USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1063 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 Single : A 5 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.4) USER MOD Single : A 8 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0386 (180deg=-0.402) USER MOD Single : A 27 SER OG : rot -29:sc= 0.179 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc=-0.00738 (180deg=-0.0623) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= 0.849 (180deg=0.0747) USER MOD Single : A 50 GLN : amide:sc= -0.528 K(o=-0.53,f=0) USER MOD Single : A 52 THR OG1 : rot -70:sc= 1.19 USER MOD Single : A 55 ASN : amide:sc= -0.712 K(o=-0.71,f=-1.7!) USER MOD Single : A 57 HIS : no HE2:sc=0.000917 X(o=0.00092,f=-0.026) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -1.23 K(o=-1.2,f=0.065) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 105 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : B 108 HIS : no HE2:sc= -0.438 K(o=-0.44,f=-2.1) USER MOD Single : B 116 LYS NZ :NH3+ -177:sc= -0.4 (180deg=-0.42) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 165:sc= -0.035 (180deg=-0.251) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 180:sc= 0.0249 USER MOD Single : B 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.412) USER MOD Single : B 150 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.13) USER MOD Single : B 152 THR OG1 : rot -73:sc= 0.999 USER MOD Single : B 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 157 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-1) USER MOD Single : B 160 TYR OH : rot 180:sc= 0 USER MOD Single : B 164 HIS : no HE2:sc= -0.515 X(o=-0.51,f=-0.97) USER MOD Single : B 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 9.929 -11.993 -7.339 1.00 41.43 N ATOM 69 CA GLN A 5 8.856 -12.397 -6.414 1.00 40.44 C ATOM 70 C GLN A 5 7.797 -11.294 -6.284 1.00 22.25 C ATOM 71 O GLN A 5 6.681 -11.565 -5.837 1.00 61.42 O ATOM 72 CB GLN A 5 9.443 -12.782 -5.018 1.00 73.41 C ATOM 73 CG GLN A 5 10.566 -11.884 -4.436 1.00 63.33 C ATOM 74 CD GLN A 5 10.232 -10.395 -4.334 1.00 32.31 C ATOM 75 OE1 GLN A 5 10.555 -9.615 -5.218 1.00 5.43 O ATOM 76 NE2 GLN A 5 9.554 -9.996 -3.280 1.00 75.12 N ATOM 0 HA GLN A 5 8.367 -13.279 -6.828 1.00 40.44 H new ATOM 0 HB2 GLN A 5 8.622 -12.798 -4.302 1.00 73.41 H new ATOM 0 HB3 GLN A 5 9.828 -13.800 -5.085 1.00 73.41 H new ATOM 0 HG2 GLN A 5 10.821 -12.250 -3.442 1.00 63.33 H new ATOM 0 HG3 GLN A 5 11.456 -11.997 -5.056 1.00 63.33 H new ATOM 0 HE21 GLN A 5 9.296 -10.666 -2.556 1.00 75.12 H new ATOM 0 HE22 GLN A 5 9.286 -9.016 -3.187 1.00 75.12 H new ATOM 85 N LEU A 6 8.189 -10.061 -6.679 1.00 23.44 N ATOM 86 CA LEU A 6 7.419 -8.833 -6.436 1.00 42.03 C ATOM 87 C LEU A 6 6.035 -8.919 -7.124 1.00 52.20 C ATOM 88 O LEU A 6 5.924 -9.313 -8.290 1.00 71.24 O ATOM 89 CB LEU A 6 8.263 -7.585 -6.898 1.00 4.34 C ATOM 90 CG LEU A 6 7.914 -6.193 -6.250 1.00 51.35 C ATOM 91 CD1 LEU A 6 8.992 -5.134 -6.572 1.00 73.44 C ATOM 92 CD2 LEU A 6 6.530 -5.680 -6.678 1.00 30.11 C ATOM 0 H LEU A 6 9.061 -9.896 -7.181 1.00 23.44 H new ATOM 0 HA LEU A 6 7.224 -8.716 -5.370 1.00 42.03 H new ATOM 0 HB2 LEU A 6 9.313 -7.796 -6.697 1.00 4.34 H new ATOM 0 HB3 LEU A 6 8.158 -7.489 -7.979 1.00 4.34 H new ATOM 0 HG LEU A 6 7.891 -6.355 -5.172 1.00 51.35 H new ATOM 0 HD11 LEU A 6 8.720 -4.185 -6.109 1.00 73.44 H new ATOM 0 HD12 LEU A 6 9.955 -5.465 -6.182 1.00 73.44 H new ATOM 0 HD13 LEU A 6 9.063 -5.004 -7.652 1.00 73.44 H new ATOM 0 HD21 LEU A 6 6.336 -4.717 -6.205 1.00 30.11 H new ATOM 0 HD22 LEU A 6 6.504 -5.563 -7.761 1.00 30.11 H new ATOM 0 HD23 LEU A 6 5.766 -6.395 -6.372 1.00 30.11 H new ATOM 104 N LEU A 7 5.003 -8.531 -6.367 1.00 70.22 N ATOM 105 CA LEU A 7 3.596 -8.656 -6.761 1.00 62.44 C ATOM 106 C LEU A 7 2.817 -7.398 -6.368 1.00 34.21 C ATOM 107 O LEU A 7 3.378 -6.426 -5.840 1.00 3.21 O ATOM 108 CB LEU A 7 2.946 -9.979 -6.178 1.00 42.34 C ATOM 109 CG LEU A 7 2.952 -10.272 -4.612 1.00 11.33 C ATOM 110 CD1 LEU A 7 4.368 -10.303 -4.003 1.00 35.43 C ATOM 111 CD2 LEU A 7 2.023 -9.335 -3.800 1.00 12.55 C ATOM 0 H LEU A 7 5.125 -8.113 -5.445 1.00 70.22 H new ATOM 0 HA LEU A 7 3.547 -8.744 -7.846 1.00 62.44 H new ATOM 0 HB2 LEU A 7 1.905 -9.994 -6.502 1.00 42.34 H new ATOM 0 HB3 LEU A 7 3.443 -10.820 -6.663 1.00 42.34 H new ATOM 0 HG LEU A 7 2.540 -11.278 -4.529 1.00 11.33 H new ATOM 0 HD11 LEU A 7 4.300 -10.507 -2.934 1.00 35.43 H new ATOM 0 HD12 LEU A 7 4.954 -11.085 -4.485 1.00 35.43 H new ATOM 0 HD13 LEU A 7 4.852 -9.339 -4.158 1.00 35.43 H new ATOM 0 HD21 LEU A 7 2.079 -9.594 -2.743 1.00 12.55 H new ATOM 0 HD22 LEU A 7 2.339 -8.301 -3.938 1.00 12.55 H new ATOM 0 HD23 LEU A 7 0.996 -9.450 -4.148 1.00 12.55 H new ATOM 123 N HIS A 8 1.517 -7.430 -6.651 1.00 2.12 N ATOM 124 CA HIS A 8 0.596 -6.343 -6.326 1.00 63.23 C ATOM 125 C HIS A 8 0.127 -6.492 -4.870 1.00 24.40 C ATOM 126 O HIS A 8 -0.576 -7.452 -4.554 1.00 43.13 O ATOM 127 CB HIS A 8 -0.613 -6.373 -7.298 1.00 62.21 C ATOM 128 CG HIS A 8 -0.282 -6.146 -8.751 1.00 5.52 C ATOM 129 ND1 HIS A 8 -1.251 -5.947 -9.711 1.00 54.52 N ATOM 130 CD2 HIS A 8 0.901 -6.106 -9.409 1.00 51.22 C ATOM 131 CE1 HIS A 8 -0.678 -5.803 -10.887 1.00 34.45 C ATOM 132 NE2 HIS A 8 0.625 -5.895 -10.731 1.00 60.54 N ATOM 0 H HIS A 8 1.069 -8.219 -7.117 1.00 2.12 H new ATOM 0 HA HIS A 8 1.102 -5.384 -6.436 1.00 63.23 H new ATOM 0 HB2 HIS A 8 -1.110 -7.339 -7.203 1.00 62.21 H new ATOM 0 HB3 HIS A 8 -1.329 -5.614 -6.983 1.00 62.21 H new ATOM 0 HD2 HIS A 8 1.881 -6.220 -8.970 1.00 51.22 H new ATOM 0 HE1 HIS A 8 -1.191 -5.637 -11.823 1.00 34.45 H new ATOM 0 HE2 HIS A 8 1.318 -5.821 -11.476 1.00 60.54 H new ATOM 141 N ILE A 9 0.549 -5.567 -3.981 1.00 12.44 N ATOM 142 CA ILE A 9 0.135 -5.585 -2.558 1.00 25.35 C ATOM 143 C ILE A 9 -1.370 -5.277 -2.438 1.00 54.31 C ATOM 144 O ILE A 9 -1.952 -4.646 -3.316 1.00 2.35 O ATOM 145 CB ILE A 9 0.941 -4.555 -1.671 1.00 22.25 C ATOM 146 CG1 ILE A 9 0.582 -3.077 -2.047 1.00 53.23 C ATOM 147 CG2 ILE A 9 2.466 -4.810 -1.780 1.00 50.44 C ATOM 148 CD1 ILE A 9 1.258 -2.007 -1.210 1.00 41.12 C ATOM 0 H ILE A 9 1.175 -4.799 -4.222 1.00 12.44 H new ATOM 0 HA ILE A 9 0.352 -6.586 -2.186 1.00 25.35 H new ATOM 0 HB ILE A 9 0.649 -4.706 -0.632 1.00 22.25 H new ATOM 0 HG12 ILE A 9 0.842 -2.913 -3.093 1.00 53.23 H new ATOM 0 HG13 ILE A 9 -0.497 -2.951 -1.963 1.00 53.23 H new ATOM 0 HG21 ILE A 9 3.001 -4.089 -1.161 1.00 50.44 H new ATOM 0 HG22 ILE A 9 2.691 -5.820 -1.438 1.00 50.44 H new ATOM 0 HG23 ILE A 9 2.780 -4.700 -2.818 1.00 50.44 H new ATOM 0 HD11 ILE A 9 0.941 -1.022 -1.553 1.00 41.12 H new ATOM 0 HD12 ILE A 9 0.980 -2.134 -0.164 1.00 41.12 H new ATOM 0 HD13 ILE A 9 2.340 -2.095 -1.311 1.00 41.12 H new ATOM 160 N VAL A 10 -1.976 -5.695 -1.336 1.00 45.44 N ATOM 161 CA VAL A 10 -3.422 -5.530 -1.090 1.00 55.22 C ATOM 162 C VAL A 10 -3.654 -4.523 0.040 1.00 32.41 C ATOM 163 O VAL A 10 -3.048 -4.614 1.113 1.00 44.13 O ATOM 164 CB VAL A 10 -4.106 -6.917 -0.773 1.00 2.14 C ATOM 165 CG1 VAL A 10 -4.468 -7.652 -2.076 1.00 61.24 C ATOM 166 CG2 VAL A 10 -3.185 -7.795 0.115 1.00 41.15 C ATOM 0 H VAL A 10 -1.484 -6.163 -0.575 1.00 45.44 H new ATOM 0 HA VAL A 10 -3.885 -5.140 -1.996 1.00 55.22 H new ATOM 0 HB VAL A 10 -5.026 -6.726 -0.221 1.00 2.14 H new ATOM 0 HG11 VAL A 10 -4.938 -8.606 -1.837 1.00 61.24 H new ATOM 0 HG12 VAL A 10 -5.159 -7.042 -2.658 1.00 61.24 H new ATOM 0 HG13 VAL A 10 -3.563 -7.829 -2.657 1.00 61.24 H new ATOM 0 HG21 VAL A 10 -3.677 -8.746 0.321 1.00 41.15 H new ATOM 0 HG22 VAL A 10 -2.245 -7.978 -0.405 1.00 41.15 H new ATOM 0 HG23 VAL A 10 -2.986 -7.279 1.054 1.00 41.15 H new ATOM 176 N VAL A 11 -4.516 -3.540 -0.241 1.00 14.24 N ATOM 177 CA VAL A 11 -4.870 -2.448 0.687 1.00 14.23 C ATOM 178 C VAL A 11 -6.396 -2.222 0.634 1.00 61.23 C ATOM 179 O VAL A 11 -7.048 -2.579 -0.348 1.00 53.00 O ATOM 180 CB VAL A 11 -4.121 -1.096 0.339 1.00 62.10 C ATOM 181 CG1 VAL A 11 -2.582 -1.245 0.417 1.00 73.03 C ATOM 182 CG2 VAL A 11 -4.554 -0.555 -1.042 1.00 0.45 C ATOM 0 H VAL A 11 -5.000 -3.475 -1.137 1.00 14.24 H new ATOM 0 HA VAL A 11 -4.557 -2.743 1.688 1.00 14.23 H new ATOM 0 HB VAL A 11 -4.414 -0.368 1.096 1.00 62.10 H new ATOM 0 HG11 VAL A 11 -2.111 -0.293 0.171 1.00 73.03 H new ATOM 0 HG12 VAL A 11 -2.296 -1.541 1.426 1.00 73.03 H new ATOM 0 HG13 VAL A 11 -2.254 -2.006 -0.291 1.00 73.03 H new ATOM 0 HG21 VAL A 11 -4.023 0.373 -1.252 1.00 0.45 H new ATOM 0 HG22 VAL A 11 -4.318 -1.290 -1.811 1.00 0.45 H new ATOM 0 HG23 VAL A 11 -5.627 -0.366 -1.038 1.00 0.45 H new ATOM 192 N GLY A 12 -6.952 -1.627 1.683 1.00 13.02 N ATOM 193 CA GLY A 12 -8.374 -1.293 1.713 1.00 34.43 C ATOM 194 C GLY A 12 -8.693 -0.284 2.783 1.00 50.33 C ATOM 195 O GLY A 12 -7.825 0.072 3.565 1.00 13.41 O ATOM 0 H GLY A 12 -6.440 -1.365 2.526 1.00 13.02 H new ATOM 0 HA2 GLY A 12 -8.675 -0.899 0.742 1.00 34.43 H new ATOM 0 HA3 GLY A 12 -8.956 -2.199 1.884 1.00 34.43 H new ATOM 199 N GLY A 13 -9.934 0.187 2.797 1.00 33.23 N ATOM 200 CA GLY A 13 -10.387 1.174 3.777 1.00 50.43 C ATOM 201 C GLY A 13 -11.639 1.866 3.298 1.00 22.53 C ATOM 202 O GLY A 13 -12.096 1.609 2.168 1.00 35.44 O ATOM 0 H GLY A 13 -10.654 -0.101 2.134 1.00 33.23 H new ATOM 0 HA2 GLY A 13 -10.579 0.684 4.732 1.00 50.43 H new ATOM 0 HA3 GLY A 13 -9.602 1.910 3.949 1.00 50.43 H new ATOM 206 N GLU A 14 -12.213 2.749 4.140 1.00 74.34 N ATOM 207 CA GLU A 14 -13.456 3.433 3.792 1.00 63.31 C ATOM 208 C GLU A 14 -13.223 4.591 2.838 1.00 34.33 C ATOM 209 O GLU A 14 -12.158 5.218 2.822 1.00 30.52 O ATOM 210 CB GLU A 14 -14.260 3.908 5.035 1.00 3.31 C ATOM 211 CG GLU A 14 -15.047 2.780 5.739 1.00 70.41 C ATOM 212 CD GLU A 14 -16.399 3.226 6.298 1.00 0.34 C ATOM 213 OE1 GLU A 14 -17.399 3.205 5.542 1.00 22.22 O ATOM 214 OE2 GLU A 14 -16.473 3.583 7.491 1.00 1.10 O ATOM 0 H GLU A 14 -11.834 2.997 5.054 1.00 74.34 H new ATOM 0 HA GLU A 14 -14.063 2.685 3.282 1.00 63.31 H new ATOM 0 HB2 GLU A 14 -13.572 4.359 5.750 1.00 3.31 H new ATOM 0 HB3 GLU A 14 -14.957 4.688 4.728 1.00 3.31 H new ATOM 0 HG2 GLU A 14 -15.207 1.966 5.032 1.00 70.41 H new ATOM 0 HG3 GLU A 14 -14.442 2.381 6.553 1.00 70.41 H new ATOM 221 N LEU A 15 -14.253 4.809 2.035 1.00 64.43 N ATOM 222 CA LEU A 15 -14.403 5.949 1.151 1.00 24.15 C ATOM 223 C LEU A 15 -15.525 6.852 1.711 1.00 2.22 C ATOM 224 O LEU A 15 -16.299 6.439 2.586 1.00 13.03 O ATOM 225 CB LEU A 15 -14.748 5.452 -0.291 1.00 40.34 C ATOM 226 CG LEU A 15 -13.614 4.703 -1.093 1.00 53.35 C ATOM 227 CD1 LEU A 15 -12.276 5.442 -0.998 1.00 32.23 C ATOM 228 CD2 LEU A 15 -13.454 3.227 -0.684 1.00 4.04 C ATOM 0 H LEU A 15 -15.042 4.165 1.981 1.00 64.43 H new ATOM 0 HA LEU A 15 -13.476 6.520 1.096 1.00 24.15 H new ATOM 0 HB2 LEU A 15 -15.607 4.785 -0.221 1.00 40.34 H new ATOM 0 HB3 LEU A 15 -15.062 6.315 -0.878 1.00 40.34 H new ATOM 0 HG LEU A 15 -13.937 4.705 -2.134 1.00 53.35 H new ATOM 0 HD11 LEU A 15 -11.519 4.897 -1.562 1.00 32.23 H new ATOM 0 HD12 LEU A 15 -12.384 6.445 -1.411 1.00 32.23 H new ATOM 0 HD13 LEU A 15 -11.971 5.510 0.046 1.00 32.23 H new ATOM 0 HD21 LEU A 15 -12.658 2.770 -1.273 1.00 4.04 H new ATOM 0 HD22 LEU A 15 -13.201 3.168 0.375 1.00 4.04 H new ATOM 0 HD23 LEU A 15 -14.389 2.696 -0.864 1.00 4.04 H new ATOM 240 N LYS A 16 -15.589 8.084 1.214 1.00 54.22 N ATOM 241 CA LYS A 16 -16.670 9.047 1.549 1.00 14.11 C ATOM 242 C LYS A 16 -17.829 8.951 0.535 1.00 11.52 C ATOM 243 O LYS A 16 -18.826 9.673 0.651 1.00 73.31 O ATOM 244 CB LYS A 16 -16.113 10.504 1.595 1.00 22.31 C ATOM 245 CG LYS A 16 -15.238 10.802 2.831 1.00 4.52 C ATOM 246 CD LYS A 16 -14.611 12.216 2.825 1.00 72.04 C ATOM 247 CE LYS A 16 -13.625 12.434 1.666 1.00 73.12 C ATOM 248 NZ LYS A 16 -12.889 13.716 1.790 1.00 42.03 N ATOM 0 H LYS A 16 -14.897 8.458 0.564 1.00 54.22 H new ATOM 0 HA LYS A 16 -17.055 8.789 2.535 1.00 14.11 H new ATOM 0 HB2 LYS A 16 -15.526 10.687 0.695 1.00 22.31 H new ATOM 0 HB3 LYS A 16 -16.949 11.203 1.578 1.00 22.31 H new ATOM 0 HG2 LYS A 16 -15.844 10.687 3.730 1.00 4.52 H new ATOM 0 HG3 LYS A 16 -14.440 10.061 2.887 1.00 4.52 H new ATOM 0 HD2 LYS A 16 -15.406 12.959 2.762 1.00 72.04 H new ATOM 0 HD3 LYS A 16 -14.094 12.382 3.770 1.00 72.04 H new ATOM 0 HE2 LYS A 16 -12.913 11.609 1.637 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -14.168 12.419 0.721 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -12.448 13.953 0.878 1.00 42.03 H new ATOM 0 HZ2 LYS A 16 -13.550 14.471 2.062 1.00 