOM 0 HG23 THR A 75 -0.932 -4.162 -8.047 1.00 23.24 H new ATOM 1146 N GLN A 76 2.261 -4.683 -8.575 1.00 13.34 N ATOM 1147 CA GLN A 76 2.496 -5.822 -9.454 1.00 65.13 C ATOM 1148 C GLN A 76 2.901 -7.055 -8.652 1.00 40.31 C ATOM 1149 O GLN A 76 3.647 -6.957 -7.679 1.00 74.02 O ATOM 1150 CB GLN A 76 3.579 -5.488 -10.481 1.00 2.32 C ATOM 1151 CG GLN A 76 3.232 -5.923 -11.896 1.00 12.22 C ATOM 1152 CD GLN A 76 4.453 -6.328 -12.698 1.00 54.55 C ATOM 1153 OE1 GLN A 76 4.732 -5.760 -13.754 1.00 44.15 O ATOM 1154 NE2 GLN A 76 5.190 -7.312 -12.199 1.00 62.41 N ATOM 0 H GLN A 76 2.763 -4.724 -7.688 1.00 13.34 H new ATOM 0 HA GLN A 76 1.566 -6.041 -9.978 1.00 65.13 H new ATOM 0 HB2 GLN A 76 3.755 -4.412 -10.474 1.00 2.32 H new ATOM 0 HB3 GLN A 76 4.512 -5.966 -10.181 1.00 2.32 H new ATOM 0 HG2 GLN A 76 2.535 -6.760 -11.854 1.00 12.22 H new ATOM 0 HG3 GLN A 76 2.720 -5.108 -12.407 1.00 12.22 H new ATOM 0 HE21 GLN A 76 4.922 -7.755 -11.320 1.00 62.41 H new ATOM 0 HE22 GLN A 76 6.025 -7.625 -12.694 1.00 62.41 H new ATOM 1161 N GLY A 77 2.405 -8.216 -9.068 1.00 40.45 N ATOM 1162 CA GLY A 77 2.727 -9.450 -8.377 1.00 44.13 C ATOM 1163 C GLY A 77 3.990 -10.099 -8.907 1.00 71.42 C ATOM 1164 O GLY A 77 4.622 -9.583 -9.828 1.00 75.05 O ATOM 0 H GLY A 77 1.786 -8.324 -9.871 1.00 40.45 H new ATOM 0 HA2 GLY A 77 2.846 -9.246 -7.313 1.00 44.13 H new ATOM 0 HA3 GLY A 77 1.895 -10.147 -8.477 1.00 44.13 H new ATOM 1168 N ALA A 78 4.361 -11.233 -8.322 1.00 23.52 N ATOM 1169 CA ALA A 78 5.557 -11.954 -8.741 1.00 75.24 C ATOM 1170 C ALA A 78 5.238 -13.410 -9.060 1.00 74.23 C ATOM 1171 O ALA A 78 4.086 -13.837 -8.972 1.00 15.12 O ATOM 1172 CB ALA A 78 6.628 -11.870 -7.663 1.00 54.24 C ATOM 0 H ALA A 78 3.850 -11.673 -7.556 1.00 23.52 H new ATOM 0 HA ALA A 78 5.934 -11.485 -9.650 1.00 75.24 H new ATOM 0 HB1 ALA A 78 7.515 -12.413 -7.989 1.00 54.24 H new ATOM 0 HB2 ALA A 78 6.885 -10.826 -7.487 1.00 54.24 H new ATOM 0 HB3 ALA A 78 6.251 -12.312 -6.740 1.00 54.24 H new ATOM 1178 N ARG A 79 6.264 -14.168 -9.431 1.00 44.03 N ATOM 1179 CA ARG A 79 6.091 -15.577 -9.765 1.00 11.41 C ATOM 1180 C ARG A 79 7.194 -16.423 -9.136 1.00 22.05 C ATOM 1181 O ARG A 79 8.299 -15.939 -8.890 1.00 2.45 O ATOM 1182 CB ARG A 79 6.091 -15.766 -11.283 1.00 24.54 C ATOM 1183 CG ARG A 79 7.422 -15.437 -11.939 1.00 31.32 C ATOM 1184 CD ARG A 79 7.286 -15.326 -13.449 1.00 11.44 C ATOM 1185 NE ARG A 79 8.399 -14.589 -14.045 1.00 64.24 N ATOM 1186 CZ ARG A 79 9.607 -15.107 -14.231 1.00 44.32 C ATOM 1187 NH1 ARG A 79 9.859 -16.358 -13.871 1.00 12.33 N ATOM 1188 NH2 ARG A 79 10.567 -14.374 -14.781 1.00 72.21 N ATOM 0 H ARG A 79 7.224 -13.831 -9.508 1.00 44.03 H new ATOM 0 HA ARG A 79 5.132 -15.905 -9.365 1.00 11.41 H new ATOM 0 HB2 ARG A 79 5.829 -16.799 -11.512 1.00 24.54 H new ATOM 0 HB3 ARG A 79 5.316 -15.136 -11.719 1.00 24.54 H new ATOM 0 HG2 ARG A 79 7.805 -14.499 -11.537 1.00 31.32 H new ATOM 0 HG3 ARG A 79 8.151 -16.210 -11.694 1.00 31.32 H new ATOM 0 HD2 ARG A 79 7.238 -16.325 -13.883 1.00 11.44 H new ATOM 0 HD3 ARG A 79 6.348 -14.827 -13.693 1.00 11.44 H new ATOM 0 HE ARG A 79 8.239 -13.624 -14.334 1.00 64.24 H new ATOM 0 HH11 ARG A 79 9.124 -16.925 -13.450 1.00 12.33 H new ATOM 0 HH12 ARG A 79 10.788 -16.753 -14.015 1.00 12.33 H new ATOM 0 HH21 ARG A 79 10.377 -13.412 -15.061 1.00 72.21 H new ATOM 0 HH22 ARG A 79 11.495 -14.773 -14.924 1.00 72.21 H new ATOM 1199 N ASP A 80 6.886 -17.690 -8.878 1.00 14.44 N ATOM 1200 CA ASP A 80 7.851 -18.604 -8.279 1.00 25.54 C ATOM 1201 C ASP A 80 8.283 -19.671 -9.279 1.00 25.34 C ATOM 1202 O ASP A 80 8.211 -20.868 -8.996 1.00 44.20 O ATOM 1203 CB ASP A 80 7.255 -19.265 -7.035 1.00 51.11 C ATOM 1204 CG ASP A 80 8.287 -20.040 -6.239 1.00 53.55 C ATOM 1205 OD1 ASP A 80 9.433 -20.168 -6.720 1.00 22.02 O ATOM 1206 OD2 ASP A 80 7.950 -20.516 -5.136 1.00 23.31 O ATOM 0 H ASP A 80 5.976 -18.107 -9.074 1.00 14.44 H new ATOM 0 HA ASP A 80 8.729 -18.027 -7.989 1.00 25.54 H new ATOM 0 HB2 ASP A 80 6.810 -18.500 -6.399 1.00 51.11 H new ATOM 0 HB3 ASP A 80 6.451 -19.938 -7.335 1.00 51.11 H new ATOM 1210 N PHE A 81 8.729 -19.232 -10.451 1.00 53.44 N ATOM 1211 CA PHE A 81 9.170 -20.150 -11.495 1.00 74.32 C ATOM 1212 C PHE A 81 8.117 -21.221 -11.757 1.00 21.42 C ATOM 1213 O PHE A 81 8.206 -22.335 -11.240 1.00 73.33 O ATOM 1214 CB PHE A 81 10.495 -20.805 -11.101 1.00 21.02 C ATOM 1215 CG PHE A 81 11.529 -19.827 -10.621 1.00 72.21 C ATOM 1216 CD1 PHE A 81 12.359 -19.179 -11.521 1.00 61.30 C ATOM 1217 CD2 PHE A 81 11.669 -19.556 -9.269 1.00 11.03 C ATOM 1218 CE1 PHE A 81 13.311 -18.278 -11.081 1.00 23.15 C ATOM 1219 CE2 PHE A 81 12.620 -18.656 -8.824 1.00 35.52 C ATOM 1220 CZ PHE A 81 13.441 -18.016 -9.731 1.00 32.14 C ATOM 0 H PHE A 81 8.795 -18.246 -10.702 1.00 53.44 H new ATOM 0 HA PHE A 81 9.315 -19.577 -12.411 1.00 74.32 H new ATOM 0 HB2 PHE A 81 10.309 -21.539 -10.317 1.00 21.02 H new ATOM 0 HB3 PHE A 81 10.891 -21.349 -11.959 1.00 21.02 H new ATOM 0 HD1 PHE A 81 12.261 -19.380 -12.578 1.00 61.30 H new ATOM 0 HD2 PHE A 81 11.029 -20.053 -8.555 1.00 11.03 H new ATOM 0 HE1 PHE A 81 13.953 -17.779 -11.792 1.00 23.15 H new ATOM 0 HE2 PHE A 81 12.720 -18.454 -7.768 1.00 35.52 H new ATOM 0 HZ PHE A 81 14.183 -17.312 -9.386 1.00 32.14 H new ATOM 1229 N GLY A 82 7.118 -20.877 -12.563 1.00 43.52 N ATOM 1230 CA GLY A 82 6.061 -21.820 -12.880 1.00 51.14 C ATOM 1231 C GLY A 82 4.750 -21.472 -12.202 1.00 14.11 C ATOM 1232 O GLY A 82 3.713 -21.363 -12.857 1.00 22.14 O ATOM 0 H GLY A 82 7.021 -19.962 -13.003 1.00 43.52 H new ATOM 0 HA2 GLY A 82 5.913 -21.845 -13.960 1.00 51.14 H new ATOM 0 HA3 GLY A 82 6.369 -22.821 -12.577 1.00 51.14 H new ATOM 1236 N HIS A 83 4.796 -21.297 -10.885 1.00 51.32 N ATOM 1237 CA HIS A 83 3.603 -20.959 -10.117 1.00 2.01 C ATOM 1238 C HIS A 83 3.569 -19.469 -9.792 1.00 12.50 C ATOM 1239 O HIS A 83 4.458 -18.951 -9.115 1.00 23.40 O ATOM 1240 CB HIS A 83 3.555 -21.776 -8.825 1.00 71.45 C ATOM 1241 CG HIS A 83 2.337 -22.639 -8.707 1.00 62.15 C ATOM 1242 ND1 HIS A 83 2.335 -23.853 -8.055 1.00 31.51 N ATOM 1243 CD2 HIS A 83 1.075 -22.456 -9.162 1.00 71.41 C ATOM 1244 CE1 HIS A 83 1.125 -24.382 -8.115 1.00 73.11 C ATOM 1245 NE2 HIS A 83 0.341 -23.553 -8.780 1.00 43.42 N ATOM 0 H HIS A 83 5.646 -21.384 -10.328 1.00 51.32 H new ATOM 0 HA HIS A 83 2.730 -21.200 -10.724 1.00 2.01 H new ATOM 0 HB2 HIS A 83 4.443 -22.406 -8.770 1.00 71.45 H new ATOM 0 HB3 HIS A 83 3.593 -21.097 -7.974 1.00 71.45 H new ATOM 0 HD2 HIS A 83 0.713 -21.606 -9.721 1.00 71.41 H new ATOM 0 HE1 HIS A 83 0.828 -25.330 -7.692 1.00 73.11 H new ATOM 0 HE2 HIS A 83 -0.648 -23.703 -8.978 1.00 43.42 H new ATOM 1252 N ILE A 84 2.539 -18.785 -10.280 1.00 2.35 N ATOM 1253 CA ILE A 84 2.390 -17.356 -10.042 1.00 54.12 C ATOM 1254 C ILE A 84 1.837 -17.085 -8.646 1.00 32.11 C ATOM 1255 O ILE A 84 0.864 -17.708 -8.223 1.00 43.42 O ATOM 1256 CB ILE A 84 1.463 -16.704 -11.084 1.00 72.52 C ATOM 1257 CG1 ILE A 84 2.028 -16.895 -12.492 1.00 2.42 C ATOM 1258 CG2 ILE A 84 1.276 -15.225 -10.778 1.00 34.03 C ATOM 1259 CD1 ILE A 84 1.090 -17.624 -13.428 1.00 73.40 C ATOM 0 H ILE A 84 1.796 -19.199 -10.843 1.00 2.35 H new ATOM 0 HA ILE A 84 3.384 -16.918 -10.128 1.00 54.12 H new ATOM 0 HB ILE A 84 0.489 -17.190 -11.035 1.00 72.52 H new ATOM 0 HG12 ILE A 84 2.264 -15.919 -12.915 1.00 2.42 H new ATOM 0 HG13 ILE A 84 2.965 -17.448 -12.426 1.00 2.42 H new ATOM 0 HG21 ILE A 84 0.618 -14.779 -11.524 1.00 34.03 H new ATOM 0 HG22 ILE A 84 0.832 -15.111 -9.789 1.00 34.03 H new ATOM 0 HG23 ILE A 84 2.243 -14.723 -10.802 1.00 34.03 H new ATOM 0 HD11 ILE A 84 1.558 -17.723 -14.408 1.00 73.40 H new ATOM 0 HD12 ILE A 84 0.874 -18.614 -13.028 1.00 73.40 H new ATOM 0 HD13 ILE A 84 0.162 -17.061 -13.524 1.00 73.40 H new ATOM 1270 N GLN A 85 2.464 -16.152 -7.937 1.00 40.42 N ATOM 1271 CA GLN A 85 2.033 -15.798 -6.590 1.00 24.13 C ATOM 1272 C GLN A 85 1.740 -14.306 -6.486 1.00 54.55 C ATOM 1273 O GLN A 85 2.342 -13.494 -7.190 1.00 52.04 O ATOM 1274 CB GLN A 85 3.103 -16.192 -5.570 1.00 25.21 C ATOM 1275 CG GLN A 85 3.756 -17.535 -5.861 1.00 73.24 C ATOM 1276 CD GLN A 85 4.919 -17.830 -4.934 1.00 24.41 C ATOM 1277 OE1 GLN A 85 4.995 -18.905 -4.339 1.00 64.11 O ATOM 1278 NE2 GLN A 85 5.833 -16.875 -4.808 1.00 33.43 N ATOM 0 H GLN A 85 3.272 -15.628 -8.273 1.00 40.42 H new ATOM 0 HA GLN A 85 1.115 -16.345 -6.374 1.00 24.13 H new ATOM 0 HB2 GLN A 85 3.873 -15.421 -5.547 1.00 25.21 H new ATOM 0 HB3 GLN A 85 2.653 -16.223 -4.578 1.00 25.21 H new ATOM 0 HG2 GLN A 85 3.011 -18.325 -5.767 1.00 73.24 H new ATOM 0 HG3 GLN A 85 4.106 -17.549 -6.893 1.00 73.24 H new ATOM 0 HE21 GLN A 85 5.730 -15.999 -5.321 1.00 33.43 H new ATOM 0 HE22 GLN A 85 6.639 -17.017 -4.199 1.00 33.43 H new ATOM 1285 N TYR A 86 0.811 -13.950 -5.604 1.00 4.31 N ATOM 1286 CA TYR A 86 0.436 -12.555 -5.410 1.00 2.24 C ATOM 1287 C TYR A 86 -0.667 -12.429 -4.364 1.00 52.15 C ATOM 1288 O TYR A 86 -1.323 -13.410 -4.015 1.00 33.22 O ATOM 1289 CB TYR A 86 -0.026 -11.941 -6.733 1.00 43.10 C ATOM 1290 CG TYR A 86 -1.061 -12.772 -7.458 1.00 