42.03 H new ATOM 0 HZ3 LYS A 16 -12.151 13.624 2.517 1.00 42.03 H new ATOM 262 N ASP A 17 -17.696 8.034 -0.439 1.00 4.23 N ATOM 263 CA ASP A 17 -18.645 7.887 -1.555 1.00 60.41 C ATOM 264 C ASP A 17 -18.756 6.395 -1.941 1.00 63.54 C ATOM 265 O ASP A 17 -17.886 5.588 -1.581 1.00 53.50 O ATOM 266 CB ASP A 17 -18.168 8.754 -2.758 1.00 62.11 C ATOM 267 CG ASP A 17 -19.222 8.888 -3.877 1.00 32.55 C ATOM 268 OD1 ASP A 17 -19.242 8.048 -4.806 1.00 51.23 O ATOM 269 OD2 ASP A 17 -20.052 9.824 -3.822 1.00 51.14 O ATOM 0 H ASP A 17 -16.922 7.370 -0.474 1.00 4.23 H new ATOM 0 HA ASP A 17 -19.634 8.235 -1.258 1.00 60.41 H new ATOM 0 HB2 ASP A 17 -17.905 9.748 -2.397 1.00 62.11 H new ATOM 0 HB3 ASP A 17 -17.261 8.315 -3.175 1.00 62.11 H new ATOM 274 N VAL A 18 -19.838 6.038 -2.656 1.00 74.10 N ATOM 275 CA VAL A 18 -20.128 4.649 -3.069 1.00 15.11 C ATOM 276 C VAL A 18 -19.111 4.123 -4.111 1.00 13.42 C ATOM 277 O VAL A 18 -18.648 2.978 -4.022 1.00 74.30 O ATOM 278 CB VAL A 18 -21.599 4.526 -3.632 1.00 63.53 C ATOM 279 CG1 VAL A 18 -22.639 4.750 -2.508 1.00 64.23 C ATOM 280 CG2 VAL A 18 -21.857 5.496 -4.819 1.00 14.11 C ATOM 0 H VAL A 18 -20.542 6.708 -2.967 1.00 74.10 H new ATOM 0 HA VAL A 18 -20.035 4.028 -2.178 1.00 15.11 H new ATOM 0 HB VAL A 18 -21.711 3.511 -4.014 1.00 63.53 H new ATOM 0 HG11 VAL A 18 -23.644 4.661 -2.919 1.00 64.23 H new ATOM 0 HG12 VAL A 18 -22.498 4.002 -1.728 1.00 64.23 H new ATOM 0 HG13 VAL A 18 -22.508 5.746 -2.084 1.00 64.23 H new ATOM 0 HG21 VAL A 18 -22.881 5.375 -5.172 1.00 14.11 H new ATOM 0 HG22 VAL A 18 -21.706 6.524 -4.488 1.00 14.11 H new ATOM 0 HG23 VAL A 18 -21.165 5.271 -5.630 1.00 14.11 H new ATOM 290 N ALA A 19 -18.780 4.975 -5.094 1.00 71.03 N ATOM 291 CA ALA A 19 -17.867 4.640 -6.209 1.00 13.05 C ATOM 292 C ALA A 19 -16.599 5.515 -6.170 1.00 12.04 C ATOM 293 O ALA A 19 -15.566 5.149 -6.746 1.00 41.42 O ATOM 294 CB ALA A 19 -18.608 4.812 -7.550 1.00 61.32 C ATOM 0 H ALA A 19 -19.141 5.928 -5.142 1.00 71.03 H new ATOM 0 HA ALA A 19 -17.552 3.602 -6.105 1.00 13.05 H new ATOM 0 HB1 ALA A 19 -17.935 4.565 -8.372 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -19.472 4.148 -7.576 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -18.941 5.845 -7.652 1.00 61.32 H new ATOM 300 N GLY A 20 -16.700 6.667 -5.474 1.00 5.42 N ATOM 301 CA GLY A 20 -15.628 7.669 -5.415 1.00 24.43 C ATOM 302 C GLY A 20 -14.481 7.253 -4.510 1.00 1.43 C ATOM 303 O GLY A 20 -14.716 6.765 -3.404 1.00 3.44 O ATOM 0 H GLY A 20 -17.530 6.924 -4.939 1.00 5.42 H new ATOM 0 HA2 GLY A 20 -15.246 7.845 -6.421 1.00 24.43 H new ATOM 0 HA3 GLY A 20 -16.040 8.614 -5.061 1.00 24.43 H new ATOM 307 N VAL A 21 -13.233 7.509 -4.964 1.00 4.05 N ATOM 308 CA VAL A 21 -11.991 7.036 -4.303 1.00 63.00 C ATOM 309 C VAL A 21 -11.493 8.065 -3.231 1.00 61.12 C ATOM 310 O VAL A 21 -10.310 8.108 -2.872 1.00 70.21 O ATOM 311 CB VAL A 21 -10.876 6.721 -5.398 1.00 64.04 C ATOM 312 CG1 VAL A 21 -9.686 5.916 -4.817 1.00 32.11 C ATOM 313 CG2 VAL A 21 -11.480 5.979 -6.624 1.00 24.51 C ATOM 0 H VAL A 21 -13.056 8.055 -5.807 1.00 4.05 H new ATOM 0 HA VAL A 21 -12.206 6.110 -3.769 1.00 63.00 H new ATOM 0 HB VAL A 21 -10.490 7.685 -5.728 1.00 64.04 H new ATOM 0 HG11 VAL A 21 -8.955 5.728 -5.604 1.00 32.11 H new ATOM 0 HG12 VAL A 21 -9.217 6.487 -4.015 1.00 32.11 H new ATOM 0 HG13 VAL A 21 -10.047 4.966 -4.423 1.00 32.11 H new ATOM 0 HG21 VAL A 21 -10.694 5.779 -7.352 1.00 24.51 H new ATOM 0 HG22 VAL A 21 -11.921 5.037 -6.298 1.00 24.51 H new ATOM 0 HG23 VAL A 21 -12.249 6.600 -7.082 1.00 24.51 H new ATOM 323 N GLU A 22 -12.432 8.836 -2.651 1.00 33.04 N ATOM 324 CA GLU A 22 -12.124 9.803 -1.580 1.00 64.14 C ATOM 325 C GLU A 22 -12.043 9.074 -0.230 1.00 53.42 C ATOM 326 O GLU A 22 -13.058 8.913 0.440 1.00 63.44 O ATOM 327 CB GLU A 22 -13.196 10.920 -1.511 1.00 64.32 C ATOM 328 CG GLU A 22 -13.345 11.767 -2.777 1.00 34.34 C ATOM 329 CD GLU A 22 -12.042 12.461 -3.205 1.00 40.41 C ATOM 330 OE1 GLU A 22 -11.751 13.572 -2.710 1.00 44.41 O ATOM 331 OE2 GLU A 22 -11.308 11.891 -4.047 1.00 30.12 O ATOM 0 H GLU A 22 -13.418 8.807 -2.909 1.00 33.04 H new ATOM 0 HA GLU A 22 -11.163 10.267 -1.804 1.00 64.14 H new ATOM 0 HB2 GLU A 22 -14.159 10.462 -1.285 1.00 64.32 H new ATOM 0 HB3 GLU A 22 -12.954 11.581 -0.679 1.00 64.32 H new ATOM 0 HG2 GLU A 22 -13.694 11.132 -3.591 1.00 34.34 H new ATOM 0 HG3 GLU A 22 -14.113 12.523 -2.611 1.00 34.34 H new ATOM 338 N PHE A 23 -10.840 8.595 0.123 1.00 43.43 N ATOM 339 CA PHE A 23 -10.583 7.885 1.402 1.00 43.14 C ATOM 340 C PHE A 23 -11.125 8.686 2.605 1.00 51.14 C ATOM 341 O PHE A 23 -10.655 9.800 2.874 1.00 30.35 O ATOM 342 CB PHE A 23 -9.068 7.619 1.599 1.00 41.22 C ATOM 343 CG PHE A 23 -8.402 6.849 0.464 1.00 72.24 C ATOM 344 CD1 PHE A 23 -8.922 5.629 0.043 1.00 44.21 C ATOM 345 CD2 PHE A 23 -7.254 7.337 -0.173 1.00 4.04 C ATOM 346 CE1 PHE A 23 -8.318 4.916 -0.979 1.00 23.43 C ATOM 347 CE2 PHE A 23 -6.648 6.622 -1.190 1.00 3.01 C ATOM 348 CZ PHE A 23 -7.180 5.412 -1.589 1.00 14.35 C ATOM 0 H PHE A 23 -10.012 8.685 -0.466 1.00 43.43 H new ATOM 0 HA PHE A 23 -11.107 6.930 1.350 1.00 43.14 H new ATOM 0 HB2 PHE A 23 -8.558 8.575 1.719 1.00 41.22 H new ATOM 0 HB3 PHE A 23 -8.928 7.064 2.527 1.00 41.22 H new ATOM 0 HD1 PHE A 23 -9.807 5.233 0.519 1.00 44.21 H new ATOM 0 HD2 PHE A 23 -6.836 8.284 0.134 1.00 4.04 H new ATOM 0 HE1 PHE A 23 -8.735 3.973 -1.300 1.00 23.43 H new ATOM 0 HE2 PHE A 23 -5.762 7.009 -1.671 1.00 3.01 H new ATOM 0 HZ PHE A 23 -6.706 4.851 -2.380 1.00 14.35 H new ATOM 358 N ARG A 24 -12.122 8.099 3.299 1.00 12.12 N ATOM 359 CA ARG A 24 -12.803 8.726 4.445 1.00 5.22 C ATOM 360 C ARG A 24 -11.808 9.088 5.561 1.00 52.43 C ATOM 361 O ARG A 24 -11.925 10.145 6.191 1.00 33.43 O ATOM 362 CB ARG A 24 -13.937 7.800 4.968 1.00 60.34 C ATOM 363 CG ARG A 24 -14.750 8.377 6.145 1.00 15.05 C ATOM 364 CD ARG A 24 -15.824 7.411 6.683 1.00 23.22 C ATOM 365 NE ARG A 24 -16.483 7.972 7.874 1.00 22.23 N ATOM 366 CZ ARG A 24 -16.945 7.266 8.913 1.00 53.30 C ATOM 367 NH1 ARG A 24 -16.841 5.945 8.949 1.00 5.33 N ATOM 368 NH2 ARG A 24 -17.509 7.897 9.928 1.00 63.35 N ATOM 0 H ARG A 24 -12.478 7.169 3.076 1.00 12.12 H new ATOM 0 HA ARG A 24 -13.254 9.659 4.108 1.00 5.22 H new ATOM 0 HB2 ARG A 24 -14.618 7.583 4.145 1.00 60.34 H new ATOM 0 HB3 ARG A 24 -13.499 6.851 5.278 1.00 60.34 H new ATOM 0 HG2 ARG A 24 -14.068 8.637 6.955 1.00 15.05 H new ATOM 0 HG3 ARG A 24 -15.231 9.301 5.825 1.00 15.05 H new ATOM 0 HD2 ARG A 24 -16.566 7.218 5.909 1.00 23.22 H new ATOM 0 HD3 ARG A 24 -15.366 6.454 6.932 1.00 23.22 H new ATOM 0 HE ARG A 24 -16.597 8.985 7.910 1.00 22.23 H new ATOM 0 HH11 ARG A 24 -16.402 5.447 8.175 1.00 5.33 H new ATOM 0 HH12 ARG A 24 -17.200 5.427 9.751 1.00 5.33 H new ATOM 0 HH21 ARG A 24 -17.589 8.914 9.915 1.00 63.35 H new ATOM 0 HH22 ARG A 24 -17.864 7.367 10.724 1.00 63.35 H new ATOM 382 N ASP A 25 -10.810 8.212 5.758 1.00 52.03 N ATOM 383 CA ASP A 25 -9.680 8.463 6.651 1.00 44.11 C ATOM 384 C ASP A 25 -8.541 7.503 6.285 1.00 34.44 C ATOM 385 O ASP A 25 -8.773 6.355 5.879 1.00 12.24 O ATOM 386 CB ASP A 25 -10.097 8.313 8.132 1.00 22.34 C ATOM 387 CG ASP A 25 -9.002 8.722 9.137 1.00 3.14 C ATOM 388 OD1 ASP A 25 -8.949 9.912 9.524 1.00 43.23 O ATOM 389 OD2 ASP A 25 -8.192 7.866 9.541 1.00 30.34 O ATOM 0 H ASP A 25 -10.769 7.304 5.296 1.00 52.03 H new ATOM 0 HA ASP A 25 -9.336 9.490 6.526 1.00 44.11 H new ATOM 0 HB2 ASP A 25 -10.985 8.919 8.312 1.00 22.34 H new ATOM 0 HB3 ASP A 25 -10.376 7.276 8.317 1.00 22.34 H new ATOM 394 N LEU A 26 -7.322 7.995 6.459 1.00 11.41 N ATOM 395 CA LEU A 26 -6.086 7.366 5.966 1.00 40.24 C ATOM 396 C LEU A 26 -5.467 6.429 7.011 1.00 45.15 C ATOM 397 O LEU A 26 -4.741 5.496 6.655 1.00 14.22 O ATOM 398 CB LEU A 26 -5.111 8.486 5.576 1.00 0.43 C ATOM 399 CG LEU A 26 -5.679 9.494 4.536 1.00 55.35 C ATOM 400 CD1 LEU A 26 -4.838 10.765 4.506 1.00 1.43 C ATOM 401 CD2 LEU A 26 -5.810 8.851 3.139 1.00 21.43 C ATOM 0 H LEU A 26 -7.152 8.867 6.960 1.00 11.41 H new ATOM 0 HA LEU A 26 -6.312 6.745 5.099 1.00 40.24 H new ATOM 0 HB2 LEU A 26 -4.824 9.032 6.475 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -4.203 8.038 5.172 1.00 0.43 H new ATOM 0 HG LEU A 26 -6.686 9.773 4.846 1.00 55.35 H new ATOM 0 HD11 LEU A 26 -5.251 11.457 3.773 1.00 1.43 H new ATOM 0 HD12 LEU A 26 -4.848 11.231 5.491 1.00 1.43 H new ATOM 0 HD13 LEU A 26 -3.813 10.516 4.233 1.00 1.43 H new ATOM 0 HD21 LEU A 26 -6.210 9.583 2.437 1.00 21.43 H new ATOM 0 HD22 LEU A 26 -4.829 8.519 2.798 1.00 21.43 H new ATOM 0 HD23 LEU A 26 -6.484 7.996 3.194 1.00 21.43 H new ATOM 413 N SER A 27 -5.756 6.691 8.297 1.00 41.43 N ATOM 414 CA SER A 27 -5.437 5.763 9.399 1.00 2.21 C ATOM 415 C SER A 27 -6.535 4.675 9.492 1.00 33.11 C ATOM 416 O SER A 27 -6.412 3.720 10.269 1.00 22.24 O ATOM 417 CB SER A 27 -5.287 6.539 10.735 1.00 60.45 C ATOM 418 OG SER A 27 -4.879 5.695 11.804 1.00 21.14 O ATOM 0 H SER A 27 -6.216 7.549 8.603 1.00 41.43 H new ATOM 0 HA SER A 27 -4.484 5.273 9.199 1.00 2.21 H new ATOM 0 HB2 SER A 27 -4.558 7.340 10.608 1.00 60.45 H new ATOM 0 HB3 SER A 27 -6.237 7.010 10.988 1.00 60.45 H new ATOM 0 HG SER A 27 -5.209 4.786 11.647 1.00 21.14 H new ATOM 424 N LYS A 28 -7.616 4.837 8.694 1.00 23.01 N ATOM 425 CA LYS A 28 -8.676 3.803 8.552 1.00 41.32 C ATOM 426 C LYS A 28 -8.462 2.972 7.270 1.00 50.11 C ATOM 427 O LYS A 28 -9.221 2.033 7.002 1.00 14.31 O ATOM 428 CB LYS A 28 -10.085 4.450 8.562 1.00 40.04 C ATOM 429 CG LYS A 28 -10.413 5.246 9.844 1.00 1.10 C ATOM 430 CD LYS A 28 -10.355 4.413 11.144 1.00 63.31 C ATOM 431 CE LYS A 28 -10.520 5.289 12.397 1.00 75.45 C ATOM 432 NZ LYS A 28 -11.778 6.087 12.374 1.00 20.33 N ATOM 0 H LYS A 28 -7.780 5.675 8.136 1.00 23.01 H new ATOM 0 HA LYS A 28 -8.609 3.130 9.407 1.00 41.32 H new ATOM 0 HB2 LYS A 28 -10.172 5.116 7.703 1.00 40.04 H new ATOM 0 HB3 LYS A 28 -10.832 3.667 8.434 1.00 40.04 H new ATOM 0 HG2 LYS A 28 -9.715 6.079 9.929 1.00 1.10 H new ATOM 0 HG3 LYS A 28 -11.410 5.675 9.746 1.00 1.10 H new ATOM 0 HD2 LYS A 28 -11.139 3.656 11.125 1.00 63.31 H new ATOM 0 HD3 LYS A 28 -9.403 3.885 11.194 1.00 63.31 H new ATOM 0 HE2 LYS A 28 -10.512 4.655 13.283 1.00 75.45 H new ATOM 0 HE3 LYS A 28 -9.667 5.963 12.480 1.00 75.45 H new ATOM 0 HZ1 LYS A 28 -11.892 6.581 13.282 1.00 20.33 H new ATOM 0 HZ2 LYS A 28 -11.733 6.784 11.604 1.00 20.33 H new ATOM 0 HZ3 LYS A 28 -12.588 5.453 12.220 1.00 20.33 H new ATOM 446 N VAL A 29 -7.433 3.341 6.475 1.00 33.31 N ATOM 447 CA VAL A 29 -6.960 2.514 5.355 1.00 1.51 C ATOM 448 C VAL A 29 -6.217 1.288 5.932 1.00 25.44 C ATOM 449 O VAL A 29 -5.022 1.344 6.239 1.00 73.35 O ATOM 450 CB VAL A 29 -6.047 3.320 4.339 1.00 31.13 C ATOM 451 CG1 VAL A 29 -5.437 2.405 3.235 1.00 54.21 C ATOM 452 CG2 VAL A 29 -6.834 4.486 3.698 1.00 32.13 C ATOM 0 H VAL A 29 -6.915 4.212 6.594 1.00 33.31 H new ATOM 0 HA VAL A 29 -7.823 2.188 4.774 1.00 1.51 H new ATOM 0 HB VAL A 29 -5.217 3.728 4.916 1.00 31.13 H new ATOM 0 HG11 VAL A 29 -4.821 3.005 2.565 1.00 54.21 H new ATOM 0 HG12 VAL A 29 -4.823 1.634 3.700 1.00 54.21 H new ATOM 0 HG13 VAL A 29 -6.240 1.936 2.667 1.00 54.21 H new ATOM 0 HG21 VAL A 29 -6.187 5.024 3.005 1.00 32.13 H new ATOM 0 HG22 VAL A 29 -7.695 4.091 3.158 1.00 32.13 H new ATOM 0 HG23 VAL A 29 -7.176 5.166 4.478 1.00 32.13 H new ATOM 462 N GLU A 30 -6.988 0.211 6.159 1.00 13.31 N ATOM 463 CA GLU A 30 -6.461 -1.090 6.589 1.00 74.54 C ATOM 464 C GLU A 30 -5.631 -1.713 5.449 1.00 63.34 C ATOM 465 O GLU A 30 -6.182 -2.154 4.430 1.00 41.13 O ATOM 466 CB GLU A 30 -7.616 -2.048 6.979 1.00 74.21 C ATOM 467 CG GLU A 30 -7.140 -3.454 7.422 1.00 74.35 C ATOM 468 CD GLU A 30 -8.291 -4.436 7.682 1.00 13.11 C ATOM 469 OE1 GLU A 30 -8.961 -4.334 8.737 1.00 21.40 O ATOM 470 OE2 GLU A 30 -8.535 -5.318 6.833 1.00 2.42 O ATOM 0 H GLU A 30 -8.002 0.222 6.048 1.00 13.31 H new ATOM 0 HA GLU A 30 -5.828 -0.938 7.463 1.00 74.54 H new ATOM 0 HB2 GLU A 30 -8.191 -1.598 7.788 1.00 74.21 H new ATOM 0 HB3 GLU A 30 -8.290 -2.154 6.129 1.00 74.21 H new ATOM 0 HG2 GLU A 30 -6.487 -3.867 6.653 1.00 74.35 H new ATOM 0 HG3 GLU A 30 -6.543 -3.358 8.329 1.00 74.35 H new ATOM 477 N PHE A 31 -4.314 -1.717 5.628 1.00 3.43 N ATOM 478 CA PHE A 31 -3.388 -2.383 4.712 1.00 13.04 C ATOM 479 C PHE A 31 -3.527 -3.895 4.929 1.00 4.21 C ATOM 480 O PHE A 31 -3.029 -4.433 5.923 1.00 72.13 O ATOM 481 CB PHE A 31 -1.938 -1.905 4.971 1.00 5.31 C ATOM 482 CG PHE A 31 -1.742 -0.397 4.787 1.00 2.44 C ATOM 483 CD1 PHE A 31 -1.415 0.135 3.540 1.00 53.42 C ATOM 484 CD2 PHE A 31 -1.886 0.488 5.859 1.00 33.32 C ATOM 485 CE1 PHE A 31 -1.246 1.493 3.371 1.00 41.44 C ATOM 486 CE2 PHE A 31 -1.715 1.847 5.681 1.00 3.32 C ATOM 487 CZ PHE A 31 -1.395 2.346 4.438 1.00 64.14 C ATOM 0 H PHE A 31 -3.855 -1.257 6.414 1.00 3.43 H new ATOM 0 HA PHE A 31 -3.624 -2.137 3.677 1.00 13.04 H new ATOM 0 HB2 PHE A 31 -1.651 -2.178 5.987 1.00 5.31 H new ATOM 0 HB3 PHE A 31 -1.265 -2.434 4.297 1.00 5.31 H new ATOM 0 HD1 PHE A 31 -1.292 -0.526 2.695 1.00 53.42 H new ATOM 0 HD2 PHE A 31 -2.134 0.105 6.838 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -0.996 1.887 2.397 1.00 41.44 H new ATOM 0 HE2 PHE A 31 -1.832 2.519 6.518 1.00 3.32 H new ATOM 0 HZ PHE A 31 -1.261 3.409 4.302 1.00 64.14 H new ATOM 497 N VAL A 32 -4.285 -4.540 4.019 1.00 24.43 N ATOM 498 CA VAL A 32 -4.573 -5.991 4.051 1.00 33.53 C ATOM 499 C VAL A 32 -3.258 -6.809 4.070 1.00 32.25 C ATOM 500 O VAL A 32 -3.180 -7.881 4.688 1.00 70.13 O ATOM 501 CB VAL A 32 -5.475 -6.402 2.823 1.00 42.13 C ATOM 502 CG1 VAL A 32 -5.825 -7.908 2.819 1.00 53.32 C ATOM 503 CG2 VAL A 32 -6.757 -5.538 2.764 1.00 75.33 C ATOM 0 H VAL A 32 -4.721 -4.062 3.230 1.00 24.43 H new ATOM 0 HA VAL A 32 -5.122 -6.214 4.966 1.00 33.53 H new ATOM 0 HB VAL A 32 -4.886 -6.213 1.925 1.00 42.13 H new ATOM 0 HG11 VAL A 32 -6.447 -8.135 1.953 1.00 53.32 H new ATOM 0 HG12 VAL A 32 -4.908 -8.495 2.771 1.00 53.32 H new ATOM 0 HG13 VAL A 32 -6.368 -8.158 3.731 1.00 53.32 H new ATOM 0 HG21 VAL A 32 -7.361 -5.841 1.909 1.00 75.33 H new ATOM 0 HG22 VAL A 32 -7.331 -5.675 3.681 1.00 75.33 H new ATOM 0 HG23 VAL A 32 -6.484 -4.488 2.661 1.00 75.33 H new ATOM 513 N GLY A 33 -2.226 -6.257 3.399 1.00 62.42 N ATOM 514 CA GLY A 33 -0.867 -6.783 3.440 1.00 43.12 C ATOM 515 C GLY A 33 -0.300 -6.984 2.044 1.00 65.41 C ATOM 516 O GLY A 33 -0.406 -6.089 1.195 1.00 45.22 O ATOM 0 H GLY A 33 -2.324 -5.428 2.813 1.00 62.42 H new ATOM 0 HA2 GLY A 33 -0.228 -6.098 3.997 1.00 43.12 H new ATOM 0 HA3 GLY A 33 -0.860 -7.732 3.976 1.00 43.12 H new ATOM 520 N ALA A 34 0.308 -8.152 1.819 1.00 75.55 N ATOM 521 CA ALA A 34 0.867 -8.559 0.520 1.00 12.20 C ATOM 522 C ALA A 34 0.950 -10.092 0.497 1.00 55.41 C ATOM 523 O ALA A 34 1.482 -10.691 1.432 1.00 21.45 O ATOM 524 CB ALA A 34 2.249 -7.919 0.300 1.00 11.25 C ATOM 0 H ALA A 34 0.429 -8.857 2.546 1.00 75.55 H new ATOM 0 HA ALA A 34 0.226 -8.216 -0.292 1.00 12.20 H new ATOM 0 HB1 ALA A 34 2.645 -8.232 -0.666 1.00 11.25 H new ATOM 0 HB2 ALA A 34 2.154 -6.833 0.319 1.00 11.25 H new ATOM 0 HB3 ALA A 34 2.928 -8.238 1.091 1.00 11.25 H new ATOM 530 N TYR A 35 0.391 -10.718 -0.545 1.00 74.22 N ATOM 531 CA TYR A 35 0.237 -12.192 -0.624 1.00 74.03 C ATOM 532 C TYR A 35 1.350 -12.837 -1.488 1.00 65.43 C ATOM 533 O TYR A 35 1.795 -12.219 -2.445 1.00 61.21 O ATOM 534 CB TYR A 35 -1.185 -12.512 -1.162 1.00 0.34 C ATOM 535 CG TYR A 35 -2.297 -12.464 -0.095 1.00 71.52 C ATOM 536 CD1 TYR A 35 -2.525 -11.322 0.679 1.00 52.21 C ATOM 537 CD2 TYR A 35 -3.101 -13.582 0.153 1.00 53.24 C ATOM 538 CE1 TYR A 35 -3.510 -11.298 1.650 1.00 14.03 C ATOM 539 CE2 TYR A 35 -4.082 -13.559 1.121 1.00 63.43 C ATOM 540 CZ TYR A 35 -4.282 -12.419 1.867 1.00 43.44 C ATOM 541 OH TYR A 35 -5.260 -12.401 2.836 1.00 20.23 O ATOM 0 H TYR A 35 0.030 -10.225 -1.362 1.00 74.22 H new ATOM 0 HA TYR A 35 0.346 -12.626 0.370 1.00 74.03 H new ATOM 0 HB2 TYR A 35 -1.428 -11.804 -1.954 1.00 0.34 H new ATOM 0 HB3 TYR A 35 -1.174 -13.504 -1.613 1.00 0.34 H new ATOM 0 HD1 TYR A 35 -1.921 -10.442 0.516 1.00 52.21 H new ATOM 0 HD2 TYR A 35 -2.950 -14.481 -0.426 1.00 53.24 H new ATOM 0 HE1 TYR A 35 -3.673 -10.405 2.235 1.00 14.03 H new ATOM 0 HE2 TYR A 35 -4.692 -14.433 1.294 1.00 63.43 H new ATOM 0 HH TYR A 35 -5.713 -13.270 2.860 1.00 20.23 H new ATOM 551 N PRO A 36 1.798 -14.111 -1.175 1.00 75.02 N ATOM 552 CA PRO A 36 3.001 -14.759 -1.812 1.00 11.14 C ATOM 553 C PRO A 36 2.895 -15.028 -3.336 1.00 62.35 C ATOM 554 O PRO A 36 3.834 -15.575 -3.928 1.00 5.01 O ATOM 555 CB PRO A 36 3.163 -16.076 -1.009 1.00 13.41 C ATOM 556 CG PRO A 36 1.791 -16.363 -0.475 1.00 64.31 C ATOM 557 CD PRO A 36 1.182 -15.015 -0.164 1.00 2.23 C ATOM 0 HA PRO A 36 3.860 -14.090 -1.764 1.00 11.14 H new ATOM 0 HB2 PRO A 36 3.519 -16.887 -1.645 1.00 13.41 H new ATOM 0 HB3 PRO A 36 3.887 -15.962 -0.202 1.00 13.41 H new ATOM 0 HG2 PRO A 36 1.191 -16.904 -1.207 1.00 64.31 H new ATOM 0 HG3 PRO A 36 1.841 -16.985 0.418 1.00 64.31 H new ATOM 0 HD2 PRO A 36 0.096 -15.035 -0.253 1.00 2.23 H new ATOM 0 HD3 PRO A 36 1.412 -14.696 0.852 1.00 2.23 H new ATOM 565 N SER A 37 1.757 -14.665 -3.941 1.00 21.35 N ATOM 566 CA SER A 37 1.574 -14.651 -5.403 1.00 40.01 C ATOM 567 C SER A 37 0.603 -13.521 -5.776 1.00 12.51 C ATOM 568 O SER A 37 -0.195 -13.071 -4.935 1.00 4.24 O ATOM 569 CB SER A 37 1.043 -16.018 -5.913 1.00 53.00 C ATOM 570 OG SER A 37 0.784 -16.003 -7.313 1.00 42.31 O ATOM 0 H SER A 37 0.927 -14.369 -3.427 1.00 21.35 H new ATOM 0 HA SER A 37 2.538 -14.476 -5.880 1.00 40.01 H new ATOM 0 HB2 SER A 37 1.772 -16.796 -5.688 1.00 53.00 H new ATOM 0 HB3 SER A 37 0.128 -16.274 -5.378 1.00 53.00 H new ATOM 0 HG SER A 37 0.453 -16.882 -7.594 1.00 42.31 H new ATOM 576 N TYR A 38 0.681 -13.066 -7.042 1.00 15.41 N ATOM 577 CA TYR A 38 -0.265 -12.088 -7.599 1.00 11.21 C ATOM 578 C TYR A 38 -1.700 -12.657 -7.602 1.00 4.43 C ATOM 579 O TYR A 38 -2.649 -11.926 -7.333 1.00 3.41 O ATOM 580 CB TYR A 38 0.151 -11.651 -9.036 1.00 63.33 C ATOM 581 CG TYR A 38 -0.921 -10.813 -9.763 1.00 42.44 C ATOM 582 CD1 TYR A 38 -1.391 -9.616 -9.214 1.00 31.45 C ATOM 583 CD2 TYR A 38 -1.502 -11.239 -10.967 1.00 5.55 C ATOM 584 CE1 TYR A 38 -2.389 -8.889 -9.826 1.00 74.41 C ATOM 585 CE2 TYR A 38 -2.495 -10.497 -11.586 1.00 33.04 C ATOM 586 CZ TYR A 38 -2.936 -9.329 -11.009 1.00 0.31 C ATOM 587 OH TYR A 38 -3.940 -8.597 -11.610 1.00 23.23 O ATOM 0 H TYR A 38 1.399 -13.366 -7.702 1.00 15.41 H new ATOM 0 HA TYR A 38 -0.242 -11.205 -6.960 1.00 11.21 H new ATOM 0 HB2 TYR A 38 1.074 -11.073 -8.978 1.00 63.33 H new ATOM 0 HB3 TYR A 38 0.368 -12.540 -9.628 1.00 63.33 H new ATOM 0 HD1 TYR A 38 -0.963 -9.254 -8.291 1.00 31.45 H new ATOM 0 HD2 TYR A 38 -1.169 -12.162 -11.419 1.00 5.55 H new ATOM 0 HE1 TYR A 38 -2.742 -7.973 -9.376 1.00 74.41 H new ATOM 0 HE2 TYR A 38 -2.922 -10.835 -12.519 1.00 33.04 H new ATOM 0 HH TYR A 38 -4.218 -9.041 -12.438 1.00 23.23 H new ATOM 597 N ASP A 39 -1.827 -13.959 -7.912 1.00 3.34 N ATOM 598 CA ASP A 39 -3.127 -14.664 -7.970 1.00 11.03 C ATOM 599 C ASP A 39 -3.789 -14.719 -6.574 1.00 25.23 C ATOM 600 O ASP A 39 -5.017 -14.634 -6.451 1.00 34.12 O ATOM 601 CB ASP A 39 -2.907 -16.090 -8.554 1.00 53.22 C ATOM 602 CG ASP A 39 -4.215 -16.880 -8.762 1.00 54.31 C ATOM 603 OD1 ASP A 39 -4.881 -16.678 -9.806 1.00 13.44 O ATOM 604 OD2 ASP A 39 -4.586 -17.709 -7.899 1.00 23.13 O ATOM 0 H ASP A 39 -1.030 -14.557 -8.131 1.00 3.34 H new ATOM 0 HA ASP A 39 -3.808 -14.117 -8.622 1.00 11.03 H new ATOM 0 HB2 ASP A 39 -2.387 -16.007 -9.508 1.00 53.22 H new ATOM 0 HB3 ASP A 39 -2.256 -16.651 -7.884 1.00 53.22 H new ATOM 609 N GLU A 40 -2.939 -14.825 -5.530 1.00 51.01 N ATOM 610 CA GLU A 40 -3.374 -14.812 -4.119 1.00 72.23 C ATOM 611 C GLU A 40 -3.836 -13.407 -3.695 1.00 13.03 C ATOM 612 O GLU A 40 -4.802 -13.267 -2.945 1.00 50.04 O ATOM 613 CB GLU A 40 -2.221 -15.282 -3.194 1.00 60.01 C ATOM 614 CG GLU A 40 -1.722 -16.706 -3.443 1.00 72.53 C ATOM 615 CD GLU A 40 -2.836 -17.763 -3.315 1.00 35.04 C ATOM 616 OE1 GLU A 40 -3.312 -18.002 -2.185 1.00 2.43 O ATOM 617 OE2 GLU A 40 -3.237 -18.364 -4.330 1.00 12.11 O ATOM 0 H GLU A 40 -1.930 -14.922 -5.644 1.00 51.01 H new ATOM 0 HA GLU A 40 -4.216 -15.498 -4.024 1.00 72.23 H new ATOM 0 HB2 GLU A 40 -1.382 -14.595 -3.309 1.00 60.01 H new ATOM 0 HB3 GLU A 40 -2.554 -15.207 -2.159 1.00 60.01 H new ATOM 0 HG2 GLU A 40 -1.286 -16.764 -4.440 1.00 72.53 H new ATOM 0 HG3 GLU A 40 -0.927 -16.936 -2.734 1.00 72.53 H new ATOM 624 N ALA A 41 -3.116 -12.375 -4.172 1.00 11.21 N ATOM 625 CA ALA A 41 -3.425 -10.967 -3.876 1.00 53.02 C ATOM 626 C ALA A 41 -4.692 -10.521 -4.626 1.00 33.34 C ATOM 627 O ALA A 41 -5.495 -9.731 -4.118 1.00 10.14 O ATOM 628 CB ALA A 41 -2.215 -10.110 -4.248 1.00 20.32 C ATOM 0 H ALA A 41 -2.302 -12.496 -4.775 1.00 11.21 H new ATOM 0 HA ALA A 41 -3.628 -10.846 -2.812 1.00 53.02 H new ATOM 0 HB1 ALA A 41 -2.431 -9.063 -4.034 1.00 20.32 H new ATOM 0 HB2 ALA A 41 -1.350 -10.429 -3.666 1.00 20.32 H new ATOM 0 HB3 ALA A 41 -2.000 -10.226 -5.310 1.00 20.32 H new ATOM 634 N HIS A 42 -4.872 -11.082 -5.830 1.00 44.01 N ATOM 635 CA HIS A 42 -6.058 -10.857 -6.661 1.00 21.13 C ATOM 636 C HIS A 42 -7.279 -11.499 -5.992 1.00 72.24 C ATOM 637 O HIS A 42 -8.384 -10.969 -6.062 1.00 42.13 O ATOM 638 CB HIS A 42 -5.823 -11.427 -8.088 1.00 62.33 C ATOM 639 CG HIS A 42 -6.955 -11.219 -9.065 1.00 40.33 C ATOM 640 ND1 HIS A 42 -7.201 -12.080 -10.110 1.00 31.11 N ATOM 641 CD2 HIS A 42 -7.892 -10.242 -9.169 1.00 63.24 C ATOM 642 CE1 HIS A 42 -8.230 -11.653 -10.804 1.00 62.42 C ATOM 643 NE2 HIS A 42 -8.665 -10.544 -10.256 1.00 41.14 N ATOM 0 H HIS A 42 -4.191 -11.710 -6.256 1.00 44.01 H new ATOM 0 HA HIS A 42 -6.245 -9.788 -6.758 1.00 21.13 H new ATOM 0 HB2 HIS A 42 -4.923 -10.970 -8.499 1.00 62.33 H new ATOM 0 HB3 HIS A 42 -5.629 -12.496 -8.006 1.00 62.33 H new ATOM 0 HD1 HIS A 42 -6.664 -12.923 -10.314 1.00 31.11 H new ATOM 0 HD2 HIS A 42 -8.005 -9.388 -8.517 1.00 63.24 H new ATOM 0 HE1 HIS A 42 -8.647 -12.133 -11.677 1.00 62.42 H new ATOM 652 N LYS A 43 -7.050 -12.630 -5.311 1.00 72.13 N ATOM 653 CA LYS A 43 -8.102 -13.350 -4.597 1.00 33.30 C ATOM 654 C LYS A 43 -8.441 -12.648 -3.269 1.00 21.23 C ATOM 655 O LYS A 43 -9.597 -12.650 -2.842 1.00 53.34 O ATOM 656 CB LYS A 43 -7.674 -14.822 -4.339 1.00 54.42 C ATOM 657 CG LYS A 43 -8.862 -15.791 -4.173 1.00 12.22 C ATOM 658 CD LYS A 43 -9.729 -15.850 -5.461 1.00 23.33 C ATOM 659 CE LYS A 43 -8.941 -16.400 -6.670 1.00 60.11 C ATOM 660 NZ LYS A 43 -9.738 -16.380 -7.923 1.00 44.54 N ATOM 0 H LYS A 43 -6.131 -13.067 -5.242 1.00 72.13 H new ATOM 0 HA LYS A 43 -8.997 -13.352 -5.220 1.00 33.30 H new ATOM 0 HB2 LYS A 43 -7.052 -15.161 -5.168 1.00 54.42 H new ATOM 0 HB3 LYS A 43 -7.057 -14.860 -3.441 1.00 54.42 H new ATOM 0 HG2 LYS A 43 -8.490 -16.788 -3.937 1.00 12.22 H new ATOM 0 HG3 LYS A 43 -9.478 -15.473 -3.332 1.00 12.22 H new ATOM 0 HD2 LYS A 43 -10.601 -16.479 -5.281 1.00 23.33 H new ATOM 0 HD3 LYS A 43 -10.099 -14.851 -5.694 1.00 23.33 H new ATOM 0 HE2 LYS A 43 -8.036 -15.809 -6.809 1.00 60.11 H new ATOM 0 HE3 LYS A 43 -8.625 -17.422 -6.460 1.00 60.11 H new ATOM 0 HZ1 LYS A 43 -9.166 -16.759 -8.705 1.00 44.54 H new ATOM 0 HZ2 LYS A 43 -10.589 -16.965 -7.802 1.00 44.54 H new ATOM 0 HZ3 LYS A 43 -10.018 -15.402 -8.141 1.00 44.54 H new ATOM 674 N ALA A 44 -7.405 -12.039 -2.646 1.00 63.24 N ATOM 675 CA ALA A 44 -7.510 -11.351 -1.347 1.00 73.43 C ATOM 676 C ALA A 44 -8.493 -10.168 -1.399 1.00 23.11 C ATOM 677 O ALA A 44 -9.184 -9.907 -0.420 1.00 11.34 O ATOM 678 CB ALA A 44 -6.133 -10.868 -0.895 1.00 41.24 C ATOM 0 H ALA A 44 -6.464 -12.014 -3.039 1.00 63.24 H new ATOM 0 HA ALA A 44 -7.899 -12.070 -0.626 1.00 73.43 H new ATOM 0 HB1 ALA A 44 -6.223 -10.361 0.066 1.00 41.24 H new ATOM 0 HB2 ALA A 44 -5.463 -11.722 -0.794 1.00 41.24 H new ATOM 0 HB3 ALA A 44 -5.730 -10.176 -1.634 1.00 41.24 H new ATOM 684 N TRP A 45 -8.522 -9.474 -2.558 1.00 63.24 N ATOM 685 CA TRP A 45 -9.462 -8.367 -2.845 1.00 62.33 C ATOM 686 C TRP A 45 -10.939 -8.797 -2.574 1.00 74.40 C ATOM 687 O TRP A 45 -11.662 -8.132 -1.830 1.00 23.20 O ATOM 688 CB TRP A 45 -9.231 -7.868 -4.329 1.00 2.14 C ATOM 689 CG TRP A 45 -10.483 -7.423 -5.072 1.00 12.43 C ATOM 690 CD1 TRP A 45 -11.126 -6.214 -4.999 1.00 74.01 C ATOM 691 CD2 TRP A 45 -11.240 -8.218 -6.002 1.00 71.23 C ATOM 692 NE1 TRP A 45 -12.249 -6.227 -5.795 1.00 11.24 N ATOM 693 CE2 TRP A 45 -12.341 -7.448 -6.415 1.00 61.11 C ATOM 694 CE3 TRP A 45 -11.091 -9.519 -6.512 1.00 54.23 C ATOM 695 CZ2 TRP A 45 -13.289 -7.937 -7.310 1.00 13.41 C ATOM 696 CZ3 TRP A 45 -12.025 -9.997 -7.393 1.00 73.42 C ATOM 697 CH2 TRP A 45 -13.110 -9.214 -7.783 1.00 31.24 C ATOM 0 H TRP A 45 -7.885 -9.669 -3.331 1.00 63.24 H new ATOM 0 HA TRP A 45 -9.268 -7.532 -2.172 1.00 62.33 H new ATOM 0 HB2 TRP A 45 -8.526 -7.037 -4.309 1.00 