12.34 C ATOM 1291 CD1 TYR A 86 -2.327 -12.964 -6.919 1.00 2.33 C ATOM 1292 CD2 TYR A 86 -0.771 -13.366 -8.680 1.00 51.12 C ATOM 1293 CE1 TYR A 86 -3.275 -13.724 -7.578 1.00 22.52 C ATOM 1294 CE2 TYR A 86 -1.714 -14.125 -9.346 1.00 2.11 C ATOM 1295 CZ TYR A 86 -2.964 -14.301 -8.790 1.00 5.22 C ATOM 1296 OH TYR A 86 -3.904 -15.059 -9.450 1.00 51.04 O ATOM 0 H TYR A 86 0.305 -14.609 -5.013 1.00 4.31 H new ATOM 0 HA TYR A 86 1.313 -12.015 -5.054 1.00 2.24 H new ATOM 0 HB2 TYR A 86 -0.438 -10.951 -6.540 1.00 43.10 H new ATOM 0 HB3 TYR A 86 0.839 -11.805 -7.383 1.00 43.10 H new ATOM 0 HD1 TYR A 86 -2.574 -12.512 -5.970 1.00 2.33 H new ATOM 0 HD2 TYR A 86 0.208 -13.232 -9.117 1.00 51.12 H new ATOM 0 HE1 TYR A 86 -4.254 -13.865 -7.145 1.00 22.52 H new ATOM 0 HE2 TYR A 86 -1.474 -14.578 -10.297 1.00 2.11 H new ATOM 0 HH TYR A 86 -3.525 -15.392 -10.290 1.00 51.04 H new ATOM 1305 N VAL A 87 -0.867 -11.211 -3.869 1.00 35.22 N ATOM 1306 CA VAL A 87 -1.892 -10.953 -2.864 1.00 12.31 C ATOM 1307 C VAL A 87 -3.190 -10.487 -3.511 1.00 62.33 C ATOM 1308 O VAL A 87 -3.177 -9.719 -4.472 1.00 43.00 O ATOM 1309 CB VAL A 87 -1.427 -9.893 -1.848 1.00 54.40 C ATOM 1310 CG1 VAL A 87 -0.025 -10.207 -1.351 1.00 13.11 C ATOM 1311 CG2 VAL A 87 -1.484 -8.503 -2.466 1.00 5.42 C ATOM 0 H VAL A 87 -0.333 -10.388 -4.148 1.00 35.22 H new ATOM 0 HA VAL A 87 -2.068 -11.893 -2.341 1.00 12.31 H new ATOM 0 HB VAL A 87 -2.102 -9.914 -0.992 1.00 54.40 H new ATOM 0 HG11 VAL A 87 0.286 -9.447 -0.634 1.00 13.11 H new ATOM 0 HG12 VAL A 87 -0.020 -11.184 -0.868 1.00 13.11 H new ATOM 0 HG13 VAL A 87 0.666 -10.215 -2.194 1.00 13.11 H new ATOM 0 HG21 VAL A 87 -1.152 -7.766 -1.735 1.00 5.42 H new ATOM 0 HG22 VAL A 87 -0.833 -8.466 -3.339 1.00 5.42 H new ATOM 0 HG23 VAL A 87 -2.508 -8.280 -2.767 1.00 5.42 H new ATOM 1321 N ALA A 88 -4.313 -10.957 -2.977 1.00 2.02 N ATOM 1322 CA ALA A 88 -5.622 -10.587 -3.501 1.00 31.42 C ATOM 1323 C ALA A 88 -6.140 -9.316 -2.836 1.00 74.04 C ATOM 1324 O ALA A 88 -6.678 -8.431 -3.501 1.00 35.05 O ATOM 1325 CB ALA A 88 -6.610 -11.727 -3.305 1.00 44.20 C ATOM 0 H ALA A 88 -4.342 -11.595 -2.182 1.00 2.02 H new ATOM 0 HA ALA A 88 -5.517 -10.391 -4.568 1.00 31.42 H new ATOM 0 HB1 ALA A 88 -7.583 -11.437 -3.701 1.00 44.20 H new ATOM 0 HB2 ALA A 88 -6.253 -12.612 -3.832 1.00 44.20 H new ATOM 0 HB3 ALA A 88 -6.702 -11.950 -2.242 1.00 44.20 H new ATOM 1331 N SER A 89 -5.975 -9.232 -1.519 1.00 1.54 N ATOM 1332 CA SER A 89 -6.430 -8.071 -0.764 1.00 13.34 C ATOM 1333 C SER A 89 -5.273 -7.433 -0.001 1.00 12.30 C ATOM 1334 O SER A 89 -4.388 -8.126 0.503 1.00 60.12 O ATOM 1335 CB SER A 89 -7.538 -8.473 0.211 1.00 42.20 C ATOM 1336 OG SER A 89 -8.318 -7.351 0.585 1.00 61.53 O ATOM 0 H SER A 89 -5.529 -9.955 -0.953 1.00 1.54 H new ATOM 0 HA SER A 89 -6.824 -7.340 -1.470 1.00 13.34 H new ATOM 0 HB2 SER A 89 -8.177 -9.227 -0.250 1.00 42.20 H new ATOM 0 HB3 SER A 89 -7.098 -8.927 1.099 1.00 42.20 H new ATOM 0 HG SER A 89 -9.021 -7.634 1.207 1.00 61.53 H new ATOM 1341 N TYR A 90 -5.287 -6.106 0.080 1.00 2.25 N ATOM 1342 CA TYR A 90 -4.238 -5.373 0.779 1.00 52.30 C ATOM 1343 C TYR A 90 -4.721 -3.982 1.178 1.00 34.20 C ATOM 1344 O TYR A 90 -5.711 -3.478 0.649 1.00 64.11 O ATOM 1345 CB TYR A 90 -2.992 -5.259 -0.100 1.00 43.40 C ATOM 1346 CG TYR A 90 -3.248 -4.580 -1.427 1.00 43.13 C ATOM 1347 CD1 TYR A 90 -3.230 -3.195 -1.536 1.00 13.11 C ATOM 1348 CD2 TYR A 90 -3.506 -5.324 -2.572 1.00 15.41 C ATOM 1349 CE1 TYR A 90 -3.464 -2.570 -2.746 1.00 73.30 C ATOM 1350 CE2 TYR A 90 -3.739 -4.707 -3.787 1.00 53.32 C ATOM 1351 CZ TYR A 90 -3.718 -3.330 -3.867 1.00 41.32 C ATOM 1352 OH TYR A 90 -3.949 -2.711 -5.075 1.00 70.51 O ATOM 0 H TYR A 90 -6.012 -5.517 -0.329 1.00 2.25 H new ATOM 0 HA TYR A 90 -3.985 -5.925 1.684 1.00 52.30 H new ATOM 0 HB2 TYR A 90 -2.225 -4.704 0.441 1.00 43.40 H new ATOM 0 HB3 TYR A 90 -2.594 -6.257 -0.283 1.00 43.40 H new ATOM 0 HD1 TYR A 90 -3.030 -2.596 -0.660 1.00 13.11 H new ATOM 0 HD2 TYR A 90 -3.525 -6.402 -2.512 1.00 15.41 H new ATOM 0 HE1 TYR A 90 -3.448 -1.492 -2.813 1.00 73.30 H new ATOM 0 HE2 TYR A 90 -3.936 -5.299 -4.668 1.00 53.32 H new ATOM 0 HH TYR A 90 -4.110 -3.389 -5.764 1.00 70.51 H new ATOM 1361 N LYS A 91 -4.013 -3.364 2.118 1.00 21.03 N ATOM 1362 CA LYS A 91 -4.366 -2.031 2.590 1.00 13.04 C ATOM 1363 C LYS A 91 -3.232 -1.044 2.329 1.00 50.43 C ATOM 1364 O LYS A 91 -2.069 -1.329 2.616 1.00 42.22 O ATOM 1365 CB LYS A 91 -4.691 -2.065 4.085 1.00 24.34 C ATOM 1366 CG LYS A 91 -6.108 -1.626 4.409 1.00 74.11 C ATOM 1367 CD LYS A 91 -6.134 -0.240 5.032 1.00 43.23 C ATOM 1368 CE LYS A 91 -7.476 0.053 5.685 1.00 21.25 C ATOM 1369 NZ LYS A 91 -7.365 0.131 7.168 1.00 10.35 N ATOM 0 H LYS A 91 -3.191 -3.766 2.568 1.00 21.03 H new ATOM 0 HA LYS A 91 -5.247 -1.700 2.040 1.00 13.04 H new ATOM 0 HB2 LYS A 91 -4.539 -3.078 4.458 1.00 24.34 H new ATOM 0 HB3 LYS A 91 -3.990 -1.421 4.616 1.00 24.34 H new ATOM 0 HG2 LYS A 91 -6.708 -1.628 3.499 1.00 74.11 H new ATOM 0 HG3 LYS A 91 -6.564 -2.342 5.093 1.00 74.11 H new ATOM 0 HD2 LYS A 91 -5.341 -0.159 5.776 1.00 43.23 H new ATOM 0 HD3 LYS A 91 -5.930 0.508 4.266 1.00 43.23 H new ATOM 0 HE2 LYS A 91 -7.870 0.994 5.300 1.00 21.25 H new ATOM 0 HE3 LYS A 91 -8.189 -0.725 5.414 1.00 21.25 H new ATOM 0 HZ1 LYS A 91 -7.698 -0.760 7.588 1.00 10.35 H new ATOM 0 HZ2 LYS A 91 -6.372 0.290 7.434 1.00 10.35 H new ATOM 0 HZ3 LYS A 91 -7.947 0.918 7.519 1.00 10.35 H new ATOM 1379 N VAL A 92 -3.578 0.118 1.784 1.00 45.00 N ATOM 1380 CA VAL A 92 -2.590 1.147 1.487 1.00 55.44 C ATOM 1381 C VAL A 92 -2.916 2.448 2.213 1.00 21.25 C ATOM 1382 O VAL A 92 -3.911 3.106 1.914 1.00 72.02 O ATOM 1383 CB VAL A 92 -2.505 1.426 -0.026 1.00 64.43 C ATOM 1384 CG1 VAL A 92 -3.889 1.703 -0.595 1.00 43.43 C ATOM 1385 CG2 VAL A 92 -1.563 2.586 -0.303 1.00 52.04 C ATOM 0 H VAL A 92 -4.536 0.370 1.539 1.00 45.00 H new ATOM 0 HA VAL A 92 -1.628 0.770 1.834 1.00 55.44 H new ATOM 0 HB VAL A 92 -2.105 0.540 -0.520 1.00 64.43 H new ATOM 0 HG11 VAL A 92 -3.810 1.898 -1.665 1.00 43.43 H new ATOM 0 HG12 VAL A 92 -4.530 0.837 -0.430 1.00 43.43 H new ATOM 0 HG13 VAL A 92 -4.319 2.573 -0.098 1.00 43.43 H new ATOM 0 HG21 VAL A 92 -1.516 2.768 -1.377 1.00 52.04 H new ATOM 0 HG22 VAL A 92 -1.929 3.480 0.201 1.00 52.04 H new ATOM 0 HG23 VAL A 92 -0.567 2.343 0.068 1.00 52.04 H new ATOM 1395 N ALA A 93 -2.068 2.813 3.170 1.00 33.33 N ATOM 1396 CA ALA A 93 -2.265 4.036 3.939 1.00 3.43 C ATOM 1397 C ALA A 93 -1.045 4.947 3.840 1.00 71.14 C ATOM 1398 O ALA A 93 0.093 4.478 3.824 1.00 15.00 O ATOM 1399 CB ALA A 93 -2.561 3.703 5.393 1.00 55.05 C ATOM 0 H ALA A 93 -1.239 2.279 3.431 1.00 33.33 H new ATOM 0 HA ALA A 93 -3.119 4.568 3.519 1.00 3.43 H new ATOM 0 HB1 ALA A 93 -2.706 4.625 5.955 1.00 55.05 H new ATOM 0 HB2 ALA A 93 -3.465 3.097 5.451 1.00 55.05 H new ATOM 0 HB3 ALA A 93 -1.724 3.147 5.817 1.00 55.05 H new ATOM 1405 N HIS A 94 -1.291 6.252 3.774 1.00 22.10 N ATOM 1406 CA HIS A 94 -0.212 7.229 3.677 1.00 71.24 C ATOM 1407 C HIS A 94 -0.213 8.160 4.886 1.00 54.24 C ATOM 1408 O HIS A 94 -1.270 8.535 5.392 1.00 32.40 O ATOM 1409 CB HIS A 94 -0.349 8.044 2.390 1.00 21.33 C ATOM 1410 CG HIS A 94 -0.166 7.233 1.145 1.00 2.24 C ATOM 1411 ND1 HIS A 94 0.605 7.650 0.081 1.00 34.44 N ATOM 1412 CD2 HIS A 94 -0.658 6.020 0.798 1.00 74.12 C ATOM 1413 CE1 HIS A 94 0.578 6.731 -0.867 1.00 64.30 C ATOM 1414 NE2 HIS A 94 -0.182 5.732 -0.457 1.00 24.33 N ATOM 0 H HIS A 94 -2.227 6.657 3.786 1.00 22.10 H new ATOM 0 HA HIS A 94 0.735 6.689 3.657 1.00 71.24 H new ATOM 0 HB2 HIS A 94 -1.334 8.510 2.368 1.00 21.33 H new ATOM 0 HB3 HIS A 94 0.385 8.850 2.400 1.00 21.33 H new ATOM 0 HD1 HIS A 94 1.117 8.531 0.033 1.00 34.44 H new ATOM 0 HD2 HIS A 94 -1.304 5.396 1.397 1.00 74.12 H new ATOM 0 HE1 HIS A 94 1.090 6.787 -1.816 1.00 64.30 H new ATOM 1421 N SER A 95 0.979 8.530 5.343 1.00 3.43 N ATOM 1422 CA SER A 95 1.116 9.413 6.495 1.00 13.25 C ATOM 1423 C SER A 95 1.973 10.627 6.149 1.00 35.31 C ATOM 1424 O SER A 95 3.096 10.490 5.663 1.00 51.53 O ATOM 1425 CB SER A 95 1.733 8.657 7.673 1.00 1.22 C ATOM 1426 OG SER A 95 1.667 7.256 7.473 1.00 45.25 O ATOM 0 H SER A 95 1.864 8.232 4.933 1.00 3.43 H new ATOM 0 HA SER A 95 0.122 9.760 6.777 1.00 13.25 H new ATOM 0 HB2 SER A 95 2.772 8.961 7.799 1.00 1.22 H new ATOM 0 HB3 SER A 95 1.210 8.921 8.592 1.00 1.22 H new ATOM 0 HG SER A 95 2.343 6.987 6.817 1.00 45.25 H new ATOM 1431 N ASP A 96 1.434 11.815 6.404 1.00 31.15 N ATOM 1432 CA ASP A 96 2.149 13.054 6.121 1.00 31.42 C ATOM 1433 C ASP A 96 2.915 13.533 7.352 1.00 71.44 C ATOM 1434 O ASP A 96 3.999 14.104 7.236 1.00 33.53 O ATOM 1435 CB ASP A 96 1.172 14.137 5.661 1.00 42.43 C ATOM 1436 CG ASP A 96 1.776 15.526 5.723 1.00 32.11 C ATOM 1437 OD1 ASP A 96 2.888 15.713 5.187 1.00 12.21 O ATOM 1438 OD2 ASP A 96 1.137 16.425 6.308 1.00 41.43 O ATOM 0 H ASP A 96 0.506 11.946 6.806 1.00 31.15 H new ATOM 0 HA ASP A 96 2.865 12.858 5.323 1.00 31.42 H new ATOM 0 HB2 ASP A 96 0.856 13.927 4.639 1.00 42.43 H new ATOM 0 HB3 ASP A 96 0.278 14.104 6.284 1.00 