2.14 H new ATOM 0 HB3 TRP A 45 -8.760 -8.672 -4.895 1.00 2.14 H new ATOM 0 HD1 TRP A 45 -10.799 -5.374 -4.404 1.00 74.01 H new ATOM 0 HE1 TRP A 45 -12.906 -5.455 -5.906 1.00 11.24 H new ATOM 0 HE3 TRP A 45 -10.253 -10.132 -6.214 1.00 54.23 H new ATOM 0 HZ2 TRP A 45 -14.131 -7.336 -7.620 1.00 13.41 H new ATOM 0 HZ3 TRP A 45 -11.919 -10.995 -7.791 1.00 73.42 H new ATOM 0 HH2 TRP A 45 -13.830 -9.623 -8.476 1.00 31.24 H new ATOM 708 N LYS A 46 -11.346 -9.936 -3.173 1.00 63.13 N ATOM 709 CA LYS A 46 -12.726 -10.473 -3.064 1.00 52.44 C ATOM 710 C LYS A 46 -12.940 -11.229 -1.739 1.00 42.43 C ATOM 711 O LYS A 46 -14.050 -11.229 -1.194 1.00 24.43 O ATOM 712 CB LYS A 46 -13.032 -11.370 -4.297 1.00 4.32 C ATOM 713 CG LYS A 46 -14.243 -12.322 -4.169 1.00 53.55 C ATOM 714 CD LYS A 46 -14.603 -13.043 -5.488 1.00 11.10 C ATOM 715 CE LYS A 46 -15.105 -12.087 -6.578 1.00 21.43 C ATOM 716 NZ LYS A 46 -15.445 -12.805 -7.836 1.00 61.52 N ATOM 0 H LYS A 46 -10.730 -10.512 -3.747 1.00 63.13 H new ATOM 0 HA LYS A 46 -13.428 -9.639 -3.057 1.00 52.44 H new ATOM 0 HB2 LYS A 46 -13.196 -10.723 -5.159 1.00 4.32 H new ATOM 0 HB3 LYS A 46 -12.147 -11.969 -4.512 1.00 4.32 H new ATOM 0 HG2 LYS A 46 -14.029 -13.068 -3.403 1.00 53.55 H new ATOM 0 HG3 LYS A 46 -15.108 -11.753 -3.828 1.00 53.55 H new ATOM 0 HD2 LYS A 46 -13.726 -13.575 -5.856 1.00 11.10 H new ATOM 0 HD3 LYS A 46 -15.370 -13.792 -5.288 1.00 11.10 H new ATOM 0 HE2 LYS A 46 -15.984 -11.554 -6.216 1.00 21.43 H new ATOM 0 HE3 LYS A 46 -14.340 -11.338 -6.783 1.00 21.43 H new ATOM 0 HZ1 LYS A 46 -15.780 -12.122 -8.546 1.00 61.52 H new ATOM 0 HZ2 LYS A 46 -14.600 -13.293 -8.196 1.00 61.52 H new ATOM 0 HZ3 LYS A 46 -16.193 -13.502 -7.646 1.00 61.52 H new ATOM 730 N ALA A 47 -11.861 -11.838 -1.214 1.00 52.44 N ATOM 731 CA ALA A 47 -11.876 -12.538 0.085 1.00 73.40 C ATOM 732 C ALA A 47 -12.235 -11.559 1.216 1.00 30.12 C ATOM 733 O ALA A 47 -12.915 -11.922 2.179 1.00 34.42 O ATOM 734 CB ALA A 47 -10.514 -13.204 0.343 1.00 22.01 C ATOM 0 H ALA A 47 -10.953 -11.859 -1.678 1.00 52.44 H new ATOM 0 HA ALA A 47 -12.638 -13.317 0.059 1.00 73.40 H new ATOM 0 HB1 ALA A 47 -10.536 -13.718 1.304 1.00 22.01 H new ATOM 0 HB2 ALA A 47 -10.305 -13.924 -0.448 1.00 22.01 H new ATOM 0 HB3 ALA A 47 -9.734 -12.443 0.356 1.00 22.01 H new ATOM 740 N LYS A 48 -11.773 -10.310 1.056 1.00 35.20 N ATOM 741 CA LYS A 48 -12.057 -9.209 1.974 1.00 13.11 C ATOM 742 C LYS A 48 -13.438 -8.605 1.693 1.00 61.14 C ATOM 743 O LYS A 48 -14.226 -8.443 2.611 1.00 52.10 O ATOM 744 CB LYS A 48 -10.953 -8.132 1.845 1.00 33.13 C ATOM 745 CG LYS A 48 -9.577 -8.558 2.392 1.00 63.40 C ATOM 746 CD LYS A 48 -9.585 -8.822 3.911 1.00 42.32 C ATOM 747 CE LYS A 48 -9.903 -7.573 4.727 1.00 33.20 C ATOM 748 NZ LYS A 48 -9.800 -7.832 6.184 1.00 50.41 N ATOM 0 H LYS A 48 -11.182 -10.037 0.270 1.00 35.20 H new ATOM 0 HA LYS A 48 -12.065 -9.593 2.994 1.00 13.11 H new ATOM 0 HB2 LYS A 48 -10.845 -7.865 0.794 1.00 33.13 H new ATOM 0 HB3 LYS A 48 -11.276 -7.234 2.371 1.00 33.13 H new ATOM 0 HG2 LYS A 48 -9.250 -9.460 1.874 1.00 63.40 H new ATOM 0 HG3 LYS A 48 -8.847 -7.780 2.168 1.00 63.40 H new ATOM 0 HD2 LYS A 48 -10.320 -9.595 4.137 1.00 42.32 H new ATOM 0 HD3 LYS A 48 -8.612 -9.210 4.213 1.00 42.32 H new ATOM 0 HE2 LYS A 48 -9.217 -6.772 4.450 1.00 33.20 H new ATOM 0 HE3 LYS A 48 -10.909 -7.228 4.488 1.00 33.20 H new ATOM 0 HZ1 LYS A 48 -9.341 -7.023 6.649 1.00 50.41 H new ATOM 0 HZ2 LYS A 48 -10.752 -7.965 6.581 1.00 50.41 H new ATOM 0 HZ3 LYS A 48 -9.234 -8.690 6.345 1.00 50.41 H new ATOM 762 N ALA A 49 -13.722 -8.323 0.408 1.00 32.21 N ATOM 763 CA ALA A 49 -14.972 -7.654 -0.032 1.00 42.22 C ATOM 764 C ALA A 49 -16.243 -8.434 0.391 1.00 54.41 C ATOM 765 O ALA A 49 -17.256 -7.837 0.775 1.00 32.43 O ATOM 766 CB ALA A 49 -14.934 -7.445 -1.556 1.00 13.41 C ATOM 0 H ALA A 49 -13.092 -8.551 -0.361 1.00 32.21 H new ATOM 0 HA ALA A 49 -15.027 -6.686 0.466 1.00 42.22 H new ATOM 0 HB1 ALA A 49 -15.852 -6.954 -1.879 1.00 13.41 H new ATOM 0 HB2 ALA A 49 -14.078 -6.822 -1.817 1.00 13.41 H new ATOM 0 HB3 ALA A 49 -14.845 -8.411 -2.054 1.00 13.41 H new ATOM 772 N GLN A 50 -16.157 -9.775 0.320 1.00 43.52 N ATOM 773 CA GLN A 50 -17.240 -10.688 0.744 1.00 24.44 C ATOM 774 C GLN A 50 -17.267 -10.858 2.280 1.00 35.43 C ATOM 775 O GLN A 50 -18.315 -11.168 2.853 1.00 32.12 O ATOM 776 CB GLN A 50 -17.080 -12.062 0.039 1.00 1.12 C ATOM 777 CG GLN A 50 -17.329 -12.034 -1.489 1.00 44.43 C ATOM 778 CD GLN A 50 -17.043 -13.366 -2.203 1.00 73.23 C ATOM 779 OE1 GLN A 50 -17.730 -13.734 -3.165 1.00 43.23 O ATOM 780 NE2 GLN A 50 -15.987 -14.065 -1.802 1.00 31.32 N ATOM 0 H GLN A 50 -15.332 -10.260 -0.034 1.00 43.52 H new ATOM 0 HA GLN A 50 -18.193 -10.248 0.449 1.00 24.44 H new ATOM 0 HB2 GLN A 50 -16.073 -12.435 0.223 1.00 1.12 H new ATOM 0 HB3 GLN A 50 -17.771 -12.772 0.494 1.00 1.12 H new ATOM 0 HG2 GLN A 50 -18.366 -11.754 -1.671 1.00 44.43 H new ATOM 0 HG3 GLN A 50 -16.706 -11.257 -1.932 1.00 44.43 H new ATOM 0 HE21 GLN A 50 -15.435 -13.744 -1.007 1.00 31.32 H new ATOM 0 HE22 GLN A 50 -15.728 -14.923 -2.289 1.00 31.32 H new ATOM 789 N ALA A 51 -16.109 -10.663 2.933 1.00 65.32 N ATOM 790 CA ALA A 51 -16.013 -10.680 4.412 1.00 43.53 C ATOM 791 C ALA A 51 -16.511 -9.351 5.023 1.00 4.42 C ATOM 792 O ALA A 51 -16.906 -9.306 6.194 1.00 3.32 O ATOM 793 CB ALA A 51 -14.564 -10.966 4.847 1.00 31.12 C ATOM 0 H ALA A 51 -15.221 -10.491 2.463 1.00 65.32 H new ATOM 0 HA ALA A 51 -16.657 -11.477 4.784 1.00 43.53 H new ATOM 0 HB1 ALA A 51 -14.506 -10.976 5.935 1.00 31.12 H new ATOM 0 HB2 ALA A 51 -14.252 -11.935 4.458 1.00 31.12 H new ATOM 0 HB3 ALA A 51 -13.907 -10.189 4.456 1.00 31.12 H new ATOM 799 N THR A 52 -16.511 -8.276 4.206 1.00 23.04 N ATOM 800 CA THR A 52 -16.820 -6.904 4.655 1.00 21.21 C ATOM 801 C THR A 52 -18.041 -6.330 3.892 1.00 41.11 C ATOM 802 O THR A 52 -18.032 -5.174 3.443 1.00 44.51 O ATOM 803 CB THR A 52 -15.549 -5.986 4.477 1.00 1.50 C ATOM 804 OG1 THR A 52 -15.183 -5.896 3.091 1.00 15.54 O ATOM 805 CG2 THR A 52 -14.340 -6.500 5.292 1.00 53.33 C ATOM 0 H THR A 52 -16.295 -8.337 3.211 1.00 23.04 H new ATOM 0 HA THR A 52 -17.084 -6.930 5.712 1.00 21.21 H new ATOM 0 HB THR A 52 -15.817 -4.999 4.854 1.00 1.50 H new ATOM 0 HG1 THR A 52 -14.819 -6.756 2.792 1.00 15.54 H new ATOM 0 HG21 THR A 52 -13.489 -5.837 5.138 1.00 53.33 H new ATOM 0 HG22 THR A 52 -14.597 -6.521 6.351 1.00 53.33 H new ATOM 0 HG23 THR A 52 -14.080 -7.506 4.962 1.00 53.33 H new ATOM 813 N VAL A 53 -19.111 -7.149 3.777 1.00 63.43 N ATOM 814 CA VAL A 53 -20.398 -6.729 3.155 1.00 51.24 C ATOM 815 C VAL A 53 -21.192 -5.808 4.117 1.00 55.20 C ATOM 816 O VAL A 53 -22.003 -4.972 3.686 1.00 21.43 O ATOM 817 CB VAL A 53 -21.262 -7.984 2.734 1.00 41.31 C ATOM 818 CG1 VAL A 53 -22.591 -7.590 2.039 1.00 24.40 C ATOM 819 CG2 VAL A 53 -20.443 -8.925 1.829 1.00 31.31 C ATOM 0 H VAL A 53 -19.113 -8.114 4.108 1.00 63.43 H new ATOM 0 HA VAL A 53 -20.170 -6.164 2.251 1.00 51.24 H new ATOM 0 HB VAL A 53 -21.526 -8.507 3.653 1.00 41.31 H new ATOM 0 HG11 VAL A 53 -23.143 -8.491 1.772 1.00 24.40 H new ATOM 0 HG12 VAL A 53 -23.191 -6.985 2.718 1.00 24.40 H new ATOM 0 HG13 VAL A 53 -22.374 -7.017 1.138 1.00 24.40 H new ATOM 0 HG21 VAL A 53 -21.054 -9.783 1.549 1.00 31.31 H new ATOM 0 HG22 VAL A 53 -20.136 -8.390 0.931 1.00 31.31 H new ATOM 0 HG23 VAL A 53 -19.559 -9.269 2.366 1.00 31.31 H new ATOM 829 N ASP A 54 -20.919 -5.961 5.421 1.00 1.22 N ATOM 830 CA ASP A 54 -21.493 -5.115 6.492 1.00 43.12 C ATOM 831 C ASP A 54 -21.001 -3.659 6.386 1.00 44.02 C ATOM 832 O ASP A 54 -21.689 -2.720 6.809 1.00 41.22 O ATOM 833 CB ASP A 54 -21.103 -5.691 7.876 1.00 32.31 C ATOM 834 CG ASP A 54 -21.579 -7.136 8.076 1.00 42.44 C ATOM 835 OD1 ASP A 54 -20.874 -8.071 7.626 1.00 14.32 O ATOM 836 OD2 ASP A 54 -22.667 -7.348 8.655 1.00 4.33 O ATOM 0 H ASP A 54 -20.288 -6.681 5.771 1.00 1.22 H new ATOM 0 HA ASP A 54 -22.577 -5.117 6.377 1.00 43.12 H new ATOM 0 HB2 ASP A 54 -20.020 -5.652 7.988 1.00 32.31 H new ATOM 0 HB3 ASP A 54 -21.528 -5.062 8.659 1.00 32.31 H new ATOM 841 N ASN A 55 -19.796 -3.501 5.824 1.00 30.43 N ATOM 842 CA ASN A 55 -19.117 -2.205 5.683 1.00 42.30 C ATOM 843 C ASN A 55 -19.803 -1.311 4.642 1.00 41.55 C ATOM 844 O ASN A 55 -20.170 -1.774 3.554 1.00 21.31 O ATOM 845 CB ASN A 55 -17.636 -2.433 5.315 1.00 25.04 C ATOM 846 CG ASN A 55 -16.827 -2.988 6.489 1.00 50.15 C ATOM 847 OD1 ASN A 55 -16.828 -4.188 6.747 1.00 44.54 O ATOM 848 ND2 ASN A 55 -16.150 -2.119 7.219 1.00 44.50 N ATOM 0 H ASN A 55 -19.257 -4.281 5.449 1.00 30.43 H new ATOM 0 HA ASN A 55 -19.176 -1.685 6.639 1.00 42.30 H new ATOM 0 HB2 ASN A 55 -17.575 -3.125 4.475 1.00 25.04 H new ATOM 0 HB3 ASN A 55 -17.196 -1.492 4.986 1.00 25.04 H new ATOM 0 HD21 ASN A 55 -15.609 -2.440 8.022 1.00 44.50 H new ATOM 0 HD22 ASN A 55 -16.169 -1.128 6.979 1.00 44.50 H new ATOM 855 N ALA A 56 -19.945 -0.023 5.009 1.00 43.23 N ATOM 856 CA ALA A 56 -20.606 1.004 4.195 1.00 11.10 C ATOM 857 C ALA A 56 -19.832 1.274 2.894 1.00 61.53 C ATOM 858 O ALA A 56 -20.312 0.965 1.794 1.00 40.04 O ATOM 859 CB ALA A 56 -20.768 2.296 5.026 1.00 2.44 C ATOM 0 H ALA A 56 -19.595 0.335 5.898 1.00 43.23 H new ATOM 0 HA ALA A 56 -21.593 0.641 3.908 1.00 11.10 H new ATOM 0 HB1 ALA A 56 -21.259 3.058 4.421 1.00 2.44 H new ATOM 0 HB2 ALA A 56 -21.373 2.088 5.908 1.00 2.44 H new ATOM 0 HB3 ALA A 56 -19.786 2.655 5.336 1.00 2.44 H new ATOM 865 N HIS A 57 -18.626 1.844 3.026 1.00 2.22 N ATOM 866 CA HIS A 57 -17.784 2.212 1.874 1.00 74.20 C ATOM 867 C HIS A 57 -16.367 1.639 2.014 1.00 62.41 C ATOM 868 O HIS A 57 -15.473 2.041 1.276 1.00 4.40 O ATOM 869 CB HIS A 57 -17.717 3.757 1.703 1.00 3.34 C ATOM 870 CG HIS A 57 -19.026 4.448 1.413 1.00 11.10 C ATOM 871 ND1 HIS A 57 -19.301 5.731 1.843 1.00 73.42 N ATOM 872 CD2 HIS A 57 -20.121 4.051 0.717 1.00 23.32 C ATOM 873 CE1 HIS A 57 -20.499 6.087 1.425 1.00 73.42 C ATOM 874 NE2 HIS A 57 -21.019 5.088 0.741 1.00 34.21 N ATOM 0 H HIS A 57 -18.206 2.063 3.929 1.00 2.22 H new ATOM 0 HA HIS A 57 -18.244 1.781 0.985 1.00 74.20 H new ATOM 0 HB2 HIS A 57 -17.297 4.185 2.613 1.00 3.34 H new ATOM 0 HB3 HIS A 57 -17.023 3.983 0.894 1.00 3.34 H new ATOM 0 HD1 HIS A 57 -18.674 6.313 2.398 1.00 73.42 H new ATOM 0 HD2 HIS A 57 -20.260 3.095 0.233 1.00 23.32 H new ATOM 0 HE1 HIS A 57 -20.975 7.038 1.612 1.00 73.42 H new ATOM 883 N ALA A 58 -16.164 0.688 2.941 1.00 13.22 N ATOM 884 CA ALA A 58 -14.855 0.014 3.093 1.00 53.33 C ATOM 885 C ALA A 58 -14.669 -1.018 1.977 1.00 61.54 C ATOM 886 O ALA A 58 -15.204 -2.130 2.041 1.00 31.03 O ATOM 887 CB ALA A 58 -14.676 -0.622 4.482 1.00 45.14 C ATOM 0 H ALA A 58 -16.880 0.368 3.593 1.00 13.22 H new ATOM 0 HA ALA A 58 -14.078 0.774 3.007 1.00 53.33 H new ATOM 0 HB1 ALA A 58 -13.699 -1.103 4.539 1.00 45.14 H new ATOM 0 HB2 ALA A 58 -14.746 0.151 5.248 1.00 45.14 H new ATOM 0 HB3 ALA A 58 -15.456 -1.366 4.645 1.00 45.14 H new ATOM 893 N ARG A 59 -13.967 -0.589 0.919 1.00 74.31 N ATOM 894 CA ARG A 59 -13.659 -1.415 -0.260 1.00 65.45 C ATOM 895 C ARG A 59 -12.162 -1.746 -0.250 1.00 4.01 C ATOM 896 O ARG A 59 -11.321 -0.851 -0.125 1.00 40.15 O ATOM 897 CB ARG A 59 -14.079 -0.698 -1.582 1.00 22.44 C ATOM 898 CG ARG A 59 -15.551 -0.924 -2.011 1.00 51.14 C ATOM 899 CD ARG A 59 -16.572 -0.445 -0.964 1.00 53.04 C ATOM 900 NE ARG A 59 -17.951 -0.839 -1.299 1.00 21.52 N ATOM 901 CZ ARG A 59 -18.796 -1.484 -0.481 1.00 51.20 C ATOM 902 NH1 ARG A 59 -18.420 -1.854 0.750 1.00 71.22 N ATOM 903 NH2 ARG A 59 -20.014 -1.780 -0.906 1.00 22.40 N ATOM 0 H ARG A 59 -13.590 0.357 0.856 1.00 74.31 H new ATOM 0 HA ARG A 59 -14.232 -2.341 -0.215 1.00 65.45 H new ATOM 0 HB2 ARG A 59 -13.910 0.373 -1.466 1.00 22.44 H new ATOM 0 HB3 ARG A 59 -13.426 -1.038 -2.386 1.00 22.44 H new ATOM 0 HG2 ARG A 59 -15.732 -0.402 -2.950 1.00 51.14 H new ATOM 0 HG3 ARG A 59 -15.708 -1.986 -2.201 1.00 51.14 H new ATOM 0 HD2 ARG A 59 -16.307 -0.855 0.011 1.00 53.04 H new ATOM 0 HD3 ARG A 59 -16.518 0.640 -0.879 1.00 53.04 H new ATOM 0 HE ARG A 59 -18.292 -0.602 -2.231 1.00 21.52 H new ATOM 0 HH11 ARG A 59 -17.477 -1.646 1.079 1.00 71.22 H new ATOM 0 HH12 ARG A 59 -19.076 -2.344 1.358 1.00 71.22 H new ATOM 0 HH21 ARG A 59 -20.303 -1.518 -1.848 1.00 22.40 H new ATOM 0 HH22 ARG A 59 -20.664 -2.270 -0.291 1.00 22.40 H new ATOM 917 N TYR A 60 -11.865 -3.042 -0.359 1.00 75.20 N ATOM 918 CA TYR A 60 -10.513 -3.591 -0.212 