42.43 H new ATOM 1442 N ASP A 97 2.342 13.296 8.527 1.00 32.32 N ATOM 1443 CA ASP A 97 2.971 13.703 9.779 1.00 71.43 C ATOM 1444 C ASP A 97 3.753 12.548 10.394 1.00 23.22 C ATOM 1445 O ASP A 97 4.616 12.753 11.248 1.00 41.15 O ATOM 1446 CB ASP A 97 1.914 14.202 10.765 1.00 72.15 C ATOM 1447 CG ASP A 97 2.430 15.321 11.650 1.00 23.22 C ATOM 1448 OD1 ASP A 97 2.642 16.437 11.132 1.00 31.50 O ATOM 1449 OD2 ASP A 97 2.625 15.078 12.860 1.00 44.14 O ATOM 0 H ASP A 97 1.444 12.825 8.639 1.00 32.32 H new ATOM 0 HA ASP A 97 3.666 14.514 9.562 1.00 71.43 H new ATOM 0 HB2 ASP A 97 1.042 14.552 10.212 1.00 72.15 H new ATOM 0 HB3 ASP A 97 1.583 13.372 11.389 1.00 72.15 H new ATOM 1453 N GLY A 98 3.445 11.330 9.957 1.00 10.32 N ATOM 1454 CA GLY A 98 4.128 10.160 10.476 1.00 70.41 C ATOM 1455 C GLY A 98 3.257 9.351 11.417 1.00 3.45 C ATOM 1456 O GLY A 98 3.368 8.126 11.478 1.00 14.03 O ATOM 0 H GLY A 98 2.734 11.133 9.252 1.00 10.32 H new ATOM 0 HA2 GLY A 98 4.444 9.529 9.645 1.00 70.41 H new ATOM 0 HA3 GLY A 98 5.031 10.473 11.000 1.00 70.41 H new ATOM 1460 N VAL A 99 2.389 10.036 12.154 1.00 51.24 N ATOM 1461 CA VAL A 99 1.496 9.373 13.096 1.00 72.21 C ATOM 1462 C VAL A 99 0.099 9.210 12.509 1.00 42.42 C ATOM 1463 O VAL A 99 -0.610 8.255 12.825 1.00 64.42 O ATOM 1464 CB VAL A 99 1.396 10.156 14.420 1.00 45.30 C ATOM 1465 CG1 VAL A 99 0.965 11.591 14.160 1.00 11.52 C ATOM 1466 CG2 VAL A 99 0.432 9.466 15.374 1.00 15.24 C ATOM 0 H VAL A 99 2.285 11.050 12.117 1.00 51.24 H new ATOM 0 HA VAL A 99 1.920 8.389 13.294 1.00 72.21 H new ATOM 0 HB VAL A 99 2.381 10.177 14.886 1.00 45.30 H new ATOM 0 HG11 VAL A 99 0.900 12.128 15.106 1.00 11.52 H new ATOM 0 HG12 VAL A 99 1.696 12.079 13.515 1.00 11.52 H new ATOM 0 HG13 VAL A 99 -0.010 11.595 13.672 1.00 11.52 H new ATOM 0 HG21 VAL A 99 0.373 10.032 16.304 1.00 15.24 H new ATOM 0 HG22 VAL A 99 -0.557 9.414 14.918 1.00 15.24 H new ATOM 0 HG23 VAL A 99 0.788 8.458 15.585 1.00 15.24 H new ATOM 1476 N GLN A 100 -0.290 10.148 11.650 1.00 22.15 N ATOM 1477 CA GLN A 100 -1.602 10.108 11.018 1.00 25.13 C ATOM 1478 C GLN A 100 -1.574 9.246 9.760 1.00 2.21 C ATOM 1479 O GLN A 100 -1.087 9.673 8.713 1.00 13.25 O ATOM 1480 CB GLN A 100 -2.069 11.522 10.671 1.00 5.32 C ATOM 1481 CG GLN A 100 -2.041 12.478 11.852 1.00 14.10 C ATOM 1482 CD GLN A 100 -2.538 13.865 11.492 1.00 73.53 C ATOM 1483 OE1 GLN A 100 -3.350 14.028 10.582 1.00 42.52 O ATOM 1484 NE2 GLN A 100 -2.052 14.872 12.208 1.00 52.15 N ATOM 0 H GLN A 100 0.286 10.944 11.377 1.00 22.15 H new ATOM 0 HA GLN A 100 -2.304 9.665 11.725 1.00 25.13 H new ATOM 0 HB2 GLN A 100 -1.437 11.920 9.877 1.00 5.32 H new ATOM 0 HB3 GLN A 100 -3.084 11.474 10.277 1.00 5.32 H new ATOM 0 HG2 GLN A 100 -2.655 12.074 12.657 1.00 14.10 H new ATOM 0 HG3 GLN A 100 -1.022 12.549 12.233 1.00 14.10 H new ATOM 0 HE21 GLN A 100 -1.380 14.690 12.954 1.00 52.15 H new ATOM 0 HE22 GLN A 100 -2.350 15.828 12.012 1.00 52.15 H new ATOM 1491 N TRP A 101 -2.099 8.031 9.869 1.00 60.32 N ATOM 1492 CA TRP A 101 -2.134 7.108 8.740 1.00 52.15 C ATOM 1493 C TRP A 101 -3.475 7.182 8.018 1.00 24.32 C ATOM 1494 O TRP A 101 -4.485 6.675 8.509 1.00 14.02 O ATOM 1495 CB TRP A 101 -1.873 5.678 9.214 1.00 62.11 C ATOM 1496 CG TRP A 101 -0.738 5.573 10.186 1.00 2.45 C ATOM 1497 CD1 TRP A 101 0.395 6.336 10.209 1.00 3.13 C ATOM 1498 CD2 TRP A 101 -0.624 4.649 11.275 1.00 2.44 C ATOM 1499 NE1 TRP A 101 1.206 5.943 11.246 1.00 22.44 N ATOM 1500 CE2 TRP A 101 0.604 4.910 11.915 1.00 74.20 C ATOM 1501 CE3 TRP A 101 -1.439 3.629 11.771 1.00 14.11 C ATOM 1502 CZ2 TRP A 101 1.032 4.186 13.025 1.00 14.21 C ATOM 1503 CZ3 TRP A 101 -1.012 2.912 12.872 1.00 20.44 C ATOM 1504 CH2 TRP A 101 0.214 3.192 13.490 1.00 53.30 C ATOM 0 H TRP A 101 -2.507 7.662 10.728 1.00 60.32 H new ATOM 0 HA TRP A 101 -1.350 7.399 8.041 1.00 52.15 H new ATOM 0 HB2 TRP A 101 -2.778 5.286 9.679 1.00 62.11 H new ATOM 0 HB3 TRP A 101 -1.661 5.049 8.349 1.00 62.11 H new ATOM 0 HD1 TRP A 101 0.620 7.131 9.514 1.00 3.13 H new ATOM 0 HE1 TRP A 101 2.110 6.354 11.480 1.00 22.44 H new ATOM 0 HE3 TRP A 101 -2.386 3.405 11.302 1.00 14.11 H new ATOM 0 HZ2 TRP A 101 1.977 4.401 13.502 1.00 14.21 H new ATOM 0 HZ3 TRP A 101 -1.635 2.121 13.264 1.00 20.44 H new ATOM 0 HH2 TRP A 101 0.519 2.613 14.349 1.00 53.30 H new ATOM 1514 N THR A 102 -3.480 7.814 6.848 1.00 21.04 N ATOM 1515 CA THR A 102 -4.697 7.953 6.059 1.00 34.30 C ATOM 1516 C THR A 102 -4.901 6.751 5.145 1.00 12.53 C ATOM 1517 O THR A 102 -4.122 6.524 4.219 1.00 1.24 O ATOM 1518 CB THR A 102 -4.669 9.235 5.206 1.00 45.22 C ATOM 1519 OG1 THR A 102 -4.614 10.388 6.053 1.00 34.52 O ATOM 1520 CG2 THR A 102 -5.897 9.315 4.311 1.00 53.35 C ATOM 0 H THR A 102 -2.654 8.238 6.426 1.00 21.04 H new ATOM 0 HA THR A 102 -5.526 8.013 6.764 1.00 34.30 H new ATOM 0 HB THR A 102 -3.780 9.206 4.576 1.00 45.22 H new ATOM 0 HG1 THR A 102 -4.595 11.198 5.502 1.00 34.52 H new ATOM 0 HG21 THR A 102 -5.856 10.228 3.718 1.00 53.35 H new ATOM 0 HG22 THR A 102 -5.920 8.451 3.646 1.00 53.35 H new ATOM 0 HG23 THR A 102 -6.796 9.323 4.927 1.00 53.35 H new ATOM 1528 N VAL A 103 -5.953 5.983 5.410 1.00 51.41 N ATOM 1529 CA VAL A 103 -6.261 4.804 4.609 1.00 12.33 C ATOM 1530 C VAL A 103 -7.346 5.105 3.583 1.00 45.53 C ATOM 1531 O VAL A 103 -8.408 5.628 3.921 1.00 12.15 O ATOM 1532 CB VAL A 103 -6.717 3.629 5.494 1.00 43.22 C ATOM 1533 CG1 VAL A 103 -5.603 3.208 6.440 1.00 32.32 C ATOM 1534 CG2 VAL A 103 -7.973 4.001 6.266 1.00 23.32 C ATOM 0 H VAL A 103 -6.607 6.156 6.174 1.00 51.41 H new ATOM 0 HA VAL A 103 -5.344 4.524 4.091 1.00 12.33 H new ATOM 0 HB VAL A 103 -6.952 2.781 4.850 1.00 43.22 H new ATOM 0 HG11 VAL A 103 -5.944 2.377 7.057 1.00 32.32 H new ATOM 0 HG12 VAL A 103 -4.733 2.897 5.862 1.00 32.32 H new ATOM 0 HG13 VAL A 103 -5.333 4.048 7.080 1.00 32.32 H new ATOM 0 HG21 VAL A 103 -8.281 3.159 6.886 1.00 23.32 H new ATOM 0 HG22 VAL A 103 -7.768 4.863 6.900 1.00 23.32 H new ATOM 0 HG23 VAL A 103 -8.771 4.247 5.566 1.00 23.32 H new ATOM 1544 N TYR A 104 -7.072 4.772 2.326 1.00 62.15 N ATOM 1545 CA TYR A 104 -8.025 5.008 1.247 1.00 32.21 C ATOM 1546 C TYR A 104 -9.115 3.940 1.240 1.00 3.03 C ATOM 1547 O TYR A 104 -8.935 2.859 0.679 1.00 31.23 O ATOM 1548 CB TYR A 104 -7.306 5.028 -0.101 1.00 40.52 C ATOM 1549 CG TYR A 104 -6.253 6.108 -0.210 1.00 13.21 C ATOM 1550 CD1 TYR A 104 -6.544 7.425 0.123 1.00 11.14 C ATOM 1551 CD2 TYR A 104 -4.967 5.811 -0.646 1.00 71.02 C ATOM 1552 CE1 TYR A 104 -5.585 8.415 0.025 1.00 54.21 C ATOM 1553 CE2 TYR A 104 -4.002 6.795 -0.745 1.00 4.04 C ATOM 1554 CZ TYR A 104 -4.315 8.095 -0.409 1.00 21.10 C ATOM 1555 OH TYR A 104 -3.357 9.078 -0.508 1.00 25.24 O ATOM 0 H TYR A 104 -6.198 4.338 2.029 1.00 62.15 H new ATOM 0 HA TYR A 104 -8.493 5.978 1.415 1.00 32.21 H new ATOM 0 HB2 TYR A 104 -6.838 4.058 -0.268 1.00 40.52 H new ATOM 0 HB3 TYR A 104 -8.041 5.168 -0.893 1.00 40.52 H new ATOM 0 HD1 TYR A 104 -7.537 7.679 0.464 1.00 11.14 H new ATOM 0 HD2 TYR A 104 -4.718 4.794 -0.912 1.00 71.02 H new ATOM 0 HE1 TYR A 104 -5.828 9.434 0.287 1.00 54.21 H new ATOM 0 HE2 TYR A 104 -3.007 6.547 -1.084 1.00 4.04 H new ATOM 0 HH TYR A 104 -3.667 9.777 -1.121 1.00 25.24 H new ATOM 1632 N LYS A 111 -12.867 0.232 3.560 1.00 3.23 N ATOM 1633 CA LYS A 111 -12.623 -1.080 2.970 1.00 62.21 C ATOM 1634 C LYS A 111 -11.272 -1.116 2.262 1.00 63.33 C ATOM 1635 O LYS A 111 -10.921 -0.191 1.529 1.00 2.41 O ATOM 1636 CB LYS A 111 -13.738 -1.434 1.984 1.00 20.30 C ATOM 1637 CG LYS A 111 -14.424 -2.754 2.289 1.00 3.34 C ATOM 1638 CD LYS A 111 -15.019 -2.764 3.687 1.00 24.53 C ATOM 1639 CE LYS A 111 -16.525 -2.968 3.649 1.00 64.42 C ATOM 1640 NZ LYS A 111 -17.105 -3.081 5.017 1.00 13.10 N ATOM 0 HA LYS A 111 -12.611 -1.816 3.774 1.00 62.21 H new ATOM 0 HB2 LYS A 111 -14.482 -0.638 1.989 1.00 20.30 H new ATOM 0 HB3 LYS A 111 -13.322 -1.475 0.977 1.00 20.30 H new ATOM 0 HG2 LYS A 111 -15.211 -2.934 1.557 1.00 3.34 H new ATOM 0 HG3 LYS A 111 -13.706 -3.569 2.192 1.00 3.34 H new ATOM 0 HD2 LYS A 111 -14.558 -3.558 4.274 1.00 24.53 H new ATOM 0 HD3 LYS A 111 -14.791 -1.823 4.188 1.00 24.53 H new ATOM 0 HE2 LYS A 111 -16.991 -2.134 3.125 1.00 64.42 H new ATOM 0 HE3 LYS A 111 -16.755 -3.870 3.081 1.00 64.42 H new ATOM 0 HZ1 LYS A 111 -18.133 -3.219 4.948 1.00 13.10 H new ATOM 0 HZ2 LYS A 111 -16.679 -3.892 5.509 1.00 13.10 H new ATOM 0 HZ3 LYS A 111 -16.908 -2.210 5.551 1.00 13.10 H new ATOM 1650 N VAL A 112 -10.521 -2.190 2.483 1.00 61.53 N ATOM 1651 CA VAL A 112 -9.212 -2.348 1.864 1.00 15.44 C ATOM 1652 C VAL A 112 -9.330 -2.457 0.347 1.00 32.53 C ATOM 1653 O VAL A 112 -10.432 -2.475 -0.200 1.00 34.42 O ATOM 1654 CB VAL A 112 -8.481 -3.593 2.402 1.00 41.45 C ATOM 1655 CG1 VAL A 112 -8.557 -3.641 3.920 1.00 31.31 C ATOM 1656 CG2 VAL A 112 -9.065 -4.858 1.790 1.00 54.11 C ATOM 0 H VAL A 112 -10.798 -2.964 3.087 1.00 61.53 H new ATOM 0 HA VAL A 112 -8.634 -1.459 2.118 1.00 15.44 H new ATOM 0 HB VAL A 112 -7.431 -3.530 2.117 1.00 41.45 H new ATOM 0 HG11 VAL A 112 -8.036 -4.527 4.283 1.00 31.31 H new ATOM 0 HG12 VAL A 112 -8.089 -2.749 4.336 1.00 31.31 H new ATOM 0 HG13 VAL A 112 -9.601 -3.682 4.231 1.00 31.31 H new ATOM 0 HG21 VAL A 112 -8.537 -5.728 2.181 1.00 54.11 H new ATOM 0 HG22 VAL A 112 -10.122 -4.930 2.044 1.00 54.11 H new ATOM 0 HG23 VAL A 112 -8.954 -4.823 0.706 1.00 54.11 H new ATOM 1666 N PHE A 113 -8.186 -2.531 -0.326 1.00 64.13 N ATOM 1667 CA PHE A 113 -8.162 -2.639 -1.780 1.00 52.03 C ATOM 1668 C PHE A 113 -7.733 -4.036 -2.215 1.00 23.15 C ATOM 1669 O PHE A 113 -6.635 -4.489 -1.891 1.00 54.34 O ATOM 1670 CB PHE A 113 -7.213 -1.594 -2.374 1.00 24.51 C ATOM 1671 CG PHE A 113 -7.919 -0.384 -2.916 1.00 11.55 C ATOM 1672 CD1 PHE A 113 -8.762 0.362 -2.110 1.00 32.13 C ATOM 1673 CD2 PHE A 113 -7.736 0.008 -4.233 1.00 33.24 C ATOM 1674 CE1 PHE A 113 -9.412 1.475 -2.606 1.00 12.52 C ATOM 1675 CE2 PHE A 113 -8.384 1.121 -4.736 1.00 33.12 C ATOM 1676 CZ PHE A 113 -9.222 1.856 -3.921 1.00 22.11 C ATOM 0 H PHE A 113 -7.265 -2.518 0.112 1.00 64.13 H new ATOM 0 HA PHE A 113 -9.171 -2.457 -2.150 1.00 52.03 H new ATOM 0 HB2 PHE A 113 -6.506 -1.279 -1.607 1.00 24.51 H new ATOM 0 HB3 PHE A 113 -6.632 -2.055 -3.173 1.00 24.51 H new ATOM 0 HD1 PHE A 113 -8.913 0.070 -1.081 1.00 32.13 H new ATOM 0 HD2 PHE A 113 -7.080 -0.563 -4.873 1.00 33.24 H new ATOM 0 HE1 PHE A 113 -10.068 2.047 -1.967 1.00 12.52 H new ATOM 0 HE2 PHE A 113 -8.235 1.415 -5.764 1.00 33.12 H new ATOM 0 HZ PHE A 113 -9.728 2.727 -4.310 1.00 22.11 H new ATOM 1685 N GLN A 114 -8.609 -4.716 -2.948 1.00 4.23 N ATOM 1686 CA GLN A 114 -8.321 -6.064 -3.427 1.00 72.54 C ATOM 1687 C GLN A 114 -8.594 -6.180 -4.922 1.00 61.51 C ATOM 1688 O GLN A 114 -9.315 -5.366 -5.497 1.00 3.42 O ATOM 1689 CB GLN A 114 -9.161 -7.089 -2.661 1.00 41.22 C ATOM 1690 CG GLN A 114 -10.641 -6.744 -2.608 1.00 22.25 C ATOM 1691 CD GLN A 114 -11.325 -6.904 -3.951 1.00 62.41 C ATOM 1692 OE1 GLN A 114 -12.014 -5.998 -4.422 1.00 54.21 O ATOM 1693 NE2 GLN A 114 -11.140 -8.061 -4.577 1.00 53.15 N ATOM 0 H GLN A 114 -9.523 -4.357 -3.223 1.00 4.23 H new ATOM 0 HA GLN A 114 -7.264 -6.267 -3.253 1.00 72.54 H new ATOM 0 HB2 GLN A 114 -9.041 -8.067 -3.128 1.00 41.22 H new ATOM 0 HB3 GLN A 114 -8.779 -7.172 -1.644 1.00 41.22 H new ATOM 0 HG2 GLN A 114 -11.133 -7.383 -1.875 1.00 22.25 H new ATOM 0 HG3 GLN A 114 -10.759 -5.716 -2.265 1.00 22.25 H new ATOM 0 HE21 GLN A 114 -10.561 -8.785 -4.151 1.00 53.15 H new ATOM 0 HE22 GLN A 114 -11.577 -8.226 -5.484 1.00 53.15 H new ATOM 1700 N GLY A 115 -8.013 -7.200 -5.547 1.00 1.42 N ATOM 1701 CA GLY A 115 -8.204 -7.404 -6.971 1.00 44.05 C ATOM 1702 C GLY A 115 -6.921 -7.231 -7.760 1.00 51.25 C ATOM 1703 O GLY A 115 -6.483 -6.108 -8.004 1.00 53.20 O ATOM 0 H GLY A 115 -7.413 -7.889 -5.092 1.00 1.42 H new ATOM 0 HA2 GLY A 115 -8.599 -8.405 -7.141 1.00 44.05 H new ATOM 0 HA3 GLY A 115 -8.950 -6.700 -7.339 1.00 44.05 H new ATOM 1707 N ASN A 116 -6.318 -8.346 -8.158 1.00 33.00 N ATOM 1708 CA ASN A 116 -5.076 -8.311 -8.922 1.00 20.14 C ATOM 1709 C ASN A 116 -5.213 -9.103 -10.219 1.00 55.10 C ATOM 1710 O ASN A 116 -5.323 -10.329 -10.202 1.00 4.31 O ATOM 1711 CB ASN A 116 -3.924 -8.874 -8.087 1.00 24.43 C ATOM 1712 CG ASN A 116 -3.567 -7.980 -6.916 1.00 32.24 C ATOM 1713 OD1 ASN A 116 -2.469 -7.424 -6.857 1.00 62.41 O ATOM 1714 ND2 ASN A 116 -4.493 -7.838 -5.976 1.00 51.04 N ATOM 0 H ASN A 116 -6.668 -9.284 -7.965 1.00 33.00 H new ATOM 0 HA ASN A 116 -4.861 -7.272 -9.172 1.00 20.14 H new ATOM 0 HB2 ASN A 116 -4.197 -9.862 -7.716 1.00 24.43 H new ATOM 0 HB3 ASN A 116 -3.048 -9.003 -8.722 1.00 24.43 H new ATOM 0 HD21 ASN A 116 -4.309 -7.249 -5.164 1.00 51.04 H new ATOM 0 HD22 ASN A 116 -5.389 -8.317 -6.066 1.00 51.04 H new ATOM 1720 N LEU A 117 -5.207 -8.393 -11.341 1.00 52.21 N ATOM 1721 CA LEU A 117 -5.330 -9.027 -12.649 1.00 3.51 C ATOM 1722 C LEU A 117 -4.337 -10.177 -12.792 1.00 53.42 C ATOM 1723 O LEU A 117 -4.652 -11.213 -13.376 1.00 42.11 O ATOM 1724 CB LEU A 117 -5.102 -8.001 -13.760 1.00 74.15 C ATOM 1725 CG LEU A 117 -5.939 -6.724 -13.675 1.00 0.11 C ATOM 1726 CD1 LEU A 117 -5.089 -5.506 -14.002 1.00 32.44 C ATOM 1727 CD2 LEU A 117 -7.137 -6.808 -14.610 1.00 54.22 C ATOM 0 H LEU A 117 -5.118 -7.377 -11.372 1.00 52.21 H new ATOM 0 HA LEU A 117 -6.339 -9.429 -12.736 1.00 3.51 H new ATOM 0 HB2 LEU A 117 -4.048 -7.722 -13.759 1.00 74.15 H new ATOM 0 HB3 LEU A 117 -5.304 -8.481 -14.718 1.00 74.15 H new ATOM 0 HG LEU A 117 -6.307 -6.621 -12.654 1.00 0.11 H new ATOM 0 HD11 LEU A 117 -5.701 -4.607 -13.936 1.00 32.44 H new ATOM 0 HD12 LEU A 117 -4.265 -5.436 -13.292 1.00 32.44 H new ATOM 0 HD13 LEU A 117 -4.691 -5.601 -15.012 1.00 32.44 H new ATOM 0 HD21 LEU A 117 -7.721 -5.891 -14.536 1.00 54.22 H new ATOM 0 HD22 LEU A 117 -6.790 -6.936 -15.635 1.00 54.22 H new ATOM 0 HD23 LEU A 117 -7.759 -7.658 -14.329 1.00 54.22 H new ATOM 1738 N ASP A 118 -3.137 -9.985 -12.254 1.00 40.11 N ATOM 1739 CA ASP A 118 -2.099 -11.007 -12.319 1.00 32.42 C ATOM 1740 C ASP A 118 -0.792 -10.491 -11.724 1.00 4.20 C ATOM 1741 O ASP A 118 -0.758 -9.433 -11.098 1.00 10.22 O ATOM 1742 CB ASP A 118 -1.876 -11.447 -13.766 1.00 3.13 C ATOM 1743 CG ASP A 118 -2.024 -12.946 -13.944 1.00 1.43 C ATOM 1744 OD1 ASP A 118 -1.706 -13.691 -12.993 1.00 1.10 O ATOM 1745 OD2 ASP A 118 -2.457 -13.373 -15.034 1.00 23.10 O ATOM 0 H ASP A 118 -2.860 -9.132 -11.769 1.00 40.11 H new ATOM 0 HA ASP A 118 -2.431 -11.865 -11.734 1.00 32.42 H new ATOM 0 HB2 ASP A 118 -2.589 -10.935 -14.412 1.00 3.13 H new ATOM 0 HB3 ASP A 118 -0.880 -11.143 -14.086 1.00 3.13 H new ATOM 1749 N ASN A 119 0.282 -11.248 -11.924 1.00 14.34 N ATOM 1750 CA ASN A 119 1.592 -10.868 -11.406 1.00 44.32 C ATOM 1751 C ASN A 119 2.352 -10.018 -12.420 1.00 43.33 C ATOM 1752 O ASN A 119 3.178 -9.184 -12.052 1.00 34.32 O ATOM 1753 CB ASN A 119 2.407 -12.115 -11.057 1.00 13.51 C ATOM 1754 CG ASN A 119 2.745 -12.946 -12.280 1.00 42.40 C ATOM 1755 OD1 ASN A 119 1.860 -13.348 -13.036 1.00 31.34 O ATOM 1756 ND2 ASN A 119 4.032 -13.206 -12.480 1.00 64.12 N ATOM 0 H ASN A 119 0.271 -12.127 -12.441 1.00 14.34 H new ATOM 0 HA ASN A 119 1.440 -10.277 -10.503 1.00 44.32 H new ATOM 0 HB2 ASN A 119 3.329 -11.815 -10.559 1.00 13.51 H new ATOM 0 HB3 ASN A 119 1.846 -12.726 -10.350 1.00 13.51 H new ATOM 0 HD21 ASN A 119 4.321 -13.759 -13.287 1.00 64.12 H new ATOM 0 HD22 ASN A 119 4.731 -12.852 -11.827 1.00 64.12 H new ATOM 1762 N ASN A 120 2.066 -10.236 -13.700 1.00 73.11 N ATOM 1763 CA ASN A 120 2.722 -9.490 -14.767 1.00 40.31 C ATOM 1764 C ASN A 120 2.086 -8.113 -14.939 1.00 3.51 C ATOM 1765 O ASN A 120 2.748 -7.088 -14.785 1.00 34.45 O ATOM 1766 CB ASN A 120 2.647 -10.268 -16.083 1.00 55.22 C ATOM 1767 CG ASN A 120 3.771 -11.277 -16.223 1.00 74.05 C ATOM 1768 OD1 ASN A 120 4.948 -10.925 -16.145 1.00 50.12 O ATOM 1769 ND2 ASN A 120 3.410 -12.538 -16.432 1.00 52.30 N ATOM 0 H ASN A 120 1.385 -10.923 -14.023 1.00 73.11 H new ATOM 0 HA ASN A 120 3.768 -9.355 -14.492 1.00 40.31 H new ATOM 0 HB2 ASN A 120 1.689 -10.785 -16.142 1.00 55.22 H new ATOM 0 HB3 ASN A 120 2.684 -9.569 -16.918 1.00 55.22 H new ATOM 0 HD21 ASN A 120 4.121 -13.262 -16.535 1.00 52.30 H new ATOM 0 HD22 ASN A 120 2.421 -12.783 -16.489 1.00 52.30 H new ATOM 1775 N SER A 121 0.797 -8.100 -15.263 1.00 35.33 N ATOM 1776 CA SER A 121 0.071 -6.851 -15.459 1.00 13.22 C ATOM 1777 C SER A 121 0.267 -5.915 -14.269 1.00 44.44 C ATOM 1778 O SER A 121 0.069 -6.306 -13.119 1.00 50.41 O ATOM 1779 CB SER A 121 -1.419 -7.129 -15.663 1.00 70.14 C ATOM 1780 OG SER A 121 -1.920 -7.992 -14.657 1.00 24.21 O ATOM 0 H SER A 121 0.234 -8.940 -15.395 1.00 35.33 H new ATOM 0 HA SER A 121 0.468 -6.365 -16.350 1.00 13.22 H new ATOM 0 HB2 SER A 121 -1.972 -6.190 -15.649 1.00 70.14 H new ATOM 0 HB3 SER A 121 -1.577 -7.578 -16.643 1.00 70.14 H new ATOM 0 HG SER A 121 -1.472 -7.798 -13.807 1.00 24.21 H new ATOM 1785 N HIS A 122 0.658 -4.678 -14.557 1.00 42.25 N ATOM 1786 CA HIS A 122 0.881 -3.684 -13.512 1.00 5.41 C ATOM 1787 C HIS A 122 -0.268 -2.682 -13.462 1.00 34.12 C ATOM 1788 O HIS A 122 -0.719 -2.185 -14.494 1.00 63.42 O ATOM 1789 CB HIS A 122 2.202 -2.952 -13.749 1.00 12.12 C ATOM 1790 CG HIS A 122 2.117 -1.888 -14.799 1.00 2.53 C ATOM 1791 ND1 HIS A 122 1.463 -2.067 -16.000 1.00 52.14 N ATOM 1792 CD2 HIS A 122 2.608 -0.627 -14.824 1.00 20.14 C ATOM 1793 CE1 HIS A 122 1.556 -0.961 -16.717 1.00 44.20 C ATOM 1794 NE2 HIS A 122 2.247 -0.072 -16.027 1.00 63.22 N ATOM 0 H HIS A 122 0.827 -4.340 -15.504 1.00 42.25 H new ATOM 0 HA HIS A 122 0.929 -4.203 -12.555 1.00 5.41 H new ATOM 0 HB2 HIS A 122 2.531 -2.501 -12.813 1.00 12.12 H new ATOM 0 HB3 HIS A 122 2.963 -3.677 -14.039 1.00 12.12 H new ATOM 0 HD2 HIS A 122 3.178 -0.146 -14.043 1.00 20.14 H new ATOM 0 HE1 HIS A 122 1.138 -0.810 -17.701 1.00 44.20 H new ATOM 0 HE2 HIS A 122 2.475 0.873 -16.337 1.00 63.22 H new ATOM 1801 N LYS A 123 -0.737 -2.389 -12.253 1.00 62.24 N ATOM 1802 CA LYS A 123 -1.834 -1.446 -12.067 1.00 73.12 C ATOM 1803 C LYS A 123 -2.232 -1.359 -10.597 1.00 53.12 C ATOM 1804 O LYS A 123 -1.777 -2.151 -9.772 1.00 34.40 O ATOM 1805 