1.00 4.54 C ATOM 919 C TYR A 60 -9.987 -4.022 -1.584 1.00 20.33 C ATOM 920 O TYR A 60 -10.346 -5.086 -2.093 1.00 31.43 O ATOM 921 CB TYR A 60 -10.552 -4.768 0.793 1.00 4.13 C ATOM 922 CG TYR A 60 -10.984 -4.347 2.214 1.00 41.53 C ATOM 923 CD1 TYR A 60 -12.322 -4.066 2.512 1.00 42.34 C ATOM 924 CD2 TYR A 60 -10.056 -4.205 3.246 1.00 34.44 C ATOM 925 CE1 TYR A 60 -12.707 -3.658 3.771 1.00 61.41 C ATOM 926 CE2 TYR A 60 -10.444 -3.809 4.510 1.00 43.32 C ATOM 927 CZ TYR A 60 -11.769 -3.530 4.767 1.00 2.32 C ATOM 928 OH TYR A 60 -12.157 -3.113 6.025 1.00 31.02 O ATOM 0 H TYR A 60 -12.569 -3.754 -0.555 1.00 75.20 H new ATOM 0 HA TYR A 60 -9.831 -2.837 0.180 1.00 4.54 H new ATOM 0 HB2 TYR A 60 -11.239 -5.529 0.423 1.00 4.13 H new ATOM 0 HB3 TYR A 60 -9.564 -5.227 0.842 1.00 4.13 H new ATOM 0 HD1 TYR A 60 -13.069 -4.171 1.739 1.00 42.34 H new ATOM 0 HD2 TYR A 60 -9.013 -4.409 3.052 1.00 34.44 H new ATOM 0 HE1 TYR A 60 -13.745 -3.439 3.974 1.00 61.41 H new ATOM 0 HE2 TYR A 60 -9.710 -3.718 5.297 1.00 43.32 H new ATOM 0 HH TYR A 60 -11.374 -3.076 6.613 1.00 31.02 H new ATOM 938 N PHE A 61 -9.167 -3.150 -2.180 1.00 73.31 N ATOM 939 CA PHE A 61 -8.634 -3.314 -3.542 1.00 45.13 C ATOM 940 C PHE A 61 -7.150 -3.753 -3.499 1.00 55.13 C ATOM 941 O PHE A 61 -6.667 -4.276 -2.488 1.00 64.14 O ATOM 942 CB PHE A 61 -8.784 -1.976 -4.319 1.00 12.12 C ATOM 943 CG PHE A 61 -10.215 -1.474 -4.509 1.00 25.42 C ATOM 944 CD1 PHE A 61 -11.158 -2.240 -5.196 1.00 40.22 C ATOM 945 CD2 PHE A 61 -10.608 -0.216 -4.037 1.00 64.23 C ATOM 946 CE1 PHE A 61 -12.443 -1.766 -5.399 1.00 14.40 C ATOM 947 CE2 PHE A 61 -11.888 0.253 -4.242 1.00 4.13 C ATOM 948 CZ PHE A 61 -12.807 -0.522 -4.922 1.00 52.53 C ATOM 0 H PHE A 61 -8.848 -2.295 -1.724 1.00 73.31 H new ATOM 0 HA PHE A 61 -9.199 -4.092 -4.055 1.00 45.13 H new ATOM 0 HB2 PHE A 61 -8.216 -1.208 -3.795 1.00 12.12 H new ATOM 0 HB3 PHE A 61 -8.327 -2.095 -5.302 1.00 12.12 H new ATOM 0 HD1 PHE A 61 -10.882 -3.214 -5.574 1.00 40.22 H new ATOM 0 HD2 PHE A 61 -9.897 0.397 -3.504 1.00 64.23 H new ATOM 0 HE1 PHE A 61 -13.162 -2.370 -5.932 1.00 14.40 H new ATOM 0 HE2 PHE A 61 -12.172 1.227 -3.871 1.00 4.13 H new ATOM 0 HZ PHE A 61 -13.810 -0.155 -5.081 1.00 52.53 H new ATOM 958 N ILE A 62 -6.446 -3.563 -4.638 1.00 13.24 N ATOM 959 CA ILE A 62 -5.035 -3.959 -4.818 1.00 71.12 C ATOM 960 C ILE A 62 -4.237 -2.723 -5.346 1.00 10.21 C ATOM 961 O ILE A 62 -4.850 -1.766 -5.817 1.00 24.22 O ATOM 962 CB ILE A 62 -4.941 -5.170 -5.858 1.00 71.21 C ATOM 963 CG1 ILE A 62 -6.204 -6.102 -5.782 1.00 15.01 C ATOM 964 CG2 ILE A 62 -3.665 -5.997 -5.612 1.00 34.32 C ATOM 965 CD1 ILE A 62 -6.337 -7.108 -6.913 1.00 11.23 C ATOM 0 H ILE A 62 -6.849 -3.125 -5.466 1.00 13.24 H new ATOM 0 HA ILE A 62 -4.612 -4.289 -3.869 1.00 71.12 H new ATOM 0 HB ILE A 62 -4.901 -4.736 -6.857 1.00 71.21 H new ATOM 0 HG12 ILE A 62 -6.179 -6.644 -4.837 1.00 15.01 H new ATOM 0 HG13 ILE A 62 -7.097 -5.476 -5.767 1.00 15.01 H new ATOM 0 HG21 ILE A 62 -3.619 -6.816 -6.329 1.00 34.32 H new ATOM 0 HG22 ILE A 62 -2.789 -5.359 -5.732 1.00 34.32 H new ATOM 0 HG23 ILE A 62 -3.683 -6.401 -4.600 1.00 34.32 H new ATOM 0 HD11 ILE A 62 -7.240 -7.702 -6.768 1.00 11.23 H new ATOM 0 HD12 ILE A 62 -6.399 -6.580 -7.864 1.00 11.23 H new ATOM 0 HD13 ILE A 62 -5.468 -7.765 -6.919 1.00 11.23 H new ATOM 977 N ILE A 63 -2.887 -2.729 -5.231 1.00 62.52 N ATOM 978 CA ILE A 63 -1.990 -1.711 -5.849 1.00 13.34 C ATOM 979 C ILE A 63 -0.739 -2.422 -6.399 1.00 41.33 C ATOM 980 O ILE A 63 -0.190 -3.312 -5.750 1.00 15.20 O ATOM 981 CB ILE A 63 -1.509 -0.565 -4.854 1.00 53.43 C ATOM 982 CG1 ILE A 63 -2.712 0.199 -4.232 1.00 11.05 C ATOM 983 CG2 ILE A 63 -0.552 0.438 -5.569 1.00 74.10 C ATOM 984 CD1 ILE A 63 -2.336 1.329 -3.287 1.00 75.12 C ATOM 0 H ILE A 63 -2.383 -3.443 -4.705 1.00 62.52 H new ATOM 0 HA ILE A 63 -2.576 -1.226 -6.629 1.00 13.34 H new ATOM 0 HB ILE A 63 -0.963 -1.054 -4.047 1.00 53.43 H new ATOM 0 HG12 ILE A 63 -3.320 0.608 -5.039 1.00 11.05 H new ATOM 0 HG13 ILE A 63 -3.336 -0.514 -3.692 1.00 11.05 H new ATOM 0 HG21 ILE A 63 -0.240 1.209 -4.864 1.00 74.10 H new ATOM 0 HG22 ILE A 63 0.326 -0.095 -5.935 1.00 74.10 H new ATOM 0 HG23 ILE A 63 -1.071 0.902 -6.408 1.00 74.10 H new ATOM 0 HD11 ILE A 63 -3.242 1.800 -2.905 1.00 75.12 H new ATOM 0 HD12 ILE A 63 -1.756 0.930 -2.455 1.00 75.12 H new ATOM 0 HD13 ILE A 63 -1.740 2.068 -3.823 1.00 75.12 H new ATOM 996 N HIS A 64 -0.286 -1.994 -7.587 1.00 1.52 N ATOM 997 CA HIS A 64 0.917 -2.543 -8.240 1.00 5.31 C ATOM 998 C HIS A 64 2.181 -1.888 -7.656 1.00 51.03 C ATOM 999 O HIS A 64 2.393 -0.685 -7.807 1.00 32.31 O ATOM 1000 CB HIS A 64 0.852 -2.409 -9.798 1.00 12.55 C ATOM 1001 CG HIS A 64 0.501 -1.046 -10.365 1.00 34.23 C ATOM 1002 ND1 HIS A 64 1.331 -0.344 -11.209 1.00 53.01 N ATOM 1003 CD2 HIS A 64 -0.635 -0.308 -10.284 1.00 73.31 C ATOM 1004 CE1 HIS A 64 0.723 0.746 -11.624 1.00 30.13 C ATOM 1005 NE2 HIS A 64 -0.466 0.788 -11.074 1.00 2.33 N ATOM 0 H HIS A 64 -0.742 -1.257 -8.124 1.00 1.52 H new ATOM 0 HA HIS A 64 0.960 -3.612 -8.031 1.00 5.31 H new ATOM 0 HB2 HIS A 64 1.820 -2.703 -10.203 1.00 12.55 H new ATOM 0 HB3 HIS A 64 0.120 -3.127 -10.168 1.00 12.55 H new ATOM 0 HD2 HIS A 64 -1.512 -0.546 -9.700 1.00 73.31 H new ATOM 0 HE1 HIS A 64 1.133 1.480 -12.302 1.00 30.13 H new ATOM 0 HE2 HIS A 64 -1.156 1.526 -11.216 1.00 2.33 H new ATOM 1014 N ALA A 65 2.993 -2.700 -6.961 1.00 34.01 N ATOM 1015 CA ALA A 65 4.216 -2.241 -6.270 1.00 34.13 C ATOM 1016 C ALA A 65 5.476 -2.435 -7.140 1.00 72.34 C ATOM 1017 O ALA A 65 6.599 -2.277 -6.637 1.00 45.03 O ATOM 1018 CB ALA A 65 4.339 -2.994 -4.927 1.00 3.23 C ATOM 0 H ALA A 65 2.821 -3.700 -6.860 1.00 34.01 H new ATOM 0 HA ALA A 65 4.137 -1.170 -6.082 1.00 34.13 H new ATOM 0 HB1 ALA A 65 5.238 -2.665 -4.406 1.00 3.23 H new ATOM 0 HB2 ALA A 65 3.465 -2.784 -4.311 1.00 3.23 H new ATOM 0 HB3 ALA A 65 4.401 -4.066 -5.115 1.00 3.23 H new ATOM 1024 N HIS A 66 5.270 -2.758 -8.451 1.00 65.51 N ATOM 1025 CA HIS A 66 6.360 -3.106 -9.410 1.00 41.13 C ATOM 1026 C HIS A 66 7.411 -1.987 -9.493 1.00 64.54 C ATOM 1027 O HIS A 66 8.604 -2.243 -9.686 1.00 33.13 O ATOM 1028 CB HIS A 66 5.765 -3.415 -10.813 1.00 34.21 C ATOM 1029 CG HIS A 66 6.746 -4.008 -11.806 1.00 14.10 C ATOM 1030 ND1 HIS A 66 7.036 -5.355 -11.853 1.00 10.01 N ATOM 1031 CD2 HIS A 66 7.504 -3.438 -12.782 1.00 12.40 C ATOM 1032 CE1 HIS A 66 7.922 -5.585 -12.800 1.00 5.45 C ATOM 1033 NE2 HIS A 66 8.223 -4.441 -13.376 1.00 12.32 N ATOM 0 H HIS A 66 4.341 -2.784 -8.872 1.00 65.51 H new ATOM 0 HA HIS A 66 6.863 -4.000 -9.042 1.00 41.13 H new ATOM 0 HB2 HIS A 66 4.930 -4.105 -10.693 1.00 34.21 H new ATOM 0 HB3 HIS A 66 5.360 -2.493 -11.231 1.00 34.21 H new ATOM 0 HD2 HIS A 66 7.533 -2.390 -13.040 1.00 12.40 H new ATOM 0 HE1 HIS A 66 8.332 -6.550 -13.060 1.00 5.45 H new ATOM 0 HE2 HIS A 66 8.886 -4.320 -14.142 1.00 12.32 H new ATOM 1042 N LYS A 67 6.941 -0.750 -9.358 1.00 72.13 N ATOM 1043 CA LYS A 67 7.792 0.413 -9.125 1.00 70.41 C ATOM 1044 C LYS A 67 7.211 1.200 -7.945 1.00 54.23 C ATOM 1045 O LYS A 67 6.017 1.550 -7.949 1.00 63.35 O ATOM 1046 CB LYS A 67 7.881 1.341 -10.367 1.00 13.32 C ATOM 1047 CG LYS A 67 8.882 2.504 -10.181 1.00 30.04 C ATOM 1048 CD LYS A 67 8.756 3.630 -11.228 1.00 20.22 C ATOM 1049 CE LYS A 67 9.763 4.758 -10.963 1.00 65.02 C ATOM 1050 NZ LYS A 67 9.558 5.927 -11.852 1.00 1.23 N ATOM 0 H LYS A 67 5.947 -0.524 -9.408 1.00 72.13 H new ATOM 0 HA LYS A 67 8.802 0.062 -8.913 1.00 70.41 H new ATOM 0 HB2 LYS A 67 8.176 0.751 -11.235 1.00 13.32 H new ATOM 0 HB3 LYS A 67 6.893 1.750 -10.580 1.00 13.32 H new ATOM 0 HG2 LYS A 67 8.743 2.931 -9.188 1.00 30.04 H new ATOM 0 HG3 LYS A 67 9.895 2.104 -10.217 1.00 30.04 H new ATOM 0 HD2 LYS A 67 8.920 3.221 -12.225 1.00 20.22 H new ATOM 0 HD3 LYS A 67 7.743 4.033 -11.211 1.00 20.22 H new ATOM 0 HE2 LYS A 67 9.680 5.077 -9.924 1.00 65.02 H new ATOM 0 HE3 LYS A 67 10.775 4.376 -11.099 1.00 65.02 H new ATOM 0 HZ1 LYS A 67 10.263 6.659 -11.632 1.00 1.23 H new ATOM 0 HZ2 LYS A 67 9.664 5.632 -12.844 1.00 1.23 H new ATOM 0 HZ3 LYS A 67 8.603 6.311 -11.705 1.00 1.23 H new ATOM 1064 N LEU A 68 8.048 1.438 -6.934 1.00 14.33 N ATOM 1065 CA LEU A 68 7.751 2.380 -5.849 1.00 42.13 C ATOM 1066 C LEU A 68 8.134 3.797 -6.298 1.00 64.01 C ATOM 1067 O LEU A 68 8.988 3.968 -7.174 1.00 51.14 O ATOM 1068 CB LEU A 68 8.525 1.978 -4.568 1.00 34.35 C ATOM 1069 CG LEU A 68 8.168 0.579 -3.983 1.00 20.32 C ATOM 1070 CD1 LEU A 68 9.036 0.222 -2.762 1.00 4.43 C ATOM 1071 CD2 LEU A 68 6.675 0.478 -3.646 1.00 4.41 C ATOM 0 H LEU A 68 8.956 0.982 -6.843 1.00 14.33 H new ATOM 0 HA LEU A 68 6.686 2.356 -5.619 1.00 42.13 H new ATOM 0 HB2 LEU A 68 9.593 2.000 -4.787 1.00 34.35 H new ATOM 0 HB3 LEU A 68 8.341 2.731 -3.802 1.00 34.35 H new ATOM 0 HG LEU A 68 8.388 -0.153 -4.760 1.00 20.32 H new ATOM 0 HD11 LEU A 68 8.751 -0.762 -2.388 1.00 4.43 H new ATOM 0 HD12 LEU A 68 10.086 0.209 -3.053 1.00 4.43 H new ATOM 0 HD13 LEU A 68 8.886 0.965 -1.979 1.00 4.43 H new ATOM 0 HD21 LEU A 68 6.460 -0.510 -3.240 1.00 4.41 H new ATOM 0 HD22 LEU A 68 6.416 1.237 -2.908 1.00 4.41 H new ATOM 0 HD23 LEU A 68 6.087 0.635 -4.550 1.00 4.41 H new ATOM 1083 N LEU A 69 7.496 4.803 -5.694 1.00 54.41 N ATOM 1084 CA LEU A 69 7.737 6.205 -6.028 1.00 3.33 C ATOM 1085 C LEU A 69 9.000 6.669 -5.308 1.00 65.34 C ATOM 1086 O LEU A 69 8.953 7.137 -4.166 1.00 23.41 O ATOM 1087 CB LEU A 69 6.493 7.057 -5.672 1.00 3.24 C ATOM 1088 CG LEU A 69 5.204 6.704 -6.479 1.00 21.21 C ATOM 1089 CD1 LEU A 69 4.004 7.527 -5.994 1.00 40.34 C ATOM 1090 CD2 LEU A 69 5.429 6.878 -7.998 1.00 5.20 C ATOM 0 H LEU A 69 6.800 4.667 -4.961 1.00 54.41 H new ATOM 0 HA LEU A 69 7.899 6.326 -7.099 1.00 3.33 H new ATOM 0 HB2 LEU A 69 6.282 6.940 -4.609 1.00 3.24 H new ATOM 0 HB3 LEU A 69 6.731 8.108 -5.836 1.00 3.24 H new ATOM 0 HG LEU A 69 4.977 5.653 -6.299 1.00 21.21 H new ATOM 0 HD11 LEU A 69 3.121 7.260 -6.574 1.00 40.34 H new ATOM 0 HD12 LEU A 69 3.822 7.319 -4.940 1.00 40.34 H new ATOM 0 HD13 LEU A 69 4.215 8.589 -6.123 1.00 40.34 H new ATOM 0 HD21 LEU A 69 4.514 6.625 -8.533 1.00 5.20 H new ATOM 0 HD22 LEU A 69 5.698 7.913 -8.210 1.00 5.20 H new ATOM 0 HD23 LEU A 69 6.234 6.219 -8.324 1.00 5.20 H new ATOM 1102 N ASP A 70 10.137 6.415 -5.972 1.00 72.42 N ATOM 1103 CA ASP A 70 11.465 6.760 -5.476 1.00 53.05 C ATOM 1104 C ASP A 70 11.834 8.192 -5.931 1.00 60.32 C ATOM 1105 O ASP A 70 11.970 8.451 -7.124 1.00 42.51 O ATOM 1106 CB ASP A 70 12.523 5.713 -5.960 1.00 11.43 C ATOM 1107 CG ASP A 70 12.624 5.567 -7.495 1.00 45.42 C ATOM 1108 OD1 ASP A 70 11.734 4.931 -8.108 1.00 51.31 O ATOM 1109 OD2 ASP A 70 13.573 6.114 -8.096 1.00 65.32 O ATOM 0 H ASP A 70 10.153 5.956 -6.883 1.00 72.42 H new ATOM 0 HA ASP A 70 11.460 6.737 -4.386 1.00 53.05 H new ATOM 0 HB2 ASP A 70 13.501 5.996 -5.569 1.00 11.43 H new ATOM 0 HB3 ASP A 70 12.277 4.742 -5.531 1.00 11.43 H new ATOM 1114 N PRO A 71 11.935 9.171 -4.984 1.00 4.21 N ATOM 1115 CA PRO A 71 12.538 10.504 -5.262 1.00 62.24 C ATOM 1116 C PRO A 71 14.088 10.434 -5.307 1.00 71.54 C ATOM 1117 O PRO A 71 14.753 11.435 -5.594 1.00 43.03 O ATOM 1118 CB PRO A 71 12.032 11.388 -4.077 1.00 31.51 C ATOM 1119 CG PRO A 71 11.061 10.525 -3.302 1.00 64.45 C ATOM 1120 CD PRO A 71 11.433 9.097 -3.597 1.00 41.22 C ATOM 0 HA PRO A 71 12.251 10.902 -6.235 1.00 62.24 H new ATOM 0 HB2 PRO A 71 12.861 11.707 -3.446 1.00 31.51 H new ATOM 0 HB3 PRO A 71 11.545 12.292 -4.444 1.00 31.51 H new ATOM 0 HG2 PRO A 71 11.126 10.731 -2.234 1.00 64.45 H new ATOM 0 HG3 PRO A 71 10.034 10.729 -3.604 1.00 64.45 H new ATOM 0 HD2 PRO A 71 12.194 8.727 -2.910 1.00 41.22 H new ATOM 0 HD3 PRO A 71 10.575 8.430 -3.512 1.00 41.22 H new ATOM 1128 N SER A 72 14.637 9.229 -5.022 1.00 62.02 N ATOM 1129 CA SER A 72 16.080 8.980 -4.918 1.00 65.20 C ATOM 1130 C SER A 72 16.725 8.835 -6.316 1.00 10.12 C ATOM 1131 O SER A 72 17.594 9.634 -6.685 1.00 72.34 O ATOM 1132 CB SER A 72 16.321 7.713 -4.053 1.00 63.42 C ATOM 1133 OG SER A 72 17.699 7.532 -3.751 1.00 72.41 O ATOM 0 H SER A 72 14.074 8.395 -4.857 1.00 62.02 H new ATOM 0 HA SER A 72 16.554 9.835 -4.435 1.00 65.20 H new ATOM 0 HB2 SER A 72 15.753 7.793 -3.126 1.00 63.42 H new ATOM 0 HB3 SER A 72 15.947 6.836 -4.581 1.00 63.42 H new ATOM 0 HG SER A 72 17.811 6.726 -3.204 1.00 72.41 H new ATOM 1227 N GLN B 105 -8.427 14.822 -0.607 1.00 64.24 N ATOM 1228 CA GLN B 105 -7.455 14.338 