CB LYS A 123 -3.041 -1.861 -12.910 1.00 60.23 C ATOM 1806 CG LYS A 123 -3.350 -0.902 -14.047 1.00 34.14 C ATOM 1807 CD LYS A 123 -4.813 -0.497 -14.052 1.00 54.15 C ATOM 1808 CE LYS A 123 -5.132 0.425 -15.219 1.00 44.02 C ATOM 1809 NZ LYS A 123 -5.454 -0.338 -16.457 1.00 72.14 N ATOM 0 H LYS A 123 -0.375 -2.791 -11.388 1.00 62.24 H new ATOM 0 HA LYS A 123 -1.494 -0.463 -12.393 1.00 73.12 H new ATOM 0 HB2 LYS A 123 -2.861 -2.854 -13.322 1.00 60.23 H new ATOM 0 HB3 LYS A 123 -3.915 -1.938 -12.264 1.00 60.23 H new ATOM 0 HG2 LYS A 123 -2.726 -0.013 -13.954 1.00 34.14 H new ATOM 0 HG3 LYS A 123 -3.098 -1.371 -14.998 1.00 34.14 H new ATOM 0 HD2 LYS A 123 -5.438 -1.388 -14.110 1.00 54.15 H new ATOM 0 HD3 LYS A 123 -5.056 0.003 -13.115 1.00 54.15 H new ATOM 0 HE2 LYS A 123 -5.975 1.064 -14.957 1.00 44.02 H new ATOM 0 HE3 LYS A 123 -4.282 1.080 -15.407 1.00 44.02 H new ATOM 0 HZ1 LYS A 123 -5.666 0.326 -17.229 1.00 72.14 H new ATOM 0 HZ2 LYS A 123 -4.640 -0.929 -16.722 1.00 72.14 H new ATOM 0 HZ3 LYS A 123 -6.281 -0.944 -16.286 1.00 72.14 H new ATOM 1819 N LYS A 124 -3.086 -0.392 -10.276 1.00 22.13 N ATOM 1820 CA LYS A 124 -3.549 -0.203 -8.907 1.00 52.11 C ATOM 1821 C LYS A 124 -4.609 0.891 -8.837 1.00 23.31 C ATOM 1822 O LYS A 124 -5.780 0.618 -8.571 1.00 14.42 O ATOM 1823 CB LYS A 124 -2.373 0.153 -7.994 1.00 71.25 C ATOM 1824 CG LYS A 124 -2.575 -0.271 -6.549 1.00 55.41 C ATOM 1825 CD LYS A 124 -1.311 -0.074 -5.729 1.00 3.04 C ATOM 1826 CE LYS A 124 -1.361 -0.864 -4.430 1.00 3.35 C ATOM 1827 NZ LYS A 124 -0.035 -0.905 -3.755 1.00 21.42 N ATOM 0 H LYS A 124 -3.471 0.273 -10.947 1.00 22.13 H new ATOM 0 HA LYS A 124 -3.995 -1.138 -8.568 1.00 52.11 H new ATOM 0 HB2 LYS A 124 -1.469 -0.319 -8.379 1.00 71.25 H new ATOM 0 HB3 LYS A 124 -2.210 1.230 -8.028 1.00 71.25 H new ATOM 0 HG2 LYS A 124 -3.389 0.306 -6.110 1.00 55.41 H new ATOM 0 HG3 LYS A 124 -2.873 -1.319 -6.514 1.00 55.41 H new ATOM 0 HD2 LYS A 124 -0.445 -0.386 -6.313 1.00 3.04 H new ATOM 0 HD3 LYS A 124 -1.181 0.985 -5.507 1.00 3.04 H new ATOM 0 HE2 LYS A 124 -2.096 -0.416 -3.761 1.00 3.35 H new ATOM 0 HE3 LYS A 124 -1.695 -1.881 -4.636 1.00 3.35 H new ATOM 0 HZ1 LYS A 124 0.268 -1.894 -3.645 1.00 21.42 H new ATOM 0 HZ2 LYS A 124 0.663 -0.391 -4.330 1.00 21.42 H new ATOM 0 HZ3 LYS A 124 -0.108 -0.459 -2.818 1.00 21.42 H new ATOM 1837 N ASN A 125 -4.193 2.130 -9.078 1.00 5.23 N ATOM 1838 CA ASN A 125 -5.107 3.264 -9.044 1.00 73.14 C ATOM 1839 C ASN A 125 -4.406 4.543 -9.494 1.00 23.24 C ATOM 1840 O ASN A 125 -3.177 4.623 -9.490 1.00 62.42 O ATOM 1841 CB ASN A 125 -5.672 3.448 -7.635 1.00 32.21 C ATOM 1842 CG ASN A 125 -7.178 3.629 -7.634 1.00 31.03 C ATOM 1843 OD1 ASN A 125 -7.685 4.703 -7.309 1.00 52.10 O ATOM 1844 ND2 ASN A 125 -7.901 2.577 -7.997 1.00 4.22 N ATOM 0 H ASN A 125 -3.228 2.374 -9.299 1.00 5.23 H new ATOM 0 HA ASN A 125 -5.926 3.059 -9.733 1.00 73.14 H new ATOM 0 HB2 ASN A 125 -5.413 2.581 -7.027 1.00 32.21 H new ATOM 0 HB3 ASN A 125 -5.204 4.316 -7.170 1.00 32.21 H new ATOM 0 HD21 ASN A 125 -8.919 2.639 -8.014 1.00 4.22 H new ATOM 0 HD22 ASN A 125 -7.439 1.706 -8.259 1.00 4.22 H new ATOM 1850 N ILE A 126 -5.195 5.540 -9.880 1.00 64.02 N ATOM 1851 CA ILE A 126 -4.650 6.814 -10.331 1.00 70.32 C ATOM 1852 C ILE A 126 -4.706 7.859 -9.221 1.00 10.40 C ATOM 1853 O ILE A 126 -4.680 7.524 -8.037 1.00 14.13 O ATOM 1854 CB ILE A 126 -5.408 7.347 -11.561 1.00 2.11 C ATOM 1855 CG1 ILE A 126 -6.129 6.204 -12.278 1.00 3.44 C ATOM 1856 CG2 ILE A 126 -4.450 8.054 -12.508 1.00 75.01 C ATOM 1857 CD1 ILE A 126 -7.549 5.994 -11.805 1.00 22.00 C ATOM 0 H ILE A 126 -6.214 5.490 -9.889 1.00 64.02 H new ATOM 0 HA ILE A 126 -3.611 6.633 -10.605 1.00 70.32 H new ATOM 0 HB ILE A 126 -6.154 8.068 -11.226 1.00 2.11 H new ATOM 0 HG12 ILE A 126 -6.138 6.406 -13.349 1.00 3.44 H new ATOM 0 HG13 ILE A 126 -5.566 5.282 -12.132 1.00 3.44 H new ATOM 0 HG21 ILE A 126 -5.001 8.425 -13.372 1.00 75.01 H new ATOM 0 HG22 ILE A 126 -3.979 8.890 -11.992 1.00 75.01 H new ATOM 0 HG23 ILE A 126 -3.683 7.354 -12.840 1.00 75.01 H new ATOM 0 HD11 ILE A 126 -7.998 5.168 -12.357 1.00 22.00 H new ATOM 0 HD12 ILE A 126 -7.547 5.760 -10.740 1.00 22.00 H new ATOM 0 HD13 ILE A 126 -8.128 6.902 -11.976 1.00 22.00 H new ATOM 1868 N PHE A 127 -4.785 9.126 -9.613 1.00 54.41 N ATOM 1869 CA PHE A 127 -4.846 10.221 -8.651 1.00 23.12 C ATOM 1870 C PHE A 127 -6.234 10.320 -8.027 1.00 51.33 C ATOM 1871 O PHE A 127 -6.866 11.375 -8.058 1.00 71.31 O ATOM 1872 CB PHE A 127 -4.483 11.544 -9.329 1.00 44.01 C ATOM 1873 CG PHE A 127 -5.144 11.733 -10.666 1.00 74.10 C ATOM 1874 CD1 PHE A 127 -6.409 12.291 -10.756 1.00 34.42 C ATOM 1875 CD2 PHE A 127 -4.499 11.352 -11.832 1.00 20.10 C ATOM 1876 CE1 PHE A 127 -7.018 12.466 -11.983 1.00 73.04 C ATOM 1877 CE2 PHE A 127 -5.104 11.526 -13.062 1.00 41.22 C ATOM 1878 CZ PHE A 127 -6.365 12.083 -13.138 1.00 64.43 C ATOM 0 H PHE A 127 -4.808 9.420 -10.589 1.00 54.41 H new ATOM 0 HA PHE A 127 -4.125 10.017 -7.859 1.00 23.12 H new ATOM 0 HB2 PHE A 127 -4.764 12.368 -8.674 1.00 44.01 H new ATOM 0 HB3 PHE A 127 -3.402 11.593 -9.457 1.00 44.01 H new ATOM 0 HD1 PHE A 127 -6.925 12.593 -9.856 1.00 34.42 H new ATOM 0 HD2 PHE A 127 -3.513 10.914 -11.779 1.00 20.10 H new ATOM 0 HE1 PHE A 127 -8.004 12.902 -12.039 1.00 73.04 H new ATOM 0 HE2 PHE A 127 -4.591 11.226 -13.964 1.00 41.22 H new ATOM 0 HZ PHE A 127 -6.840 12.219 -14.099 1.00 64.43 H new ATOM 1887 N GLU A 128 -6.702 9.212 -7.460 1.00 62.04 N ATOM 1888 CA GLU A 128 -8.016 9.174 -6.830 1.00 63.12 C ATOM 1889 C GLU A 128 -8.086 10.149 -5.658 1.00 45.05 C ATOM 1890 O GLU A 128 -9.165 10.598 -5.272 1.00 65.22 O ATOM 1891 CB GLU A 128 -8.334 7.757 -6.348 1.00 61.01 C ATOM 1892 CG GLU A 128 -9.766 7.584 -5.870 1.00 72.41 C ATOM 1893 CD GLU A 128 -10.267 6.162 -6.030 1.00 43.31 C ATOM 1894 OE1 GLU A 128 -9.944 5.317 -5.169 1.00 62.21 O ATOM 1895 OE2 GLU A 128 -10.984 5.894 -7.017 1.00 2.32 O ATOM 0 H GLU A 128 -6.191 8.330 -7.424 1.00 62.04 H new ATOM 0 HA GLU A 128 -8.756 9.472 -7.573 1.00 63.12 H new ATOM 0 HB2 GLU A 128 -8.143 7.055 -7.160 1.00 61.01 H new ATOM 0 HB3 GLU A 128 -7.655 7.497 -5.536 1.00 61.01 H new ATOM 0 HG2 GLU A 128 -9.832 7.873 -4.821 1.00 72.41 H new ATOM 0 HG3 GLU A 128 -10.415 8.259 -6.428 1.00 72.41 H new ATOM 1900 N LYS A 129 -6.927 10.471 -5.095 1.00 42.31 N ATOM 1901 CA LYS A 129 -6.854 11.393 -3.967 1.00 42.23 C ATOM 1902 C LYS A 129 -5.404 11.723 -3.628 1.00 25.21 C ATOM 1903 O LYS A 129 -4.816 11.165 -2.701 1.00 53.30 O ATOM 1904 CB LYS A 129 -7.551 10.792 -2.745 1.00 60.00 C ATOM 1905 CG LYS A 129 -8.944 11.349 -2.505 1.00 70.34 C ATOM 1906 CD LYS A 129 -9.043 12.045 -1.158 1.00 1.34 C ATOM 1907 CE LYS A 129 -10.253 12.963 -1.092 1.00 64.53 C ATOM 1908 NZ LYS A 129 -10.474 13.491 0.283 1.00 22.22 N ATOM 0 H LYS A 129 -6.025 10.107 -5.401 1.00 42.31 H new ATOM 0 HA LYS A 129 -7.362 12.315 -4.250 1.00 42.23 H new ATOM 0 HB2 LYS A 129 -7.617 9.711 -2.870 1.00 60.00 H new ATOM 0 HB3 LYS A 129 -6.939 10.974 -1.862 1.00 60.00 H new ATOM 0 HG2 LYS A 129 -9.197 12.052 -3.298 1.00 70.34 H new ATOM 0 HG3 LYS A 129 -9.673 10.540 -2.552 1.00 70.34 H new ATOM 0 HD2 LYS A 129 -9.107 11.299 -0.366 1.00 1.34 H new ATOM 0 HD3 LYS A 129 -8.136 12.623 -0.979 1.00 1.34 H new ATOM 0 HE2 LYS A 129 -10.116 13.795 -1.783 1.00 64.53 H new ATOM 0 HE3 LYS A 129 -11.139 12.420 -1.419 1.00 64.53 H new ATOM 0 HZ1 LYS A 129 -11.308 14.112 0.286 1.00 22.22 H new ATOM 0 HZ2 LYS A 129 -10.630 12.699 0.938 1.00 22.22 H new ATOM 0 HZ3 LYS A 129 -9.638 14.031 0.586 1.00 22.22 H new ATOM 1918 N PRO A 130 -4.812 12.652 -4.393 1.00 41.24 N ATOM 1919 CA PRO A 130 -3.424 13.078 -4.189 1.00 44.55 C ATOM 1920 C PRO A 130 -3.247 13.881 -2.906 1.00 13.42 C ATOM 1921 O PRO A 130 -4.199 14.469 -2.393 1.00 20.12 O ATOM 1922 CB PRO A 130 -3.140 13.954 -5.413 1.00 14.10 C ATOM 1923 CG PRO A 130 -4.477 14.455 -5.839 1.00 13.44 C ATOM 1924 CD PRO A 130 -5.453 13.359 -5.515 1.00 3.15 C ATOM 0 HA PRO A 130 -2.747 12.230 -4.088 1.00 44.55 H new ATOM 0 HB2 PRO A 130 -2.470 14.777 -5.164 1.00 14.10 H new ATOM 0 HB3 PRO A 130 -2.660 13.381 -6.207 1.00 14.10 H new ATOM 0 HG2 PRO A 130 -4.735 15.375 -5.314 1.00 13.44 H new ATOM 0 HG3 PRO A 130 -4.487 14.683 -6.905 1.00 13.44 H new ATOM 0 HD2 PRO A 130 -6.427 13.759 -5.234 1.00 3.15 H new ATOM 0 HD3 PRO A 130 -5.613 12.699 -6.367 1.00 3.15 H new ATOM 1929 N PHE A 131 -2.021 13.905 -2.394 1.00 72.50 N ATOM 1930 CA PHE A 131 -1.718 14.636 -1.168 1.00 42.33 C ATOM 1931 C PHE A 131 -0.265 14.427 -0.755 1.00 13.33 C ATOM 1932 O PHE A 131 0.403 13.513 -1.236 1.00 45.30 O ATOM 1933 CB PHE A 131 -2.650 14.191 -0.040 1.00 62.14 C ATOM 1934 CG PHE A 131 -3.645 15.240 0.366 1.00 3.24 C ATOM 1935 CD1 PHE A 131 -3.222 16.503 0.748 1.00 72.02 C ATOM 1936 CD2 PHE A 131 -5.003 14.963 0.367 1.00 34.10 C ATOM 1937 CE1 PHE A 131 -4.135 17.472 1.122 1.00 5.03 C ATOM 1938 CE2 PHE A 131 -5.920 15.928 0.740 1.00 3.11 C ATOM 1939 CZ PHE A 131 -5.486 17.183 1.118 1.00 32.42 C ATOM 0 H PHE A 131 -1.221 13.427 -2.809 1.00 72.50 H new ATOM 0 HA PHE A 131 -1.873 15.698 -1.360 1.00 42.33 H new ATOM 0 HB2 PHE A 131 -3.186 13.296 -0.355 1.00 62.14 H new ATOM 0 HB3 PHE A 131 -2.051 13.915 0.828 1.00 62.14 H new ATOM 0 HD1 PHE A 131 -2.167 16.733 0.754 1.00 72.02 H new ATOM 0 HD2 PHE A 131 -5.349 13.983 0.073 1.00 34.10 H new ATOM 0 HE1 PHE A 131 -3.793 18.453 1.417 1.00 5.03 H new ATOM 0 HE2 PHE A 131 -6.976 15.700 0.736 1.00 3.11 H new ATOM 0 HZ PHE A 131 -6.201 17.938 1.410 1.00 32.42 H new ATOM 1948 N MET A 132 0.219 15.284 0.138 1.00 72.22 N ATOM 1949 CA MET A 132 1.593 15.194 0.617 1.00 51.10 C ATOM 1950 C MET A 132 1.763 14.009 1.563 1.00 34.53 C ATOM 1951 O MET A 132 0.830 13.629 2.269 1.00 62.52 O ATOM 1952 CB MET A 132 1.996 16.489 1.325 1.00 63.42 C ATOM 1953 CG MET A 132 1.096 16.846 2.497 1.00 23.45 C ATOM 1954 SD MET A 132 0.709 18.605 2.565 1.00 60.40 S ATOM 1955 CE MET A 132 -0.243 18.801 1.061 1.00 3.44 C ATOM 0 H MET A 132 -0.320 16.049 0.544 1.00 72.22 H new ATOM 0 HA MET A 132 2.242 15.044 -0.246 1.00 51.10 H new ATOM 0 HB2 MET A 132 3.022 16.395 1.681 1.00 63.42 H new ATOM 0 HB3 MET A 132 1.982 17.307 0.605 1.00 63.42 H new ATOM 0 HG2 MET A 132 0.169 16.277 2.425 1.00 23.45 H new ATOM 0 HG3 MET A 132 1.581 16.549 3.427 1.00 23.45 H new ATOM 0 HE1 MET A 132 -0.067 19.793 0.646 1.00 3.44 H new ATOM 0 HE2 MET A 132 0.061 18.045 0.337 1.00 3.44 H new ATOM 0 HE3 MET A 132 -1.304 18.684 1.284 1.00 3.44 H new ATOM 1963 N ALA A 133 2.959 13.431 1.574 1.00 43.43 N ATOM 1964 CA ALA A 133 3.250 12.292 2.434 1.00 2.32 C ATOM 1965 C ALA A 133 4.755 12.104 2.606 1.00 71.45 C ATOM 1966 O ALA A 133 5.532 12.378 1.692 1.00 2.00 O ATOM 1967 CB ALA A 133 2.619 11.028 1.869 1.00 4.54 C ATOM 0 H ALA A 133 3.743 13.734 0.996 1.00 43.43 H new ATOM 0 HA ALA A 133 2.820 12.491 3.416 1.00 2.32 H new ATOM 0 HB1 ALA A 133 2.845 10.185 2.522 1.00 4.54 H new ATOM 0 HB2 ALA A 133 1.539 11.158 1.805 1.00 4.54 H new ATOM 0 HB3 ALA A 133 3.021 10.834 0.874 1.00 4.54 H new ATOM 1973 N ARG A 134 5.157 11.635 3.782 1.00 74.44 N ATOM 1974 CA ARG A 134 6.567 11.413 4.074 1.00 33.42 C ATOM 1975 C ARG A 134 6.815 9.966 4.490 1.00 24.31 C ATOM 1976 O ARG A 134 7.955 9.502 4.512 1.00 4.33 O ATOM 1977 CB ARG A 134 7.037 12.360 5.181 1.00 20.12 C ATOM 1978 CG ARG A 134 6.507 11.997 6.558 1.00 61.24 C ATOM 1979 CD ARG A 134 7.582 12.140 7.624 1.00 74.22 C ATOM 1980 NE ARG A 134 8.398 10.934 7.744 1.00 51.13 N ATOM 1981 CZ ARG A 134 8.053 9.884 8.479 1.00 50.03 C ATOM 1982 NH1 ARG A 134 6.913 9.890 9.157 1.00 3.30 N ATOM 1983 NH2 ARG A 134 8.848 8.823 8.538 1.00 71.42 N ATOM 0 H ARG A 134 4.526 11.401 4.548 1.00 74.44 H new ATOM 0 HA ARG A 134 7.136 11.615 3.166 1.00 33.42 H new ATOM 0 HB2 ARG A 134 8.127 12.360 5.209 1.00 20.12 H new ATOM 0 HB3 ARG A 134 6.724 13.375 4.936 1.00 20.12 H new ATOM 0 HG2 ARG A 134 5.661 12.639 6.804 1.00 61.24 H new ATOM 0 HG3 ARG A 134 6.137 10.972 6.548 1.00 61.24 H new ATOM 0 HD2 ARG A 134 8.222 12.988 7.382 1.00 74.22 H new ATOM 0 HD3 ARG A 134 7.114 12.358 8.584 1.00 74.22 H new ATOM 0 HE ARG A 134 9.281 10.897 7.235 1.00 51.13 H new ATOM 0 HH11 ARG A 134 6.299 10.703 9.114 1.00 3.30 H new ATOM 0 HH12 ARG A 134 6.651 9.082 9.721 1.00 3.30 H new ATOM 0 HH21 ARG A 134 9.726 8.814 8.018 1.00 71.42 H new ATOM 0 HH22 ARG A 134 8.582 8.017 9.103 1.00 71.42 H new ATOM 1994 N TYR A 135 5.740 9.258 4.820 1.00 53.31 N ATOM 1995 CA TYR A 135 5.841 7.865 5.238 1.00 61.32 C ATOM 1996 C TYR A 135 4.502 7.151 5.078 1.00 22.21 C ATOM 1997 O TYR A 135 3.493 7.562 5.652 1.00 23.43 O ATOM 1998 CB TYR A 135 6.307 7.779 6.693 1.00 52.45 C ATOM 1999 CG TYR A 135 6.061 6.430 7.329 1.00 42.01 C ATOM 2000 CD1 TYR A 135 6.921 5.363 7.098 1.00 51.11 C ATOM 2001 CD2 TYR A 135 4.968 6.222 8.161 1.00 64.52 C ATOM 2002 CE1 TYR A 135 6.700 4.128 7.677 1.00 54.23 C ATOM 2003 CE2 TYR A 135 4.739 4.990 8.745 1.00 54.31 C ATOM 2004 CZ TYR A 135 5.608 3.947 8.500 1.00 41.32 C ATOM 2005 OH TYR A 135 5.384 2.719 9.079 1.00 15.53 O ATOM 0 H TYR A 135 4.789 9.626 4.806 1.00 53.31 H new ATOM 0 HA TYR A 135 6.574 7.372 4.599 1.00 61.32 H new ATOM 0 HB2 TYR A 135 7.373 8.004 6.738 1.00 52.45 H new ATOM 0 HB3 TYR A 135 5.795 8.545 7.276 1.00 52.45 H new ATOM 0 HD1 TYR A 135 7.777 5.502 6.455 1.00 51.11 H new ATOM 0 HD2 TYR A 135 4.286 7.036 8.355 1.00 64.52 H new ATOM 0 HE1 TYR A 135 7.378 3.309 7.486 1.00 54.23 H new ATOM 0 HE2 TYR A 135 3.885 4.845 9.389 1.00 54.31 H new ATOM 0 HH TYR A 135 4.575 2.760 9.630 1.00 15.53 H new ATOM 2014 N VAL A 136 4.501 6.077 4.295 1.00 33.42 N ATOM 2015 CA VAL A 136 3.288 5.302 4.060 1.00 54.32 C ATOM 2016 C VAL A 136 3.457 3.861 4.529 1.00 35.22 C ATOM 2017 O VAL A 136 4.554 3.306 4.479 1.00 25.14 O ATOM 2018 CB VAL A 136 2.902 5.303 2.570 1.00 4.22 C ATOM 2019 CG1 VAL A 136 2.982 6.711 1.998 1.00 21.12 C ATOM 2020 CG2 VAL A 136 3.792 4.350 1.788 1.00 4.32 C ATOM 0 H VAL A 136 5.327 5.723 3.812 1.00 33.42 H new ATOM 0 HA VAL A 136 2.493 5.777 4.634 1.00 54.32 H new ATOM 0 HB VAL A 136 1.872 4.958 2.480 1.00 4.22 H new ATOM 0 HG11 VAL A 136 2.706 6.692 0.944 1.00 21.12 H new ATOM 0 HG12 VAL A 136 2.298 7.364 2.541 1.00 21.12 H new ATOM 0 HG13 VAL A 136 4.000 7.088 2.099 1.00 21.12 H new ATOM 0 HG21 VAL A 136 3.505 4.364 0.737 1.00 4.32 H new ATOM 0 HG22 VAL A 136 4.832 4.662 1.884 1.00 4.32 H new ATOM 0 HG23 VAL A 136 3.678 3.340 2.182 1.00 4.32 H new ATOM 2030 N ARG A 137 2.362 3.261 4.985 1.00 54.32 N ATOM 2031 CA ARG A 137 2.389 1.884 5.464 1.00 53.01 C ATOM 2032 C ARG A 137 1.338 1.040 4.749 1.00 33.22 C ATOM 2033 O ARG A 137 0.242 1.515 4.451 1.00 42.42 O ATOM 2034 CB ARG A 137 2.150 1.843 6.975 1.00 12.12 C ATOM 2035 CG ARG A 137 2.247 0.448 7.568 1.00 21.41 C ATOM 2036 CD ARG A 137 2.665 0.491 9.030 1.00 52.44 C ATOM 2037 NE ARG A 137 2.391 -0.769 9.715 1.00 75.34 N ATOM 2038 CZ ARG A 137 1.169 -1.176 10.043 1.00 10.03 C ATOM 2039 NH1 ARG A 137 0.116 -0.427 9.748 1.00 52.13 N ATOM 2040 NH2 ARG A 137 1.000 -2.335 10.666 1.00 74.41 N ATOM 0 H ARG A 137 1.446 3.707 5.033 1.00 54.32 H new ATOM 0 HA ARG A 137 3.373 1.469 5.247 1.00 53.01 H new ATOM 0 HB2 ARG A 137 2.877 2.489 7.467 1.00 12.12 H new ATOM 0 HB3 ARG A 137 1.163 2.252 7.190 1.00 12.12 H new ATOM 0 HG2 ARG A 137 1.284 -0.054 7.479 1.00 21.41 H new ATOM 0 HG3 ARG A 137 2.967 -0.141 7.000 1.00 21.41 H new ATOM 0 HD2 ARG A 137 3.730 0.715 9.096 1.00 52.44 H new ATOM 0 HD3 ARG A 137 2.137 1.300 9.534 1.00 52.44 H new ATOM 0 HE ARG A 137 3.180 -1.369 9.955 1.00 75.34 H new ATOM 0 HH11 ARG A 137 0.242 0.464 9.268 1.00 52.13 H new ATOM 0 HH12 ARG A 137 -0.821 -0.742 10.001 1.00 52.13 H new ATOM 0 HH21 ARG A 137 1.808 -2.914 10.894 1.00 74.41 H new ATOM 0 HH22 ARG A 137 0.062 -2.647 10.917 1.00 74.41 H new ATOM 2051 N VAL A 138 1.680 -0.215 4.477 1.00 30.04 N ATOM 2052 CA VAL A 138 0.767 -1.127 3.798 1.00 75.43 C ATOM 2053 C VAL A 138 0.672 -2.458 4.533 1.00 24.44 C ATOM 2054 O VAL A 138 1.656 -2.941 5.096 1.00 32.23 O ATOM 2055 CB VAL A 138 1.208 -1.384 2.345 1.00 23.24 C ATOM 2056 CG1 VAL A 138 0.589 -0.358 1.409 1.00 2.32 C ATOM 2057 CG2 VAL A 138 2.726 -1.368 2.239 1.00 50.04 C ATOM 0 H VAL A 138 2.583 -0.624 4.717 1.00 30.04 H new ATOM 0 HA VAL A 138 -0.212 -0.649 3.793 1.00 75.43 H new ATOM 0 HB VAL A 138 0.856 -2.371 2.046 1.00 23.24 H new ATOM 0 HG11 VAL A 138 0.912 -0.556 0.387 1.00 2.32 H new ATOM 0 HG12 VAL A 138 -0.498 -0.423 1.465 1.00 2.32 H new ATOM 0 HG13 VAL A 138 0.908 0.642 1.703 1.00 2.32 H new ATOM 0 HG21 VAL A 138 3.021 -1.551 1.206 1.00 50.04 H new ATOM 0 HG22 VAL A 138 3.103 -0.396 2.557 1.00 50.04 H new ATOM 0 HG23 VAL A 138 3.144 -2.146 2.879 1.00 50.04 H new ATOM 2067 N LEU A 139 -0.517 -3.051 4.523 1.00 33.44 N ATOM 2068 CA LEU A 139 -0.741 -4.330 5.189 1.00 13.12 C ATOM 2069 C LEU A 139 -1.686 -5.208 4.376 1.00 21.22 C ATOM 2070 O LEU A 139 -2.858 -4.888 4.181 1.00 74.10 O ATOM 2071 CB LEU A 139 -1.313 -4.105 6.589 1.00 32.31 C ATOM 2072 CG LEU A 139 -1.538 -5.360 7.432 1.00 63.33 C ATOM 2073 CD1 LEU A 139 -1.239 -5.081 8.897 1.00 61.11 C ATOM 2074 CD2 LEU A 139 -2.963 -5.867 7.265 1.00 44.24 C ATOM 0 H LEU A 139 -1.341 -2.667 4.061 1.00 33.44 H new ATOM 0 HA LEU A 139 0.218 -4.841 5.273 1.00 13.12 H new ATOM 0 HB2 LEU A 139 -0.639 -3.443 7.133 1.00 32.31 H new ATOM 0 HB3 LEU A 139 -2.264 -3.582 6.491 1.00 32.31 H new ATOM 0 HG LEU A 139 -0.854 -6.134 7.084 1.00 63.33 H new ATOM 0 HD11 LEU A 139 -1.405 -5.986 9.481 1.00 61.11 H new ATOM 0 HD12 LEU A 139 -0.201 -4.766 9.003 1.00 61.11 H new ATOM 0 HD13 LEU A 139 -1.897 -4.290 9.258 1.00 61.11 H new ATOM 0 HD21 LEU A 139 -3.105 -6.761 7.872 1.00 44.24 H new ATOM 0 HD22 LEU A 139 -3.663 -5.096 7.585 1.00 44.24 H new ATOM 0 HD23 LEU A 139 -3.143 -6.108 6.217 1.00 44.24 H new ATOM 2085 N PRO A 140 -1.166 -6.346 3.891 1.00 14.23 N ATOM 2086 CA PRO A 140 -1.947 -7.296 3.093 1.00 33.41 C ATOM 2087 C PRO A 140 -3.004 -8.018 3.923 1.00 41.12 C ATOM 2088 O PRO A 140 -2.766 -8.371 5.078 1.00 72.05 O ATOM 2089 CB PRO A 140 -0.894 -8.287 2.591 1.00 54.43 C ATOM 2090 CG PRO A 140 0.205 -8.213 3.594 1.00 24.25 C ATOM 2091 CD PRO A 140 0.224 -6.792 4.084 1.00 31.44 C ATOM 0 HA PRO A 140 -2.501 -6.800 2.296 1.00 33.41 H new ATOM 0 HB2 PRO A 140 -1.301 -9.296 2.523 1.00 54.43 H new ATOM 0 HB3 PRO A 140 -0.540 -8.018 1.596 1.00 54.43 H new ATOM 0 HG2 PRO A 140 0.030 -8.907 4.416 1.00 24.25 H new ATOM 0 HG3 PRO A 140 1.161 -8.484 3.146 1.00 24.25 H new ATOM 0 HD2 PRO A 140 0.524 -6.732 5.130 1.00 31.44 H new ATOM 0 HD3 PRO A 140 0.925 -6.180 3.516 1.00 31.44 H new ATOM 2096 N VAL A 141 -4.172 -8.234 3.326 1.00 24.13 N ATOM 2097 CA VAL A 141 -5.265 -8.915 4.009 1.00 3.45 C ATOM 2098 C VAL A 141 -5.477 -10.316 3.445 1.00 54.02 C ATOM 2099 O VAL A 141 -5.632 -11.281 4.194 1.00 62.22 O ATOM 2100 CB VAL A 141 -6.580 -8.122 3.893 1.00 34.21 C ATOM 2101 CG1 VAL A 141 -7.720 -8.878 4.558 1.00 64.32 C ATOM 2102 CG2 VAL A 141 -6.422 -6.737 4.502 1.00 11.41 C ATOM 0 H VAL A 141 -4.385 -7.947 2.371 1.00 24.13 H new ATOM 0 HA VAL A 141 -4.985 -8.988 5.060 1.00 3.45 H new ATOM 0 HB VAL A 141 -6.821 -8.004 2.836 1.00 34.21 H new ATOM 0 HG11 VAL A 141 -8.641 -8.302 4.466 1.00 64.32 H new ATOM 0 HG12 VAL A 141 -7.847 -9.846 4.073 1.00 64.32 H new ATOM 0 HG13 VAL A 141 -7.490 -9.029 5.613 1.00 64.32 H new ATOM 0 HG21 VAL A 141 -7.361 -6.190 4.411 1.00 11.41 H new ATOM 0 HG22 VAL A 141 -6.157 -6.831 5.555 1.00 11.41 H new ATOM 0 HG23 VAL A 141 -5.635 -6.196 3.977 1.00 11.41 H new ATOM 2112 N SER A 142 -5.483 -10.420 2.120 1.00 50.13 N ATOM 2113 CA SER A 142 -5.681 -11.702 1.455 1.00 4.20 C ATOM 2114 C SER A 142 -4.508 -12.022 0.533 1.00 3.53 C ATOM 2115 O SER A 142 -4.123 -11.207 -0.306 1.00 73.51 O ATOM 2116 CB SER A 142 -6.984 -11.691 0.655 1.00 71.54 C ATOM 2117 OG SER A 142 -8.027 -11.071 1.387 1.00 55.20 O ATOM 0 H SER A 142 -5.353 -9.632 1.486 1.00 50.13 H new ATOM 0 HA SER A 142 -5.741 -12.475 2.221 1.00 4.20 H new ATOM 0 HB2 SER A 142 -6.832 -11.162 -0.286 1.00 71.54 H new ATOM 0 HB3 SER A 142 -7.269 -12.713 0.404 1.00 71.54 H new ATOM 0 HG SER A 142 -8.849 -11.075 0.853 1.00 55.20 H new ATOM 2122 N TRP A 143 -3.944 -13.214 0.696 1.00 43.33 N ATOM 2123 CA TRP A 143 -2.814 -13.642 -0.122 1.00 54.21 C ATOM 2124 C TRP A 143 -3.185 -14.854 -0.970 1.00 12.03 C ATOM 2125 O TRP A 143 -4.033 -15.659 -0.584 1.00 15.15 O ATOM 2126 CB TRP A 143 -1.613 -13.973 0.765 1.00 12.23 C ATOM 2127 CG TRP A 143 -1.925 -14.969 1.841 1.00 44.10 C ATOM 2128 CD1 TRP A 143 -1.603 -16.296 1.846 1.00 21.41 C ATOM 2129 CD2 TRP A 143 -2.623 -14.718 3.065 1.00 11.12 C ATOM 2130 NE1 TRP A 143 -2.059 -16.885 3.002 1.00 62.03 N ATOM 2131 CE2 TRP A 143 -2.686 -15.938 3.766 1.00 61.43 C ATOM 2132 CE3 TRP A 143 -3.197 -13.581 3.639 1.00 41.15 C ATOM 2133 CZ2 TRP A 143 -3.304 -16.051 5.010 1.00 52.44 C ATOM 2134 CZ3 TRP A 143 -3.810 -13.694 4.873 1.00 52.12 C ATOM 2135 CH2 TRP A 143 -3.858 -14.921 5.547 1.00 30.41 C ATOM 0 H TRP A 143 -4.250 -13.900 1.386 1.00 43.33 H new ATOM 0 HA TRP A 143 -2.549 -12.822 -0.790 1.00 54.21 H new ATOM 0 HB2 TRP A 143 -0.807 -14.362 0.143 1.00 12.23 H new ATOM 0 HB3 TRP A 143 -1.246 -13.055 1.225 1.00 12.23 H new ATOM 0 HD1 TRP A 143 -1.069 -16.807 1.059 1.00 21.41 H new ATOM 0 HE1 TRP A 143 -1.948 -17.868 3.250 1.00 62.03 H new ATOM 0 HE3 TRP A 143 -3.162 -12.630 3.128 1.00 41.15 H new ATOM 0 HZ2 TRP A 143 -3.344 -16.996 5.531 1.00 52.44 H new ATOM 0 HZ3 TRP A 143 -4.259 -12.822 5.325 1.00 52.12 H new ATOM 0 HH2 TRP A 143 -4.342 -14.976 6.511 1.00 30.41 H new ATOM 2145 N HIS A 144 -2.544 -14.977 -2.129 1.00 22.41 N ATOM 2146 CA HIS A 144 -2.807 -16.093 -3.031 1.00 44.24 C ATOM 2147 C HIS A 144 -1.513 -16.818 -3.391 1.00 73.45 C ATOM 2148 O HIS A 144 -0.638 -16.256 -4.048 1.00 41.22 O ATOM 2149 CB HIS A 144 -3.497 -15.596 -4.303 1.00 21.34 C ATOM 2150 CG HIS A 144 -4.971 -15.860 -4.326 1.00 44.20 C ATOM 2151 ND1 HIS A 144 -5.766 -15.793 -3.201 1.00 43.21 N ATOM 2152 CD2 HIS A 144 -5.795 -16.191 -5.347 1.00 0.11 C ATOM 2153 CE1 HIS A 144 -7.014 -16.072 -3.529 1.00 23.33 C ATOM 2154 NE2 HIS A 144 -7.059 -16.317 -4.826 1.00 61.13 N ATOM 0 H HIS A 144 -1.840 -14.319 -2.465 1.00 22.41 H new ATOM 0 HA HIS A 144 -3.465 -16.795 -2.519 1.00 44.24 H new ATOM 0 HB2 HIS A 144 -3.326 -14.524 -4.404 1.00 21.34 H new ATOM 0 HB3 HIS A 144 -3.037 -16.075 -5.167 1.00 21.34 H new ATOM 0 HD1 HIS A 144 -5.440 -15.564 -2.262 1.00 43.21 H new ATOM 0 HD2 HIS A 144 -5.511 -16.330 -6.380 1.00 0.11 H new ATOM 0 HE1 HIS A 144 -7.855 -16.096 -2.852 1.00 23.33 H new ATOM 2161 N ASN A 145 -1.399 -18.068 -2.953 1.00 72.25 N ATOM 2162 CA ASN A 145 -0.212 -18.868 -3.227 1.00 35.40 C ATOM 2163 C ASN A 145 0.945 -18.453 -2.322 1.00 43.15 C ATOM 2164 O ASN A 145 1.500 -19.273 -1.591 1.00 43.04 O ATOM 2165 CB ASN A 145 0.197 -18.726 -4.694 1.00 51.41 C ATOM 2166 CG ASN A 145 0.884 -19.969 -5.227 1.00 74.54 C ATOM 2167 OD1 ASN A 145 1.701 -20.582 -4.540 1.00 11.21 O ATOM 2168 ND2 ASN A 145 0.553 -20.347 -6.456 1.00 63.45 N ATOM 0 H ASN A 145 -2.114 -18.548 -2.407 1.00 72.25 H new ATOM 0 HA ASN A 145 -0.453 -19.911 -3.023 1.00 35.40 H new ATOM 0 HB2 ASN A 145 -0.687 -18.517 -5.296 1.00 51.41 H new ATOM 0 HB3 ASN A 145 0.865 -17.871 -4.801 1.00 51.41 H new ATOM 0 HD21 ASN A 145 0.981 -21.176 -6.867 1.00 63.45 H new ATOM 0 HD22 ASN A 145 -0.130 -19.808 -6.989 1.00 63.45 H new ATOM 2174 N ARG A 146 1.303 -17.175 -2.379 1.00 51.04 N ATOM 2175 CA ARG A 146 2.394 -16.650 -1.566 1.00 3.41 C ATOM 2176 C ARG A 146 2.508 -15.136 -1.721 1.00 72.34 C ATOM 2177 O ARG A 146 2.542 -14.617 -2.837 1.00 22.32 O ATOM 2178 CB ARG A 146 3.715 -17.314 -1.958 1.00 33.03 C ATOM 2179 CG ARG A 146 4.276 -18.234 -0.886 1.00 60.52 C ATOM 2180 CD ARG A 146 4.866 -17.445 0.272 1.00 13.24 C ATOM 2181 NE ARG A 146 5.863 -18.216 1.009 1.00 22.42 N ATOM 2182 CZ ARG A 146 5.567 -19.267 1.767 1.00 74.14 C ATOM 2183 NH1 ARG A 146 4.308 -19.667 1.887 1.00 35.31 N ATOM 2184 NH2 ARG A 146 6.529 -19.917 2.407 1.00 11.25 N ATOM 0 H ARG A 146 0.854 -16.484 -2.979 1.00 51.04 H new ATOM 0 HA ARG A 146 2.177 -16.876 -0.522 1.00 3.41 H new ATOM 0 HB2 ARG A 146 3.567 -17.886 -2.874 1.00 33.03 H new ATOM 0 HB3 ARG A 146 4.449 -16.540 -2.181 1.00 33.03 H new ATOM 0 HG2 ARG A 146 3.486 -18.888 -0.517 1.00 60.52 H new ATOM 0 HG3 ARG A 146 5.044 -18.874 -1.320 1.00 60.52 H new ATOM 0 HD2 ARG A 146 5.323 -16.531 -0.108 1.00 13.24 H new ATOM 0 HD3 ARG A 146 4.067 -17.144 0.950 1.00 13.24 H new ATOM 0 HE ARG A 146 6.840 -17.933 0.938 1.00 22.42 H new ATOM 0 HH11 ARG A 146 3.565 -19.168 1.397 1.00 35.31 H new ATOM 0 HH12 ARG A 146 4.082 -20.474 2.469 1.00 35.31 H new ATOM 0 HH21 ARG A 146 7.498 -19.611 2.318 1.00 11.25 H new ATOM 0 HH22 ARG A 146 6.300 -20.723 2.988 1.00 11.25 H new ATOM 2195 N ILE A 147 2.566 -14.435 -0.594 1.00 34.41 N ATOM 2196 CA ILE A 147 2.677 -12.981 -0.604 1.00 33.01 C ATOM 2197 C ILE A 147 3.903 -12.529 -1.389 1.00 21.12 C ATOM 2198 O ILE A 147 4.998 -12.407 -0.838 1.00 73.12 O ATOM 2199 CB ILE A 147 2.758 -12.413 0.825 1.00 42.40 C ATOM 2200 CG1 ILE A 147 1.453 -12.679 1.578 1.00 44.30 C ATOM 2201 CG2 ILE A 147 3.058 -10.922 0.786 1.00 45.44 C ATOM 2202 CD1 ILE A 147 1.428 -14.013 2.291 1.00 10.22 C ATOM 0 H ILE A 147 2.538 -14.850 0.337 1.00 34.41 H new ATOM 0 HA ILE A 147 1.778 -12.599 -1.088 1.00 33.01 H new ATOM 0 HB ILE A 147 3.569 -12.914 1.353 1.00 42.40 H new ATOM 0 HG12 ILE A 147 1.295 -11.884 2.306 1.00 44.30 H new ATOM 0 HG13 ILE A 147 0.622 -12.637 0.874 1.00 44.30 H new ATOM 0 HG21 ILE A 147 3.112 -10.535 1.804 1.00 45.44 H new ATOM 0 HG22 ILE A 147 4.011 -10.756 0.283 1.00 45.44 H new ATOM 0 HG23 ILE A 147 2.266 -10.406 0.243 1.00 45.44 H new ATOM 0 HD11 ILE A 147 0.473 -14.134 2.803 1.00 10.22 H new ATOM 0 HD12 ILE A 147 1.555 -14.816 1.565 1.00 10.22 H new ATOM 0 HD13 ILE A 147 2.238 -14.051 3.019 1.00 10.22 H new ATOM 2213 N THR A 148 3.713 -12.280 -2.682 1.00 31.23 N ATOM 2214 CA THR A 148 4.803 -11.840 -3.543 1.00 2.35 C ATOM 2215 C THR A 148 4.329 -10.783 -4.534 1.00 62.45 C ATOM 2216 O THR A 148 3.689 -11.101 -5.537 1.00 71.20 O ATOM 2217 CB THR A 148 5.414 -13.021 -4.323 1.00 55.24 C ATOM 2218 OG1 THR A 148 5.264 -14.232 -3.574 1.00 11.24 O ATOM 2219 CG2 THR A 148 6.887 -12.775 -4.610 1.00 15.43 C ATOM 0 H THR A 148 2.814 -12.376 -3.155 1.00 31.23 H new ATOM 0 HA THR A 148 5.565 -11.409 -2.893 1.00 2.35 H new ATOM 0 HB THR A 148 4.886 -13.114 -5.272 1.00 55.24 H new ATOM 0 HG1 THR A 148 4.311 -14.433 -3.464 1.00 11.24 H new ATOM 0 HG21 THR A 148 7.297 -13.622 -5.161 1.00 15.43 H new ATOM 0 HG22 THR A 148 6.995 -11.868 -5.205 1.00 15.43 H new ATOM 0 HG23 THR A 148 7.426 -12.659 -3.670 1.00 15.43 H new ATOM 2227 N LEU A 149 4.646 -9.525 -4.247 1.00 24.23 N ATOM 2228 CA LEU A 149 4.253 -8.420 -5.114 1.00 30.24 C ATOM 2229 C LEU A 149 5.049 -7.162 -4.786 1.00 53.41 C ATOM 2230 O LEU A 149 6.027 -7.210 -4.039 1.00 2.01 O ATOM 2231 CB LEU A 149 2.756 -8.142 -4.971 1.00 73.44 C ATOM 2232 CG LEU A 149 2.325 -7.428 -3.688 1.00 2.15 C ATOM 2233 CD1 LEU A 149 0.929 -6.846 -3.844 1.00 11.02 C ATOM 2234 CD2 LEU A 149 2.378 -8.383 -2.504 1.00 32.43 C