0.402 1.00 21.42 C ATOM 1229 C GLN B 105 -6.553 13.231 -0.184 1.00 24.31 C ATOM 1230 O GLN B 105 -5.502 12.929 0.387 1.00 22.51 O ATOM 1231 CB GLN B 105 -8.198 13.838 1.693 1.00 60.23 C ATOM 1232 CG GLN B 105 -9.547 13.092 1.484 1.00 30.34 C ATOM 1233 CD GLN B 105 -9.511 11.974 0.438 1.00 11.03 C ATOM 1234 OE1 GLN B 105 -9.857 12.181 -0.722 1.00 55.45 O ATOM 1235 NE2 GLN B 105 -9.029 10.814 0.811 1.00 23.00 N ATOM 0 HA GLN B 105 -6.814 15.173 0.683 1.00 21.42 H new ATOM 0 HB2 GLN B 105 -7.525 13.175 2.237 1.00 60.23 H new ATOM 0 HB3 GLN B 105 -8.383 14.700 2.334 1.00 60.23 H new ATOM 0 HG2 GLN B 105 -9.862 12.668 2.437 1.00 30.34 H new ATOM 0 HG3 GLN B 105 -10.306 13.818 1.192 1.00 30.34 H new ATOM 0 HE21 GLN B 105 -8.748 10.666 1.780 1.00 23.00 H new ATOM 0 HE22 GLN B 105 -8.934 10.059 0.132 1.00 23.00 H new ATOM 1244 N LEU B 106 -6.994 12.637 -1.324 1.00 22.35 N ATOM 1245 CA LEU B 106 -6.351 11.458 -1.952 1.00 32.04 C ATOM 1246 C LEU B 106 -4.898 11.786 -2.344 1.00 72.12 C ATOM 1247 O LEU B 106 -4.638 12.747 -3.072 1.00 70.25 O ATOM 1248 CB LEU B 106 -7.201 10.985 -3.185 1.00 44.05 C ATOM 1249 CG LEU B 106 -6.942 9.548 -3.775 1.00 34.40 C ATOM 1250 CD1 LEU B 106 -7.990 9.206 -4.855 1.00 52.40 C ATOM 1251 CD2 LEU B 106 -5.530 9.372 -4.362 1.00 13.01 C ATOM 0 H LEU B 106 -7.813 12.968 -1.835 1.00 22.35 H new ATOM 0 HA LEU B 106 -6.314 10.637 -1.236 1.00 32.04 H new ATOM 0 HB2 LEU B 106 -8.252 11.042 -2.903 1.00 44.05 H new ATOM 0 HB3 LEU B 106 -7.047 11.705 -3.989 1.00 44.05 H new ATOM 0 HG LEU B 106 -7.030 8.861 -2.933 1.00 34.40 H new ATOM 0 HD11 LEU B 106 -7.793 8.209 -5.250 1.00 52.40 H new ATOM 0 HD12 LEU B 106 -8.987 9.232 -4.416 1.00 52.40 H new ATOM 0 HD13 LEU B 106 -7.931 9.935 -5.663 1.00 52.40 H new ATOM 0 HD21 LEU B 106 -5.421 8.359 -4.750 1.00 13.01 H new ATOM 0 HD22 LEU B 106 -5.380 10.088 -5.170 1.00 13.01 H new ATOM 0 HD23 LEU B 106 -4.788 9.543 -3.582 1.00 13.01 H new ATOM 1263 N LEU B 107 -3.982 10.912 -1.925 1.00 14.15 N ATOM 1264 CA LEU B 107 -2.535 11.146 -2.021 1.00 64.21 C ATOM 1265 C LEU B 107 -1.778 9.824 -2.207 1.00 71.23 C ATOM 1266 O LEU B 107 -2.379 8.739 -2.233 1.00 42.13 O ATOM 1267 CB LEU B 107 -2.034 11.982 -0.783 1.00 73.31 C ATOM 1268 CG LEU B 107 -2.013 11.332 0.670 1.00 24.22 C ATOM 1269 CD1 LEU B 107 -3.266 10.496 0.998 1.00 25.43 C ATOM 1270 CD2 LEU B 107 -0.719 10.539 0.956 1.00 71.32 C ATOM 0 H LEU B 107 -4.222 10.014 -1.506 1.00 14.15 H new ATOM 0 HA LEU B 107 -2.324 11.742 -2.909 1.00 64.21 H new ATOM 0 HB2 LEU B 107 -1.018 12.310 -1.005 1.00 73.31 H new ATOM 0 HB3 LEU B 107 -2.653 12.878 -0.727 1.00 73.31 H new ATOM 0 HG LEU B 107 -2.029 12.185 1.348 1.00 24.22 H new ATOM 0 HD11 LEU B 107 -3.177 10.087 2.004 1.00 25.43 H new ATOM 0 HD12 LEU B 107 -4.151 11.129 0.941 1.00 25.43 H new ATOM 0 HD13 LEU B 107 -3.357 9.680 0.281 1.00 25.43 H new ATOM 0 HD21 LEU B 107 -0.764 10.120 1.961 1.00 71.32 H new ATOM 0 HD22 LEU B 107 -0.619 9.732 0.230 1.00 71.32 H new ATOM 0 HD23 LEU B 107 0.140 11.205 0.878 1.00 71.32 H new ATOM 1282 N HIS B 108 -0.455 9.942 -2.355 1.00 52.10 N ATOM 1283 CA HIS B 108 0.446 8.801 -2.569 1.00 60.45 C ATOM 1284 C HIS B 108 0.830 8.197 -1.212 1.00 50.23 C ATOM 1285 O HIS B 108 1.642 8.778 -0.489 1.00 20.42 O ATOM 1286 CB HIS B 108 1.714 9.269 -3.329 1.00 64.12 C ATOM 1287 CG HIS B 108 1.465 9.893 -4.681 1.00 74.41 C ATOM 1288 ND1 HIS B 108 2.481 10.384 -5.471 1.00 43.24 N ATOM 1289 CD2 HIS B 108 0.322 10.165 -5.344 1.00 74.05 C ATOM 1290 CE1 HIS B 108 1.970 10.939 -6.547 1.00 63.33 C ATOM 1291 NE2 HIS B 108 0.663 10.823 -6.493 1.00 4.20 N ATOM 0 H HIS B 108 0.027 10.840 -2.330 1.00 52.10 H new ATOM 0 HA HIS B 108 -0.058 8.042 -3.168 1.00 60.45 H new ATOM 0 HB2 HIS B 108 2.244 9.990 -2.707 1.00 64.12 H new ATOM 0 HB3 HIS B 108 2.376 8.413 -3.459 1.00 64.12 H new ATOM 0 HD1 HIS B 108 3.476 10.326 -5.254 1.00 43.24 H new ATOM 0 HD2 HIS B 108 -0.678 9.910 -5.026 1.00 74.05 H new ATOM 0 HE1 HIS B 108 2.530 11.411 -7.341 1.00 63.33 H new ATOM 1300 N ILE B 109 0.210 7.059 -0.855 1.00 2.02 N ATOM 1301 CA ILE B 109 0.404 6.425 0.466 1.00 15.10 C ATOM 1302 C ILE B 109 1.811 5.794 0.560 1.00 21.24 C ATOM 1303 O ILE B 109 2.400 5.412 -0.455 1.00 63.40 O ATOM 1304 CB ILE B 109 -0.717 5.357 0.771 1.00 61.20 C ATOM 1305 CG1 ILE B 109 -0.547 4.078 -0.110 1.00 42.14 C ATOM 1306 CG2 ILE B 109 -2.120 5.987 0.566 1.00 1.13 C ATOM 1307 CD1 ILE B 109 -1.613 3.003 0.060 1.00 1.31 C ATOM 0 H ILE B 109 -0.434 6.555 -1.465 1.00 2.02 H new ATOM 0 HA ILE B 109 0.322 7.203 1.225 1.00 15.10 H new ATOM 0 HB ILE B 109 -0.617 5.048 1.812 1.00 61.20 H new ATOM 0 HG12 ILE B 109 -0.529 4.382 -1.157 1.00 42.14 H new ATOM 0 HG13 ILE B 109 0.425 3.636 0.110 1.00 42.14 H new ATOM 0 HG21 ILE B 109 -2.888 5.243 0.779 1.00 1.13 H new ATOM 0 HG22 ILE B 109 -2.240 6.835 1.240 1.00 1.13 H new ATOM 0 HG23 ILE B 109 -2.219 6.326 -0.465 1.00 1.13 H new ATOM 0 HD11 ILE B 109 -1.392 2.164 -0.600 1.00 1.31 H new ATOM 0 HD12 ILE B 109 -1.621 2.659 1.094 1.00 1.31 H new ATOM 0 HD13 ILE B 109 -2.590 3.416 -0.192 1.00 1.31 H new ATOM 1319 N VAL B 110 2.326 5.674 1.786 1.00 62.41 N ATOM 1320 CA VAL B 110 3.733 5.294 2.049 1.00 24.40 C ATOM 1321 C VAL B 110 3.844 3.838 2.525 1.00 41.22 C ATOM 1322 O VAL B 110 3.158 3.412 3.467 1.00 1.20 O ATOM 1323 CB VAL B 110 4.405 6.287 3.084 1.00 34.33 C ATOM 1324 CG1 VAL B 110 4.943 7.533 2.364 1.00 64.51 C ATOM 1325 CG2 VAL B 110 3.405 6.697 4.200 1.00 61.21 C ATOM 0 H VAL B 110 1.783 5.837 2.634 1.00 62.41 H new ATOM 0 HA VAL B 110 4.277 5.371 1.107 1.00 24.40 H new ATOM 0 HB VAL B 110 5.240 5.766 3.553 1.00 34.33 H new ATOM 0 HG11 VAL B 110 5.401 8.204 3.091 1.00 64.51 H new ATOM 0 HG12 VAL B 110 5.688 7.234 1.626 1.00 64.51 H new ATOM 0 HG13 VAL B 110 4.122 8.047 1.863 1.00 64.51 H new ATOM 0 HG21 VAL B 110 3.895 7.379 4.895 1.00 61.21 H new ATOM 0 HG22 VAL B 110 2.543 7.192 3.752 1.00 61.21 H new ATOM 0 HG23 VAL B 110 3.074 5.808 4.737 1.00 61.21 H new ATOM 1335 N VAL B 111 4.721 3.085 1.839 1.00 25.31 N ATOM 1336 CA VAL B 111 4.942 1.647 2.061 1.00 60.42 C ATOM 1337 C VAL B 111 6.462 1.354 2.063 1.00 73.33 C ATOM 1338 O VAL B 111 7.239 2.062 1.410 1.00 2.01 O ATOM 1339 CB VAL B 111 4.230 0.764 0.954 1.00 64.14 C ATOM 1340 CG1 VAL B 111 2.694 0.976 0.946 1.00 3.11 C ATOM 1341 CG2 VAL B 111 4.825 1.021 -0.455 1.00 32.24 C ATOM 0 H VAL B 111 5.309 3.468 1.099 1.00 25.31 H new ATOM 0 HA VAL B 111 4.507 1.385 3.025 1.00 60.42 H new ATOM 0 HB VAL B 111 4.421 -0.277 1.215 1.00 64.14 H new ATOM 0 HG11 VAL B 111 2.245 0.353 0.173 1.00 3.11 H new ATOM 0 HG12 VAL B 111 2.284 0.701 1.918 1.00 3.11 H new ATOM 0 HG13 VAL B 111 2.472 2.023 0.742 1.00 3.11 H new ATOM 0 HG21 VAL B 111 4.311 0.397 -1.186 1.00 32.24 H new ATOM 0 HG22 VAL B 111 4.696 2.071 -0.719 1.00 32.24 H new ATOM 0 HG23 VAL B 111 5.887 0.776 -0.452 1.00 32.24 H new ATOM 1351 N GLY B 112 6.878 0.325 2.806 1.00 50.34 N ATOM 1352 CA GLY B 112 8.274 -0.119 2.798 1.00 5.24 C ATOM 1353 C GLY B 112 8.434 -1.500 3.407 1.00 23.31 C ATOM 1354 O GLY B 112 7.513 -2.309 3.331 1.00 65.20 O ATOM 0 H GLY B 112 6.269 -0.216 3.420 1.00 50.34 H new ATOM 0 HA2 GLY B 112 8.645 -0.129 1.773 1.00 5.24 H new ATOM 0 HA3 GLY B 112 8.885 0.594 3.351 1.00 5.24 H new ATOM 1358 N GLY B 113 9.608 -1.772 3.990 1.00 21.13 N ATOM 1359 CA GLY B 113 9.896 -3.063 4.631 1.00 35.03 C ATOM 1360 C GLY B 113 11.279 -3.554 4.259 1.00 61.32 C ATOM 1361 O GLY B 113 12.012 -2.837 3.567 1.00 21.54 O ATOM 0 H GLY B 113 10.382 -1.108 4.031 1.00 21.13 H new ATOM 0 HA2 GLY B 113 9.821 -2.961 5.714 1.00 35.03 H new ATOM 0 HA3 GLY B 113 9.151 -3.798 4.328 1.00 35.03 H new ATOM 1365 N GLU B 114 11.644 -4.781 4.698 1.00 30.14 N ATOM 1366 CA GLU B 114 12.993 -5.334 4.464 1.00 61.34 C ATOM 1367 C GLU B 114 13.030 -6.213 3.211 1.00 5.20 C ATOM 1368 O GLU B 114 12.127 -7.022 2.948 1.00 11.00 O ATOM 1369 CB GLU B 114 13.555 -6.080 5.710 1.00 24.24 C ATOM 1370 CG GLU B 114 13.991 -5.115 6.836 1.00 32.33 C ATOM 1371 CD GLU B 114 14.906 -5.737 7.891 1.00 0.33 C ATOM 1372 OE1 GLU B 114 16.148 -5.708 7.707 1.00 71.13 O ATOM 1373 OE2 GLU B 114 14.400 -6.237 8.915 1.00 72.22 O ATOM 0 H GLU B 114 11.023 -5.403 5.215 1.00 30.14 H new ATOM 0 HA GLU B 114 13.654 -4.485 4.289 1.00 61.34 H new ATOM 0 HB2 GLU B 114 12.795 -6.761 6.094 1.00 24.24 H new ATOM 0 HB3 GLU B 114 14.407 -6.690 5.410 1.00 24.24 H new ATOM 0 HG2 GLU B 114 14.502 -4.263 6.388 1.00 32.33 H new ATOM 0 HG3 GLU B 114 13.100 -4.728 7.330 1.00 32.33 H new ATOM 1380 N LEU B 115 14.109 -6.008 2.458 1.00 71.11 N ATOM 1381 CA LEU B 115 14.350 -6.599 1.144 1.00 42.34 C ATOM 1382 C LEU B 115 15.342 -7.781 1.255 1.00 11.04 C ATOM 1383 O LEU B 115 15.971 -7.999 2.298 1.00 71.12 O ATOM 1384 CB LEU B 115 14.918 -5.496 0.187 1.00 12.43 C ATOM 1385 CG LEU B 115 13.963 -4.308 -0.237 1.00 34.33 C ATOM 1386 CD1 LEU B 115 12.658 -4.815 -0.829 1.00 2.30 C ATOM 1387 CD2 LEU B 115 13.682 -3.307 0.890 1.00 41.44 C ATOM 0 H LEU B 115 14.871 -5.400 2.760 1.00 71.11 H new ATOM 0 HA LEU B 115 13.413 -6.984 0.741 1.00 42.34 H new ATOM 0 HB2 LEU B 115 15.797 -5.062 0.664 1.00 12.43 H new ATOM 0 HB3 LEU B 115 15.260 -5.989 -0.723 1.00 12.43 H new ATOM 0 HG LEU B 115 14.513 -3.766 -1.007 1.00 34.33 H new ATOM 0 HD11 LEU B 115 12.031 -3.968 -1.107 1.00 2.30 H new ATOM 0 HD12 LEU B 115 12.869 -5.416 -1.714 1.00 2.30 H new ATOM 0 HD13 LEU B 115 12.137 -5.425 -0.092 1.00 2.30 H new ATOM 0 HD21 LEU B 115 13.021 -2.522 0.523 1.00 41.44 H new ATOM 0 HD22 LEU B 115 13.206 -3.822 1.724 1.00 41.44 H new ATOM 0 HD23 LEU B 115 14.620 -2.864 1.225 1.00 41.44 H new ATOM 1399 N LYS B 116 15.437 -8.557 0.169 1.00 42.22 N ATOM 1400 CA LYS B 116 16.445 -9.628 0.009 1.00 73.23 C ATOM 1401 C LYS B 116 17.810 -9.010 -0.333 1.00 15.23 C ATOM 1402 O LYS B 116 18.835 -9.338 0.281 1.00 1.02 O ATOM 1403 CB LYS B 116 16.028 -10.624 -1.109 1.00 31.01 C ATOM 1404 CG LYS B 116 14.728 -11.400 -0.831 1.00 64.23 C ATOM 1405 CD LYS B 116 14.353 -12.411 -1.942 1.00 4.20 C ATOM 1406 CE LYS B 116 14.071 -11.744 -3.289 1.00 32.34 C ATOM 1407 NZ LYS B 116 13.750 -12.735 -4.353 1.00 22.15 N ATOM 0 H LYS B 116 14.814 -8.464 -0.634 1.00 42.22 H new ATOM 0 HA LYS B 116 16.514 -10.175 0.949 1.00 73.23 H new ATOM 0 HB2 LYS B 116 15.913 -10.073 -2.042 1.00 31.01 H new ATOM 0 HB3 LYS B 116 16.837 -11.339 -1.259 1.00 31.01 H new ATOM 0 HG2 LYS B 116 14.830 -11.934 0.114 1.00 64.23 H new ATOM 0 HG3 LYS B 116 13.911 -10.689 -0.709 1.00 64.23 H new ATOM 0 HD2 LYS B 116 15.165 -13.128 -2.061 1.00 4.20 H new ATOM 0 HD3 LYS B 116 13.473 -12.974 -1.631 1.00 4.20 H new ATOM 0 HE2 LYS B 116 13.239 -11.048 -3.180 1.00 32.34 H new ATOM 0 HE3 LYS B 116 14.939 -11.158 -3.591 1.00 32.34 H new ATOM 0 HZ1 LYS B 116 13.616 -12.241 -5.258 1.00 22.15 H new ATOM 0 HZ2 LYS B 116 14.532 -13.415 -4.442 1.00 22.15 H new ATOM 0 HZ3 LYS B 116 12.877 -13.242 -4.103 1.00 22.15 H new ATOM 1421 N ASP B 117 17.797 -8.121 -1.337 1.00 73.24 N ATOM 1422 CA ASP B 117 18.981 -7.355 -1.767 1.00 62.30 C ATOM 1423 C ASP B 117 19.038 -6.027 -0.979 1.00 22.40 C ATOM 1424 O ASP B 117 18.057 -5.638 -0.337 1.00 20.34 O ATOM 1425 CB ASP B 117 18.926 -7.102 -3.302 1.00 60.51 C ATOM 1426 CG ASP B 117 20.241 -6.513 -3.859 1.00 70.34 C ATOM 1427 OD1 ASP B 117 21.211 -7.276 -4.055 1.00 21.12 O ATOM 1428 OD2 ASP B 117 20.325 -5.282 -4.069 1.00 31.21 O ATOM 0 H ASP B 117 16.959 -7.910 -1.879 1.00 73.24 H new ATOM 0 HA ASP B 117 19.888 -7.923 -1.558 1.00 62.30 H new ATOM 0 HB2 ASP B 117 18.708 -8.040 -3.813 1.00 60.51 H new ATOM 0 HB3 ASP B 117 18.105 -6.420 -3.524 1.00 60.51 H new ATOM 1433 N VAL B 118 20.197 -5.360 -0.994 1.00 14.41 N ATOM 1434 CA VAL B 118 20.400 -4.087 -0.279 1.00 32.20 C ATOM 1435 C VAL B 118 19.729 -2.905 -1.018 1.00 43.44 C ATOM 1436 O VAL B 118 19.034 -2.105 -0.401 1.00 40.55 O ATOM 1437 CB VAL B 118 21.932 -3.806 -0.037 1.00 33.30 C ATOM 1438 CG1 VAL B 118 22.500 -4.778 1.026 1.00 42.22 C ATOM 1439 CG2 VAL B 118 22.759 -3.892 -1.346 1.00 25.35 C ATOM 0 H VAL B 118 21.022 -5.683 -1.500 1.00 14.41 H new ATOM 0 HA VAL B 118 19.918 -4.182 0.694 1.00 32.20 H new ATOM 0 HB VAL B 118 22.017 -2.784 0.332 1.00 33.30 H new ATOM 0 HG11 VAL B 118 23.559 -4.570 1.181 1.00 42.22 H new ATOM 0 HG12 VAL B 118 21.963 -4.644 1.965 1.00 42.22 H new ATOM 0 HG13 VAL B 118 22.379 -5.805 0.682 1.00 42.22 H new ATOM 0 HG21 VAL B 118 23.808 -3.691 -1.128 1.00 25.35 H