ATOM 0 H LEU A 149 5.174 -9.245 -3.420 1.00 24.23 H new ATOM 0 HA LEU A 149 4.467 -8.705 -6.144 1.00 30.24 H new ATOM 0 HB2 LEU A 149 2.435 -7.542 -5.822 1.00 73.44 H new ATOM 0 HB3 LEU A 149 2.223 -9.091 -5.031 1.00 73.44 H new ATOM 0 HG LEU A 149 3.018 -6.608 -3.500 1.00 2.15 H new ATOM 0 HD11 LEU A 149 0.640 -6.342 -2.922 1.00 11.02 H new ATOM 0 HD12 LEU A 149 0.923 -6.130 -4.666 1.00 11.02 H new ATOM 0 HD13 LEU A 149 0.222 -7.648 -4.056 1.00 11.02 H new ATOM 0 HD21 LEU A 149 2.068 -7.859 -1.600 1.00 32.43 H new ATOM 0 HD22 LEU A 149 1.707 -9.223 -2.684 1.00 32.43 H new ATOM 0 HD23 LEU A 149 3.396 -8.752 -2.379 1.00 32.43 H new ATOM 2245 N ARG A 150 4.624 -6.035 -5.349 1.00 43.02 N ATOM 2246 CA ARG A 150 5.296 -4.762 -5.116 1.00 21.34 C ATOM 2247 C ARG A 150 4.296 -3.610 -5.120 1.00 10.32 C ATOM 2248 O ARG A 150 3.441 -3.520 -6.001 1.00 63.43 O ATOM 2249 CB ARG A 150 6.368 -4.526 -6.181 1.00 32.02 C ATOM 2250 CG ARG A 150 5.835 -4.573 -7.604 1.00 21.44 C ATOM 2251 CD ARG A 150 5.773 -3.186 -8.223 1.00 35.31 C ATOM 2252 NE ARG A 150 6.079 -3.210 -9.651 1.00 74.43 N ATOM 2253 CZ ARG A 150 5.901 -2.169 -10.456 1.00 42.22 C ATOM 2254 NH1 ARG A 150 5.423 -1.029 -9.978 1.00 55.11 N ATOM 2255 NH2 ARG A 150 6.203 -2.267 -11.745 1.00 4.10 N ATOM 0 H ARG A 150 3.817 -5.978 -5.970 1.00 43.02 H new ATOM 0 HA ARG A 150 5.770 -4.804 -4.136 1.00 21.34 H new ATOM 0 HB2 ARG A 150 6.832 -3.555 -6.008 1.00 32.02 H new ATOM 0 HB3 ARG A 150 7.150 -5.277 -6.070 1.00 32.02 H new ATOM 0 HG2 ARG A 150 6.473 -5.215 -8.211 1.00 21.44 H new ATOM 0 HG3 ARG A 150 4.840 -5.018 -7.606 1.00 21.44 H new ATOM 0 HD2 ARG A 150 4.779 -2.766 -8.072 1.00 35.31 H new ATOM 0 HD3 ARG A 150 6.477 -2.529 -7.712 1.00 35.31 H new ATOM 0 HE ARG A 150 6.449 -4.072 -10.051 1.00 74.43 H new ATOM 0 HH11 ARG A 150 5.190 -0.949 -8.988 1.00 55.11 H new ATOM 0 HH12 ARG A 150 5.288 -0.232 -10.600 1.00 55.11 H new ATOM 0 HH21 ARG A 150 6.572 -3.142 -12.117 1.00 4.10 H new ATOM 0 HH22 ARG A 150 6.066 -1.467 -12.363 1.00 4.10 H new ATOM 2266 N LEU A 151 4.411 -2.731 -4.131 1.00 65.41 N ATOM 2267 CA LEU A 151 3.517 -1.584 -4.019 1.00 41.22 C ATOM 2268 C LEU A 151 4.259 -0.284 -4.315 1.00 71.20 C ATOM 2269 O LEU A 151 4.878 0.303 -3.427 1.00 51.31 O ATOM 2270 CB LEU A 151 2.900 -1.526 -2.621 1.00 15.12 C ATOM 2271 CG LEU A 151 2.197 -2.798 -2.145 1.00 35.54 C ATOM 2272 CD1 LEU A 151 3.196 -3.756 -1.513 1.00 51.45 C ATOM 2273 CD2 LEU A 151 1.088 -2.457 -1.160 1.00 14.41 C ATOM 0 H LEU A 151 5.115 -2.791 -3.395 1.00 65.41 H new ATOM 0 HA LEU A 151 2.721 -1.702 -4.755 1.00 41.22 H new ATOM 0 HB2 LEU A 151 3.687 -1.281 -1.908 1.00 15.12 H new ATOM 0 HB3 LEU A 151 2.182 -0.707 -2.596 1.00 15.12 H new ATOM 0 HG LEU A 151 1.751 -3.289 -3.010 1.00 35.54 H new ATOM 0 HD11 LEU A 151 2.677 -4.655 -1.180 1.00 51.45 H new ATOM 0 HD12 LEU A 151 3.956 -4.026 -2.247 1.00 51.45 H new ATOM 0 HD13 LEU A 151 3.672 -3.274 -0.659 1.00 51.45 H new ATOM 0 HD21 LEU A 151 0.598 -3.374 -0.832 1.00 14.41 H new ATOM 0 HD22 LEU A 151 1.513 -1.943 -0.297 1.00 14.41 H new ATOM 0 HD23 LEU A 151 0.358 -1.809 -1.645 1.00 14.41 H new ATOM 2284 N GLU A 152 4.191 0.160 -5.566 1.00 3.23 N ATOM 2285 CA GLU A 152 4.856 1.391 -5.977 1.00 31.23 C ATOM 2286 C GLU A 152 3.873 2.557 -6.002 1.00 72.22 C ATOM 2287 O GLU A 152 2.705 2.393 -6.356 1.00 70.13 O ATOM 2288 CB GLU A 152 5.494 1.217 -7.356 1.00 65.52 C ATOM 2289 CG GLU A 152 6.703 0.296 -7.357 1.00 72.23 C ATOM 2290 CD GLU A 152 7.832 0.816 -6.488 1.00 20.33 C ATOM 2291 OE1 GLU A 152 8.585 1.695 -6.955 1.00 42.11 O ATOM 2292 OE2 GLU A 152 7.961 0.343 -5.339 1.00 25.23 O ATOM 0 H GLU A 152 3.682 -0.314 -6.312 1.00 3.23 H new ATOM 0 HA GLU A 152 5.637 1.612 -5.250 1.00 31.23 H new ATOM 0 HB2 GLU A 152 4.747 0.823 -8.045 1.00 65.52 H new ATOM 0 HB3 GLU A 152 5.792 2.195 -7.735 1.00 65.52 H new ATOM 0 HG2 GLU A 152 6.404 -0.691 -7.005 1.00 72.23 H new ATOM 0 HG3 GLU A 152 7.062 0.175 -8.379 1.00 72.23 H new ATOM 2297 N LEU A 153 4.354 3.736 -5.623 1.00 72.40 N ATOM 2298 CA LEU A 153 3.519 4.933 -5.601 1.00 63.42 C ATOM 2299 C LEU A 153 4.016 5.963 -6.610 1.00 62.42 C ATOM 2300 O LEU A 153 5.194 5.975 -6.971 1.00 42.31 O ATOM 2301 CB LEU A 153 3.504 5.542 -4.198 1.00 65.24 C ATOM 2302 CG LEU A 153 4.713 6.399 -3.826 1.00 21.04 C ATOM 2303 CD1 LEU A 153 6.005 5.637 -4.080 1.00 74.12 C ATOM 2304 CD2 LEU A 153 4.702 7.707 -4.604 1.00 60.13 C ATOM 0 H LEU A 153 5.318 3.889 -5.327 1.00 72.40 H new ATOM 0 HA LEU A 153 2.505 4.644 -5.876 1.00 63.42 H new ATOM 0 HB2 LEU A 153 2.607 6.153 -4.098 1.00 65.24 H new ATOM 0 HB3 LEU A 153 3.421 4.732 -3.473 1.00 65.24 H new ATOM 0 HG LEU A 153 4.654 6.632 -2.763 1.00 21.04 H new ATOM 0 HD11 LEU A 153 6.856 6.263 -3.809 1.00 74.12 H new ATOM 0 HD12 LEU A 153 6.016 4.729 -3.477 1.00 74.12 H new ATOM 0 HD13 LEU A 153 6.070 5.373 -5.135 1.00 74.12 H new ATOM 0 HD21 LEU A 153 5.571 8.303 -4.325 1.00 60.13 H new ATOM 0 HD22 LEU A 153 4.735 7.495 -5.673 1.00 60.13 H new ATOM 0 HD23 LEU A 153 3.792 8.261 -4.372 1.00 60.13 H new ATOM 2315 N LEU A 154 3.112 6.825 -7.061 1.00 0.30 N ATOM 2316 CA LEU A 154 3.459 7.862 -8.027 1.00 24.02 C ATOM 2317 C LEU A 154 3.123 9.247 -7.484 1.00 13.45 C ATOM 2318 O LEU A 154 2.178 9.411 -6.714 1.00 0.52 O ATOM 2319 CB LEU A 154 2.720 7.626 -9.346 1.00 12.05 C ATOM 2320 CG LEU A 154 2.547 6.166 -9.765 1.00 64.11 C ATOM 2321 CD1 LEU A 154 1.536 6.052 -10.895 1.00 64.23 C ATOM 2322 CD2 LEU A 154 3.883 5.568 -10.181 1.00 21.21 C ATOM 0 H LEU A 154 2.133 6.827 -6.774 1.00 0.30 H new ATOM 0 HA LEU A 154 4.533 7.813 -8.205 1.00 24.02 H new ATOM 0 HB2 LEU A 154 1.733 8.082 -9.273 1.00 12.05 H new ATOM 0 HB3 LEU A 154 3.255 8.150 -10.138 1.00 12.05 H new ATOM 0 HG LEU A 154 2.171 5.605 -8.910 1.00 64.11 H new ATOM 0 HD11 LEU A 154 1.426 5.006 -11.180 1.00 64.23 H new ATOM 0 HD12 LEU A 154 0.574 6.441 -10.563 1.00 64.23 H new ATOM 0 HD13 LEU A 154 1.883 6.627 -11.753 1.00 64.23 H new ATOM 0 HD21 LEU A 154 3.740 4.528 -10.476 1.00 21.21 H new ATOM 0 HD22 LEU A 154 4.288 6.131 -11.022 1.00 21.21 H new ATOM 0 HD23 LEU A 154 4.579 5.615 -9.344 1.00 21.21 H new ATOM 2333 N GLY A 155 3.904 10.243 -7.892 1.00 12.23 N ATOM 2334 CA GLY A 155 3.673 11.601 -7.439 1.00 75.12 C ATOM 2335 C GLY A 155 3.851 12.621 -8.546 1.00 50.43 C ATOM 2336 O GLY A 155 4.486 12.340 -9.563 1.00 45.21 O ATOM 0 H GLY A 155 4.693 10.133 -8.529 1.00 12.23 H new ATOM 0 HA2 GLY A 155 2.663 11.679 -7.036 1.00 75.12 H new ATOM 0 HA3 GLY A 155 4.360 11.830 -6.624 1.00 75.12 H new ATOM 2340 N CYS A 156 3.287 13.808 -8.351 1.00 33.21 N ATOM 2341 CA CYS A 156 3.383 14.873 -9.342 1.00 32.24 C ATOM 2342 C CYS A 156 4.790 15.463 -9.371 1.00 42.30 C ATOM 2343 O CYS A 156 5.230 16.000 -10.389 1.00 43.04 O ATOM 2344 CB CYS A 156 2.363 15.973 -9.040 1.00 2.31 C ATOM 2345 SG CYS A 156 1.316 16.426 -10.461 1.00 15.34 S ATOM 0 H CYS A 156 2.758 14.057 -7.515 1.00 33.21 H new ATOM 0 HA CYS A 156 3.167 14.445 -10.321 1.00 32.24 H new ATOM 0 HB2 CYS A 156 1.723 15.645 -8.221 1.00 2.31 H new ATOM 0 HB3 CYS A 156 2.893 16.861 -8.695 1.00 2.31 H new ATOM 2349 N LEU A 157 5.493 15.360 -8.248 1.00 61.43 N ATOM 2350 CA LEU A 157 6.850 15.883 -8.144 1.00 71.11 C ATOM 2351 C LEU A 157 6.867 17.397 -8.330 1.00 65.33 C ATOM 2352 O LEU A 157 7.877 17.970 -8.738 1.00 74.32 O ATOM 2353 CB LEU A 157 7.755 15.219 -9.183 1.00 42.24 C ATOM 2354 CG LEU A 157 9.003 14.524 -8.641 1.00 30.01 C ATOM 2355 CD1 LEU A 157 9.794 15.467 -7.747 1.00 42.23 C ATOM 2356 CD2 LEU A 157 8.623 13.261 -7.881 1.00 3.44 C ATOM 0 H LEU A 157 5.145 14.919 -7.397 1.00 61.43 H new ATOM 0 HA LEU A 157 7.225 15.655 -7.146 1.00 71.11 H new ATOM 0 HB2 LEU A 157 7.165 14.486 -9.733 1.00 42.24 H new ATOM 0 HB3 LEU A 157 8.069 15.978 -9.900 1.00 42.24 H new ATOM 0 HG LEU A 157 9.633 14.242 -9.485 1.00 30.01 H new ATOM 0 HD11 LEU A 157 10.679 14.954 -7.370 1.00 42.23 H new ATOM 0 HD12 LEU A 157 10.098 16.343 -8.321 1.00 42.23 H new ATOM 0 HD13 LEU A 157 9.172 15.781 -6.909 1.00 42.23 H new ATOM 0 HD21 LEU A 157 9.524 12.779 -7.502 1.00 3.44 H new ATOM 0 HD22 LEU A 157 7.972 13.521 -7.046 1.00 3.44 H new ATOM 0 HD23 LEU A 157 8.100 12.577 -8.550 1.00 3.44 H new ATOM 2367 N GLU A 158 5.742 18.038 -8.028 1.00 62.34 N ATOM 2368 CA GLU A 158 5.629 19.485 -8.162 1.00 72.14 C ATOM 2369 C GLU A 158 5.404 20.142 -6.803 1.00 63.21 C ATOM 2370 O GLU A 158 6.208 20.959 -6.356 1.00 5.04 O ATOM 2371 CB GLU A 158 4.483 19.844 -9.110 1.00 43.33 C ATOM 2372 CG GLU A 158 4.717 21.127 -9.891 1.00 63.10 C ATOM 2373 CD GLU A 158 3.603 22.137 -9.700 1.00 50.14 C ATOM 2374 OE1 GLU A 158 3.519 22.727 -8.603 1.00 73.22 O ATOM 2375 OE2 GLU A 158 2.815 22.338 -10.648 1.00 53.41 O ATOM 0 H GLU A 158 4.897 17.578 -7.689 1.00 62.34 H new ATOM 0 HA GLU A 158 6.565 19.859 -8.577 1.00 72.14 H new ATOM 0 HB2 GLU A 158 4.333 19.024 -9.812 1.00 43.33 H new ATOM 0 HB3 GLU A 158 3.563 19.942 -8.533 1.00 43.33 H new ATOM 0 HG2 GLU A 158 5.662 21.571 -9.579 1.00 63.10 H new ATOM 0 HG3 GLU A 158 4.811 20.891 -10.951 1.00 63.10 H new