new ATOM 0 HG22 VAL B 118 22.662 -4.890 -1.773 1.00 25.35 H new ATOM 0 HG23 VAL B 118 22.389 -3.155 -2.059 1.00 25.35 H new ATOM 1449 N ALA B 119 19.924 -2.822 -2.344 1.00 41.10 N ATOM 1450 CA ALA B 119 19.384 -1.726 -3.188 1.00 22.00 C ATOM 1451 C ALA B 119 18.119 -2.159 -3.951 1.00 5.44 C ATOM 1452 O ALA B 119 17.304 -1.313 -4.340 1.00 10.32 O ATOM 1453 CB ALA B 119 20.465 -1.254 -4.169 1.00 2.31 C ATOM 0 H ALA B 119 20.461 -3.512 -2.869 1.00 41.10 H new ATOM 0 HA ALA B 119 19.099 -0.903 -2.533 1.00 22.00 H new ATOM 0 HB1 ALA B 119 20.068 -0.450 -4.788 1.00 2.31 H new ATOM 0 HB2 ALA B 119 21.328 -0.891 -3.612 1.00 2.31 H new ATOM 0 HB3 ALA B 119 20.767 -2.086 -4.805 1.00 2.31 H new ATOM 1459 N GLY B 120 17.981 -3.482 -4.147 1.00 13.03 N ATOM 1460 CA GLY B 120 16.898 -4.073 -4.945 1.00 22.13 C ATOM 1461 C GLY B 120 15.572 -4.089 -4.204 1.00 51.34 C ATOM 1462 O GLY B 120 15.547 -4.372 -3.006 1.00 43.44 O ATOM 0 H GLY B 120 18.621 -4.172 -3.754 1.00 13.03 H new ATOM 0 HA2 GLY B 120 16.786 -3.511 -5.872 1.00 22.13 H new ATOM 0 HA3 GLY B 120 17.169 -5.092 -5.221 1.00 22.13 H new ATOM 1466 N VAL B 121 14.466 -3.835 -4.937 1.00 25.14 N ATOM 1467 CA VAL B 121 13.089 -3.716 -4.376 1.00 4.42 C ATOM 1468 C VAL B 121 12.408 -5.119 -4.243 1.00 31.22 C ATOM 1469 O VAL B 121 11.181 -5.246 -4.175 1.00 35.32 O ATOM 1470 CB VAL B 121 12.213 -2.719 -5.265 1.00 45.54 C ATOM 1471 CG1 VAL B 121 10.897 -2.297 -4.560 1.00 32.23 C ATOM 1472 CG2 VAL B 121 13.032 -1.464 -5.685 1.00 44.22 C ATOM 0 H VAL B 121 14.498 -3.704 -5.948 1.00 25.14 H new ATOM 0 HA VAL B 121 13.160 -3.299 -3.372 1.00 4.42 H new ATOM 0 HB VAL B 121 11.938 -3.270 -6.164 1.00 45.54 H new ATOM 0 HG11 VAL B 121 10.339 -1.620 -5.206 1.00 32.23 H new ATOM 0 HG12 VAL B 121 10.294 -3.182 -4.355 1.00 32.23 H new ATOM 0 HG13 VAL B 121 11.132 -1.793 -3.623 1.00 32.23 H new ATOM 0 HG21 VAL B 121 12.406 -0.807 -6.289 1.00 44.22 H new ATOM 0 HG22 VAL B 121 13.364 -0.931 -4.794 1.00 44.22 H new ATOM 0 HG23 VAL B 121 13.900 -1.774 -6.267 1.00 44.22 H new ATOM 1482 N GLU B 122 13.231 -6.169 -4.110 1.00 52.23 N ATOM 1483 CA GLU B 122 12.758 -7.553 -3.990 1.00 53.43 C ATOM 1484 C GLU B 122 12.477 -7.901 -2.518 1.00 72.54 C ATOM 1485 O GLU B 122 13.387 -8.290 -1.795 1.00 24.43 O ATOM 1486 CB GLU B 122 13.813 -8.508 -4.590 1.00 24.23 C ATOM 1487 CG GLU B 122 14.183 -8.213 -6.047 1.00 75.40 C ATOM 1488 CD GLU B 122 12.963 -8.244 -6.982 1.00 54.01 C ATOM 1489 OE1 GLU B 122 12.587 -9.339 -7.443 1.00 32.11 O ATOM 1490 OE2 GLU B 122 12.369 -7.173 -7.250 1.00 11.54 O ATOM 0 H GLU B 122 14.247 -6.080 -4.083 1.00 52.23 H new ATOM 0 HA GLU B 122 11.825 -7.665 -4.542 1.00 53.43 H new ATOM 0 HB2 GLU B 122 14.716 -8.459 -3.982 1.00 24.23 H new ATOM 0 HB3 GLU B 122 13.439 -9.530 -4.523 1.00 24.23 H new ATOM 0 HG2 GLU B 122 14.658 -7.234 -6.107 1.00 75.40 H new ATOM 0 HG3 GLU B 122 14.916 -8.944 -6.387 1.00 75.40 H new ATOM 1497 N PHE B 123 11.215 -7.720 -2.089 1.00 51.33 N ATOM 1498 CA PHE B 123 10.788 -7.917 -0.681 1.00 14.30 C ATOM 1499 C PHE B 123 11.072 -9.349 -0.192 1.00 35.12 C ATOM 1500 O PHE B 123 10.614 -10.322 -0.801 1.00 35.01 O ATOM 1501 CB PHE B 123 9.286 -7.571 -0.521 1.00 32.25 C ATOM 1502 CG PHE B 123 8.952 -6.117 -0.865 1.00 62.53 C ATOM 1503 CD1 PHE B 123 9.334 -5.087 -0.003 1.00 2.20 C ATOM 1504 CD2 PHE B 123 8.262 -5.780 -2.035 1.00 43.14 C ATOM 1505 CE1 PHE B 123 9.033 -3.766 -0.295 1.00 1.11 C ATOM 1506 CE2 PHE B 123 7.966 -4.457 -2.327 1.00 11.23 C ATOM 1507 CZ PHE B 123 8.353 -3.453 -1.456 1.00 65.34 C ATOM 0 H PHE B 123 10.456 -7.432 -2.707 1.00 51.33 H new ATOM 0 HA PHE B 123 11.374 -7.240 -0.059 1.00 14.30 H new ATOM 0 HB2 PHE B 123 8.700 -8.231 -1.160 1.00 32.25 H new ATOM 0 HB3 PHE B 123 8.983 -7.771 0.507 1.00 32.25 H new ATOM 0 HD1 PHE B 123 9.871 -5.323 0.904 1.00 2.20 H new ATOM 0 HD2 PHE B 123 7.957 -6.559 -2.718 1.00 43.14 H new ATOM 0 HE1 PHE B 123 9.330 -2.981 0.385 1.00 1.11 H new ATOM 0 HE2 PHE B 123 7.434 -4.210 -3.234 1.00 11.23 H new ATOM 0 HZ PHE B 123 8.123 -2.423 -1.685 1.00 65.34 H new ATOM 1517 N ARG B 124 11.849 -9.454 0.904 1.00 20.44 N ATOM 1518 CA ARG B 124 12.247 -10.751 1.485 1.00 54.43 C ATOM 1519 C ARG B 124 11.034 -11.515 2.008 1.00 34.21 C ATOM 1520 O ARG B 124 10.884 -12.719 1.773 1.00 64.20 O ATOM 1521 CB ARG B 124 13.282 -10.568 2.628 1.00 12.44 C ATOM 1522 CG ARG B 124 13.759 -11.901 3.255 1.00 31.12 C ATOM 1523 CD ARG B 124 14.771 -11.729 4.395 1.00 35.32 C ATOM 1524 NE ARG B 124 15.085 -13.018 5.038 1.00 33.53 N ATOM 1525 CZ ARG B 124 15.933 -13.187 6.061 1.00 23.52 C ATOM 1526 NH1 ARG B 124 16.580 -12.146 6.592 1.00 61.52 N ATOM 1527 NH2 ARG B 124 16.125 -14.397 6.553 1.00 54.35 N ATOM 0 H ARG B 124 12.216 -8.647 1.409 1.00 20.44 H new ATOM 0 HA ARG B 124 12.711 -11.329 0.686 1.00 54.43 H new ATOM 0 HB2 ARG B 124 14.147 -10.029 2.240 1.00 12.44 H new ATOM 0 HB3 ARG B 124 12.842 -9.946 3.408 1.00 12.44 H new ATOM 0 HG2 ARG B 124 12.892 -12.444 3.632 1.00 31.12 H new ATOM 0 HG3 ARG B 124 14.207 -12.517 2.475 1.00 31.12 H new ATOM 0 HD2 ARG B 124 15.686 -11.283 4.006 1.00 35.32 H new ATOM 0 HD3 ARG B 124 14.370 -11.039 5.138 1.00 35.32 H new ATOM 0 HE ARG B 124 14.618 -13.849 4.674 1.00 33.53 H new ATOM 0 HH11 ARG B 124 16.431 -11.209 6.219 1.00 61.52 H new ATOM 0 HH12 ARG B 124 17.223 -12.289 7.371 1.00 61.52 H new ATOM 0 HH21 ARG B 124 15.629 -15.194 6.154 1.00 54.35 H new ATOM 0 HH22 ARG B 124 16.769 -14.535 7.332 1.00 54.35 H new ATOM 1541 N ASP B 125 10.168 -10.791 2.713 1.00 13.32 N ATOM 1542 CA ASP B 125 8.965 -11.343 3.311 1.00 41.14 C ATOM 1543 C ASP B 125 7.881 -10.271 3.289 1.00 31.40 C ATOM 1544 O ASP B 125 8.140 -9.093 3.568 1.00 41.42 O ATOM 1545 CB ASP B 125 9.250 -11.841 4.745 1.00 72.22 C ATOM 1546 CG ASP B 125 8.039 -12.533 5.392 1.00 22.12 C ATOM 1547 OD1 ASP B 125 7.739 -13.686 5.013 1.00 75.03 O ATOM 1548 OD2 ASP B 125 7.388 -11.937 6.279 1.00 3.30 O ATOM 0 H ASP B 125 10.288 -9.793 2.885 1.00 13.32 H new ATOM 0 HA ASP B 125 8.622 -12.207 2.741 1.00 41.14 H new ATOM 0 HB2 ASP B 125 10.089 -12.536 4.722 1.00 72.22 H new ATOM 0 HB3 ASP B 125 9.552 -10.996 5.364 1.00 72.22 H new ATOM 1553 N LEU B 126 6.674 -10.698 2.944 1.00 20.10 N ATOM 1554 CA LEU B 126 5.542 -9.809 2.653 1.00 1.34 C ATOM 1555 C LEU B 126 4.733 -9.456 3.907 1.00 13.13 C ATOM 1556 O LEU B 126 3.913 -8.529 3.886 1.00 53.22 O ATOM 1557 CB LEU B 126 4.681 -10.478 1.574 1.00 24.11 C ATOM 1558 CG LEU B 126 5.442 -10.779 0.245 1.00 4.25 C ATOM 1559 CD1 LEU B 126 4.642 -11.738 -0.632 1.00 51.25 C ATOM 1560 CD2 LEU B 126 5.810 -9.482 -0.511 1.00 12.24 C ATOM 0 H LEU B 126 6.443 -11.688 2.855 1.00 20.10 H new ATOM 0 HA LEU B 126 5.916 -8.854 2.285 1.00 1.34 H new ATOM 0 HB2 LEU B 126 4.282 -11.412 1.971 1.00 24.11 H new ATOM 0 HB3 LEU B 126 3.829 -9.835 1.354 1.00 24.11 H new ATOM 0 HG LEU B 126 6.381 -11.269 0.503 1.00 4.25 H new ATOM 0 HD11 LEU B 126 5.192 -11.933 -1.553 1.00 51.25 H new ATOM 0 HD12 LEU B 126 4.485 -12.675 -0.097 1.00 51.25 H new ATOM 0 HD13 LEU B 126 3.677 -11.292 -0.873 1.00 51.25 H new ATOM 0 HD21 LEU B 126 6.338 -9.734 -1.430 1.00 12.24 H new ATOM 0 HD22 LEU B 126 4.901 -8.932 -0.754 1.00 12.24 H new ATOM 0 HD23 LEU B 126 6.451 -8.864 0.118 1.00 12.24 H new ATOM 1572 N SER B 127 4.964 -10.214 4.991 1.00 21.23 N ATOM 1573 CA SER B 127 4.525 -9.833 6.340 1.00 22.33 C ATOM 1574 C SER B 127 5.555 -8.856 6.950 1.00 51.23 C ATOM 1575 O SER B 127 5.240 -8.102 7.876 1.00 21.32 O ATOM 1576 CB SER B 127 4.343 -11.097 7.218 1.00 35.14 C ATOM 1577 OG SER B 127 3.892 -10.781 8.524 1.00 51.54 O ATOM 0 H SER B 127 5.459 -11.105 4.956 1.00 21.23 H new ATOM 0 HA SER B 127 3.560 -9.329 6.291 1.00 22.33 H new ATOM 0 HB2 SER B 127 3.629 -11.769 6.741 1.00 35.14 H new ATOM 0 HB3 SER B 127 5.290 -11.632 7.282 1.00 35.14 H new ATOM 0 HG SER B 127 3.789 -11.606 9.043 1.00 51.54 H new ATOM 1583 N LYS B 128 6.800 -8.867 6.402 1.00 4.02 N ATOM 1584 CA LYS B 128 7.872 -7.917 6.809 1.00 31.45 C ATOM 1585 C LYS B 128 7.828 -6.626 5.967 1.00 13.22 C ATOM 1586 O LYS B 128 8.635 -5.715 6.198 1.00 2.23 O ATOM 1587 CB LYS B 128 9.284 -8.579 6.727 1.00 73.24 C ATOM 1588 CG LYS B 128 9.599 -9.698 7.767 1.00 13.33 C ATOM 1589 CD LYS B 128 9.849 -9.215 9.232 1.00 54.40 C ATOM 1590 CE LYS B 128 8.570 -8.898 10.035 1.00 2.14 C ATOM 1591 NZ LYS B 128 7.653 -10.070 10.135 1.00 74.13 N ATOM 0 H LYS B 128 7.086 -9.524 5.676 1.00 4.02 H new ATOM 0 HA LYS B 128 7.686 -7.649 7.849 1.00 31.45 H new ATOM 0 HB2 LYS B 128 9.404 -9.000 5.729 1.00 73.24 H new ATOM 0 HB3 LYS B 128 10.033 -7.795 6.835 1.00 73.24 H new ATOM 0 HG2 LYS B 128 8.769 -10.405 7.774 1.00 13.33 H new ATOM 0 HG3 LYS B 128 10.480 -10.244 7.429 1.00 13.33 H new ATOM 0 HD2 LYS B 128 10.413 -9.983 9.762 1.00 54.40 H new ATOM 0 HD3 LYS B 128 10.474 -8.323 9.204 1.00 54.40 H new ATOM 0 HE2 LYS B 128 8.846 -8.570 11.037 1.00 2.14 H new ATOM 0 HE3 LYS B 128 8.044 -8.069 9.562 1.00 2.14 H new ATOM 0 HZ1 LYS B 128 6.947 -9.896 10.879 1.00 74.13 H new ATOM 0 HZ2 LYS B 128 7.169 -10.211 9.225 1.00 74.13 H new ATOM 0 HZ3 LYS B 128 8.202 -10.921 10.371 1.00 74.13 H new ATOM 1605 N VAL B 129 6.910 -6.569 4.974 1.00 31.41 N ATOM 1606 CA VAL B 129 6.560 -5.312 4.291 1.00 64.35 C ATOM 1607 C VAL B 129 5.828 -4.408 5.299 1.00 54.20 C ATOM 1608 O VAL B 129 4.637 -4.585 5.576 1.00 30.54 O ATOM 1609 CB VAL B 129 5.686 -5.557 2.995 1.00 52.43 C ATOM 1610 CG1 VAL B 129 5.187 -4.230 2.353 1.00 12.41 C ATOM 1611 CG2 VAL B 129 6.480 -6.383 1.966 1.00 23.32 C ATOM 0 H VAL B 129 6.400 -7.383 4.631 1.00 31.41 H new ATOM 0 HA VAL B 129 7.472 -4.826 3.945 1.00 64.35 H new ATOM 0 HB VAL B 129 4.802 -6.114 3.304 1.00 52.43 H new ATOM 0 HG11 VAL B 129 4.593 -4.455 1.468 1.00 12.41 H new ATOM 0 HG12 VAL B 129 4.575 -3.686 3.072 1.00 12.41 H new ATOM 0 HG13 VAL B 129 6.044 -3.619 2.069 1.00 12.41 H new ATOM 0 HG21 VAL B 129 5.868 -6.545 1.079 1.00 23.32 H new ATOM 0 HG22 VAL B 129 7.386 -5.844 1.688 1.00 23.32 H new ATOM 0 HG23 VAL B 129 6.749 -7.345 2.402 1.00 23.32 H new ATOM 1621 N GLU B 130 6.602 -3.502 5.912 1.00 34.41 N ATOM 1622 CA GLU B 130 6.102 -2.552 6.904 1.00 2.50 C ATOM 1623 C GLU B 130 5.480 -1.342 6.184 1.00 53.44 C ATOM 1624 O GLU B 130 6.192 -0.515 5.594 1.00 22.22 O ATOM 1625 CB GLU B 130 7.244 -2.094 7.842 1.00 32.25 C ATOM 1626 CG GLU B 130 6.774 -1.157 8.975 1.00 4.50 C ATOM 1627 CD GLU B 130 7.928 -0.584 9.800 1.00 10.51 C ATOM 1628 OE1 GLU B 130 8.513 -1.316 10.628 1.00 24.31 O ATOM 1629 OE2 GLU B 130 8.266 0.604 9.620 1.00 73.53 O ATOM 0 H GLU B 130 7.601 -3.411 5.729 1.00 34.41 H new ATOM 0 HA GLU B 130 5.340 -3.039 7.513 1.00 2.50 H new ATOM 0 HB2 GLU B 130 7.717 -2.973 8.281 1.00 32.25 H new ATOM 0 HB3 GLU B 130 8.005 -1.584 7.252 1.00 32.25 H new ATOM 0 HG2 GLU B 130 6.201 -0.336 8.545 1.00 4.50 H new ATOM 0 HG3 GLU B 130 6.101 -1.704 9.635 1.00 4.50 H new ATOM 1636 N PHE B 131 4.151 -1.265 6.227 1.00 73.54 N ATOM 1637 CA PHE B 131 3.388 -0.157 5.646 1.00 1.32 C ATOM 1638 C PHE B 131 3.490 1.044 6.594 1.00 23.34 C ATOM 1639 O PHE B 131 3.026 0.982 7.740 1.00 1.32 O ATOM 1640 CB PHE B 131 1.917 -0.589 5.431 1.00 14.43 C ATOM 1641 CG PHE B 131 1.777 -1.837 4.558 1.00 3.33 C ATOM 1642 CD1 PHE B 131 1.728 -1.736 3.170 1.00 10.24 C ATOM 1643 CD2 PHE B 131 1.714 -3.114 5.126 1.00 63.20 C ATOM 1644 CE1 PHE B 131 1.616 -2.860 2.381 1.00 54.13 C ATOM 1645 CE2 PHE B 131 1.602 -4.235 4.331 1.00 51.51 C ATOM 1646 CZ PHE B 131 1.556 -4.106 2.959 1.00 74.02 C ATOM 0 H PHE B 131 3.567 -1.975 6.669 1.00 73.54 H new ATOM 0 HA PHE B 131 3.791 0.123 4.673 1.00 1.32 H new ATOM 0 HB2 PHE B 131 1.455 -0.778 6.400 1.00 14.43 H new ATOM 0 HB3 PHE B 131 1.368 0.232 4.971 1.00 14.43 H new ATOM 0 HD1 PHE B 131 1.779 -0.762 2.705 1.00 10.24 H new ATOM 0 HD2 PHE B 131 1.754 -3.223 6.200 1.00 63.20 H new ATOM 0 HE1 PHE B 131 1.575 -2.762 1.306 1.00 54.13 H new ATOM 0 HE2 PHE B 131 1.550 -5.214 4.783 1.00 51.51 H new ATOM 0 HZ PHE B 131 1.473 -4.985 2.337 1.00 74.02 H new ATOM 1656 N VAL B 132 4.147 2.110 6.110 1.00 40.43 N ATOM 1657 CA VAL B 132 4.430 3.318 6.903 1.00 14.23 C ATOM 1658 C VAL B 132 3.121 4.077 7.239 1.00 50.42 C ATOM 1659 O VAL B 132 3.021 4.734 8.281 1.00 32.43 O ATOM 1660 CB VAL B 132 5.454 4.251 6.147 1.00 64.15 C ATOM 1661 CG1 VAL B 132 5.801 5.526 6.957 1.00 50.13 C ATOM 1662 CG2 VAL B 132 6.732 3.466 5.757 1.00 64.31 C ATOM 0 H VAL B 132 4.498 2.159 5.154 1.00 40.43 H new ATOM 0 HA VAL B 132 4.886 3.012 7.844 1.00 14.23 H new ATOM 0 HB VAL B 132 4.966 4.587 5.232 1.00 64.15 H new ATOM 0 HG11 VAL B 132 6.509 6.134 6.393 1.00 50.13 H new ATOM 0 HG12 VAL B 132 4.893 6.101 7.138 1.00 50.13 H new ATOM 0 HG13 VAL B 132 6.246 5.241 7.910 1.00 50.13 H new ATOM 0 HG21 VAL B 132 7.423 4.130 5.237 1.00 64.31 H new ATOM 0 HG22 VAL B 132 7.210 3.078 6.657 1.00 64.31 H new ATOM 0 HG23 VAL B 132 6.464 2.637 5.102 1.00 64.31 H new ATOM 1672 N GLY B 133 2.122 3.961 6.343 1.00 4.23 N ATOM 1673 CA GLY B 133 0.782 4.515 6.567 1.00 54.14 C ATOM 1674 C GLY B 133 0.323 5.371 5.397 1.00 14.25 C ATOM 1675 O GLY B 133 0.545 5.002 4.233 1.00 54.54 O ATOM 0 H GLY B 133 2.225 3.482 5.448 1.00 4.23 H new ATOM 0 HA2 GLY B 133 0.073 3.701 6.722 1.00 54.14 H new ATOM 0 HA3 GLY B 133 0.784 5.114 7.477 1.00 54.14 H new ATOM 1679 N ALA B 134 -0.320 6.505 5.709 1.00 14.14 N ATOM 1680 CA ALA B 134 -0.771 7.490 4.712 1.00 40.01 C ATOM 1681 C ALA B 134 -1.004 8.835 5.411 1.00 41.30 C ATOM 1682 O ALA B 134 -1.723 8.898 6.412 1.00 41.31 O ATOM 1683 CB ALA B 134 -2.051 7.013 4.009 1.00 10.42 C ATOM 0 H ALA B 134 -0.544 6.768 6.669 1.00 14.14 H new ATOM 0 HA ALA B 134 -0.003 7.606 3.948 1.00 40.01 H new ATOM 0 HB1 ALA B 134 -2.364 7.758 3.277 1.00 10.42 H new ATOM 0 HB2 ALA B 134 -1.857 6.067 3.503 1.00 10.42 H new ATOM 0 HB3 ALA B 134 -2.841 6.875 4.747 1.00 10.42 H new ATOM 1689 N TYR B 135 -0.379 9.890 4.889 1.00 0.10 N ATOM 1690 CA TYR B 135 -0.391 11.242 5.493 1.00 43.00 C ATOM 1691 C TYR B 135 -1.442 12.131 4.791 1.00 41.00 C ATOM 1692 O TYR B 135 -1.830 11.806 3.685 1.00 1.21 O ATOM 1693 CB TYR B 135 1.043 11.828 5.392 1.00 14.52 C ATOM 1694 CG TYR B 135 2.054 11.162 6.344 1.00 55.45 C ATOM 1695 CD1 TYR B 135 2.475 9.843 6.147 1.00 74.42 C ATOM 1696 CD2 TYR B 135 2.570 11.844 7.453 1.00 41.54 C ATOM 1697 CE1 TYR B 135 3.363 9.233 7.012 1.00 74.24 C ATOM 1698 CE2 TYR B 135 3.461 11.233 8.318 1.00 35.53 C ATOM 1699 CZ TYR B 135 3.853 9.930 8.093 1.00 14.13 C ATOM 1700 OH TYR B 135 4.741 9.319 8.954 1.00 72.13 O ATOM 0 H TYR B 135 0.159 9.840 4.024 1.00 0.10 H new ATOM 0 HA TYR B 135 -0.676 11.197 6.544 1.00 43.00 H new ATOM 0 HB2 TYR B 135 1.398 11.721 4.367 1.00 14.52 H new ATOM 0 HB3 TYR B 135 1.005 12.896 5.606 1.00 14.52 H new ATOM 0 HD1 TYR B 135 2.098 9.289 5.300 1.00 74.42 H new ATOM 0 HD2 TYR B 135 2.267 12.864 7.636 1.00 41.54 H new ATOM 0 HE1 TYR B 135 3.672 8.212 6.840 1.00 74.24 H new ATOM 0 HE2 TYR B 135 3.849 11.776 9.168 1.00 35.53 H new ATOM 0 HH TYR B 135 4.992 9.946 9.664 1.00 72.13 H new ATOM 1710 N PRO B 136 -1.932 13.269 5.404 1.00 3.23 N ATOM 1711 CA PRO B 136 -3.029 14.097 4.799 1.00 4.11 C ATOM 1712 C PRO B 136 -2.612 14.912 3.543 1.00 22.42 C ATOM 1713 O PRO B 136 -3.405 15.718 3.044 1.00 11.54 O ATOM 1714 CB PRO B 136 -3.452 15.017 5.971 1.00 71.42 C ATOM 1715 CG PRO B 136 -2.211 15.162 6.803 1.00 74.45 C ATOM 1716 CD PRO B 136 -1.500 13.825 6.722 1.00 61.31 C ATOM 0 HA PRO B 136 -3.831 13.470 4.410 1.00 4.11 H new ATOM 0 HB2 PRO B 136 -3.803 15.984 5.610 1.00 71.42 H new ATOM 0 HB3 PRO B 136 -4.266 14.577 6.547 1.00 71.42 H new ATOM 0 HG2 PRO B 136 -1.578 15.965 6.425 1.00 74.45 H new ATOM 0 HG3 PRO B 136 -2.459 15.411 7.835 1.00 74.45 H new ATOM 0 HD2 PRO B 136 -0.418 13.944 6.770 1.00 61.31 H new ATOM 0 HD3 PRO B 136 -1.785 13.170 7.545 1.00 61.31 H new ATOM 1724 N SER B 137 -1.375 14.693 3.056 1.00 53.14 N ATOM 1725 CA SER B 137 -0.868 15.260 1.793 1.00 3.44 C ATOM 1726 C SER B 137 0.249 14.364 1.244 1.00 34.52 C ATOM 1727 O SER B 137 0.912 13.635 2.005 1.00 42.14 O ATOM 1728 CB SER B 137 -0.335 16.700 2.002 1.00 41.42 C ATOM 1729 OG SER B 137 0.233 17.248 0.816 1.00 4.23 O ATOM 0 H SER B 137 -0.691 14.109 3.537 1.00 53.14 H new ATOM 0 HA SER B 137 -1.690 15.305 1.078 1.00 3.44 H new ATOM 0 HB2 SER B 137 -1.150 17.340 2.340 1.00 41.42 H new ATOM 0 HB3 SER B 137 0.416 16.695 2.792 1.00 41.42 H new ATOM 0 HG SER B 137 0.553 18.156 0.996 1.00 4.23 H new ATOM 1735 N TYR B 138 0.442 14.421 -0.086 1.00 2.35 N ATOM 1736 CA TYR B 138 1.562 13.760 -0.769 1.00 2.42 C ATOM 1737 C TYR B 138 2.903 14.373 -0.322 1.00 62.04 C ATOM 1738 O TYR B 138 3.889 13.658 -0.235 1.00 34.04 O ATOM 1739 CB TYR B 138 1.382 13.836 -2.319 1.00 41.43 C ATOM 1740 CG TYR B 138 2.650 13.552 -3.161 1.00 2.03 C ATOM 1741 CD1 TYR B 138 3.399 12.379 -2.996 1.00 51.22 C ATOM 1742 CD2 TYR B 138 3.093 14.461 -4.126 1.00 43.43 C ATOM 1743 CE1 TYR B 138 4.531 12.133 -3.751 1.00 71.21 C ATOM 1744 CE2 TYR B 138 4.223 14.214 -4.883 1.00 50.44 C ATOM 1745 CZ TYR B 138 4.935 13.052 -4.693 1.00 53.44 C ATOM 1746 OH TYR B 138 6.057 12.807 -5.451 1.00 23.24 O ATOM 0 H TYR B 138 -0.178 14.929 -0.717 1.00 2.35 H new ATOM 0 HA TYR B 138 1.571 12.706 -0.490 1.00 2.42 H new ATOM 0 HB2 TYR B 138 0.609 13.125 -2.611 1.00 41.43 H new ATOM 0 HB3 TYR B 138 1.015 14.830 -2.575 1.00 41.43 H new ATOM 0 HD1 TYR B 138 3.085 11.651 -2.263 1.00 51.22 H new ATOM 0 HD2 TYR B 138 2.541 15.376 -4.284 1.00 43.43 H new ATOM 0 HE1 TYR B 138 5.095 11.224 -3.602 1.00 71.21 H new ATOM 0 HE2 TYR B 138 4.546 14.932 -5.622 1.00 50.44 H new ATOM 0 HH TYR B 138 6.204 13.553 -6.069 1.00 23.24 H new ATOM 1756 N ASP B 139 2.926 15.694 -0.042 1.00 10.40 N ATOM 1757 CA ASP B 139 4.141 16.394 0.456 1.00 64.21 C ATOM 1758 C ASP B 139 4.601 15.801 1.804 1.00 0.33 C ATOM 1759 O ASP B 139 5.799 15.580 2.024 1.00 44.33 O ATOM 1760 CB ASP B 139 3.870 17.922 0.594 1.00 12.23 C ATOM 1761 CG ASP B 139 5.151 18.736 0.887 1.00 62.22 C ATOM 1762 OD1 ASP B 139 5.866 19.092 -0.070 1.00 63.33 O ATOM 1763 OD2 ASP B 139 5.453 19.017 2.066 1.00 13.40 O ATOM 0 H ASP B 139 2.116 16.304 -0.151 1.00 10.40 H new ATOM 0 HA ASP B 139 4.941 16.248 -0.270 1.00 64.21 H new ATOM 0 HB2 ASP B 139 3.414 18.290 -0.325 1.00 12.23 H new ATOM 0 HB3 ASP B 139 3.149 18.087 1.395 1.00 12.23 H new ATOM 1768 N GLU B 140 3.613 15.518 2.673 1.00 21.23 N ATOM 1769 CA GLU B 140 3.826 14.917 4.004 1.00 50.30 C ATOM 1770 C GLU B 140 4.307 13.456 3.879 1.00 1.32 C ATOM 1771 O GLU B 140 5.181 13.012 4.633 1.00 10.15 O ATOM 1772 CB GLU B 140 2.503 14.984 4.812 1.00 45.22 C ATOM 1773 CG GLU B 140 1.912 16.396 4.986 1.00 74.34 C ATOM 1774 CD GLU B 140 2.712 17.303 5.946 1.00 53.31 C ATOM 1775 OE1 GLU B 140 3.778 17.827 5.553 1.00 60.13 O ATOM 1776 OE2 GLU B 140 2.274 17.489 7.105 1.00 23.42 O ATOM 0 H GLU B 140 2.631 15.703 2.468 1.00 21.23 H new ATOM 0 HA GLU B 140 4.601 15.478 4.526 1.00 50.30 H new ATOM 0 HB2 GLU B 140 1.762 14.356 4.318 1.00 45.22 H new ATOM 0 HB3 GLU B 140 2.677 14.556 5.799 1.00 45.22 H new ATOM 0 HG2 GLU B 140 1.858 16.878 4.010 1.00 74.34 H new ATOM 0 HG3 GLU B 140 0.890 16.307 5.355 1.00 74.34 H new ATOM 1783 N ALA B 141 3.732 12.726 2.901 1.00 11.05 N ATOM 1784 CA ALA B 141 4.089 11.330 2.617 1.00 14.22 C ATOM 1785 C ALA B 141 5.473 11.257 1.940 1.00 4.33 C ATOM 1786 O ALA B 141 6.234 10.305 2.137 1.00 43.14 O ATOM 1787 CB ALA B 141 3.002 10.708 1.737 1.00 34.35 C ATOM 0 H ALA B 141 3.005 13.094 2.287 1.00 11.05 H new ATOM 0 HA ALA B 141 4.152 10.766 3.548 1.00 14.22 H new ATOM 0 HB1 ALA B 141 3.258 9.671 1.521 1.00 34.35 H new ATOM 0 HB2 ALA B 141 2.046 10.744 2.259 1.00 34.35 H new ATOM 0 HB3 ALA B 141 2.927 11.265 0.803 1.00 34.35 H new ATOM 1793 N HIS B 142 5.799 12.316 1.180 1.00 44.32 N ATOM 1794 CA HIS B 142 7.077 12.450 0.475 1.00 5.05 C ATOM 1795 C HIS B 142 8.207 12.598 1.492 1.00 23.43 C ATOM 1796 O HIS B 142 9.258 11.989 1.341 1.00 70.54 O ATOM 1797 CB HIS B 142 7.045 13.656 -0.501 1.00 52.42 C ATOM 1798 CG HIS B 142 8.366 13.978 -1.152 1.00 41.51 C ATOM 1799 ND1 HIS B 142 8.859 15.258 -1.249 1.00 62.50 N ATOM 1800 CD2 HIS B 142 9.293 13.178 -1.735 1.00 34.53 C ATOM 1801 CE1 HIS B 142 10.020 15.233 -1.866 1.00 22.50 C ATOM 1802 NE2 HIS B 142 10.309 13.988 -2.172 1.00 25.20 N ATOM 0 H HIS B 142 5.173 13.109 1.039 1.00 44.32 H new ATOM 0 HA HIS B 142 7.252 11.553 -0.119 1.00 5.05 H new ATOM 0 HB2 HIS B 142 6.311 13.454 -1.281 1.00 52.42 H new ATOM 0 HB3 HIS B 142 6.700 14.536 0.042 1.00 52.42 H new ATOM 0 HD2 HIS B 142 9.241 12.104 -1.836 1.00 34.53 H new ATOM 0 HE1 HIS B 142 10.635 16.094 -2.085 1.00 22.50 H new ATOM 0 HE2 HIS B 142 11.151 13.676 -2.655 1.00 25.20 H new ATOM 1811 N LYS B 143 7.964 13.399 2.539 1.00 64.42 N ATOM 1812 CA LYS B 143 8.930 13.577 3.624 1.00 25.41 C ATOM 1813 C LYS B 143 9.069 12.275 4.437 1.00 13.23 C ATOM 1814 O LYS B 143 10.177 11.912 4.826 1.00 62.14 O ATOM 1815 CB LYS B 143 8.525 14.755 4.545 1.00 43.22 C ATOM 1816 CG LYS B 143 9.535 15.044 5.682 1.00 11.11 C ATOM 1817 CD LYS B 143 10.956 15.363 5.152 1.00 72.52 C ATOM 1818 CE LYS B 143 11.030 16.716 4.420 1.00 1.51 C ATOM 1819 NZ LYS B 143 12.402 16.989 3.910 1.00 74.03 N ATOM 0 H LYS B 143 7.103 13.934 2.654 1.00 64.42 H new ATOM 0 HA LYS B 143 9.897 13.817 3.181 1.00 25.41 H new ATOM 0 HB2 LYS B 143 8.410 15.653 3.939 1.00 43.22 H new ATOM 0 HB3 LYS B 143 7.551 14.540 4.985 1.00 43.22 H new ATOM 0 HG2 LYS B 143 9.176 15.884 6.276 1.00 11.11 H new ATOM 0 HG3 LYS B 143 9.585 14.181 6.347 1.00 11.11 H new ATOM 0 HD2 LYS B 143 11.657 15.368 5.986 1.00 72.52 H new ATOM 0 HD3 LYS B 143 11.272 14.570 4.474 1.00 72.52 H new ATOM 0 HE2 LYS B 143 10.325 16.720 3.589 1.00 1.51 H new ATOM 0 HE3 LYS B 143 10.728 17.514 5.098 1.00 1.51 H new ATOM 0 HZ1 LYS B 143 12.415 17.908 3.423 1.00 74.03 H new ATOM 0 HZ2 LYS B 143 13.071 17.010 4.706 1.00 74.03 H new ATOM 0 HZ3 LYS B 143 12.680 16.240 3.244 1.00 74.03 H new ATOM 1833 N ALA B 144 7.930 11.570 4.635 1.00 62.14 N ATOM 1834 CA ALA B 144 7.863 10.317 5.417 1.00 2.12 C ATOM 1835 C ALA B 144 8.803 9.226 4.867 1.00 70.43 C ATOM 1836 O ALA B 144 9.341 8.439 5.636 1.00 54.31 O ATOM 1837 CB ALA B 144 6.431 9.795 5.447 1.00 14.03 C ATOM 0 H ALA B 144 7.029 11.858 4.254 1.00 62.14 H new ATOM 0 HA ALA B 144 8.195 10.554 6.428 1.00 2.12 H new ATOM 0 HB1 ALA B 144 6.392 8.872 6.025 1.00 14.03 H new ATOM 0 HB2 ALA B 144 5.782 10.540 5.908 1.00 14.03 H new ATOM 0 HB3 ALA B 144 6.093 9.600 4.429 1.00 14.03 H new ATOM 1843 N TRP B 145 8.977 9.217 3.531 1.00 60.24 N ATOM 1844 CA TRP B 145 9.898 8.312 2.812 1.00 73.43 C ATOM 1845 C TRP B 145 11.339 8.394 3.403 1.00 72.42 C ATOM 1846 O TRP B 145 11.891 7.384 3.852 1.00 75.14 O ATOM 1847 CB TRP B 145 9.845 8.660 1.276 1.00 11.31 C ATOM 1848 CG TRP B 145 11.159 8.550 0.522 1.00 45.31 C ATOM 1849 CD1 TRP B 145 11.758 7.420 0.047 1.00 15.33 C ATOM 1850 CD2 TRP B 145 12.030 9.638 0.163 1.00 33.02 C ATOM 1851 NE1 TRP B 145 12.944 7.733 -0.564 1.00 52.31 N ATOM 1852 CE2 TRP B 145 13.137 9.086 -0.502 1.00 71.44 C ATOM 1853 CE3 TRP B 145 11.980 11.028 0.353 1.00 34.13 C ATOM 1854 CZ2 TRP B 145 14.180 9.867 -0.983 1.00 55.40 C ATOM 1855 CZ3 TRP B 145 13.012 11.797 -0.121 1.00 55.14 C ATOM 1856 CH2 TRP B 145 14.095 11.220 -0.782 1.00 73.30 C ATOM 0 H TRP B 145 8.473 9.849 2.909 1.00 60.24 H new ATOM 0 HA TRP B 145 9.585 7.276 2.940 1.00 73.43 H new ATOM 0 HB2 TRP B 145 9.119 8.001 0.799 1.00 11.31 H new ATOM 0 HB3 TRP B 145 9.471 9.678 1.167 1.00 11.31 H new ATOM 0 HD1 TRP B 145 11.355 6.422 0.139 1.00 15.33 H new ATOM 0 HE1 TRP B 145 13.581 7.064 -0.996 1.00 52.31 H new ATOM 0 HE3 TRP B 145 11.144 11.484 0.863 1.00 34.13 H new ATOM 0 HZ2 TRP B 145 15.023 9.426 -1.494 1.00 55.40 H new ATOM 0 HZ3 TRP B 145 12.985 12.867 0.020 1.00 55.14 H new ATOM 0 HH2 TRP B 145 14.888 11.856 -1.146 1.00 73.30 H new ATOM 1867 N LYS B 146 11.913 9.616 3.415 1.00 20.42 N ATOM 1868 CA LYS B 146 13.296 9.854 3.898 1.00 71.44 C ATOM 1869 C LYS B 146 13.343 9.899 5.432 1.00 0.44 C ATOM 1870 O LYS B 146 14.344 9.518 6.030 1.00 62.43 O ATOM 1871 CB LYS B 146 13.875 11.151 3.269 1.00 43.42 C ATOM 1872 CG LYS B 146 15.191 11.678 3.898 1.00 71.11 C ATOM 1873 CD LYS B 146 15.841 12.842 3.115 1.00 73.15 C ATOM 1874 CE LYS B 146 16.338 12.435 1.722 1.00 3.45 C ATOM 1875 NZ LYS B 146 16.939 13.579 0.982 1.00 11.41 N ATOM 0 H LYS B 146 11.439 10.460 3.094 1.00 20.42 H new ATOM 0 HA LYS B 146 13.922 9.020 3.580 1.00 71.44 H new ATOM 0 HB2 LYS B 146 14.048 10.971 2.208 1.00 43.42 H new ATOM 0 HB3 LYS B 146 13.121 11.935 3.341 1.00 43.42 H new ATOM 0 HG2 LYS B 146 14.988 12.008 4.917 1.00 71.11 H new ATOM 0 HG3 LYS B 146 15.904 10.856 3.965 1.00 71.11 H new ATOM 0 HD2 LYS B 146 15.117 13.651 3.013 1.00 73.15 H new ATOM 0 HD3 LYS B 146 16.679 13.235 3.691 1.00 73.15 H new ATOM 0 HE2 LYS B 146 17.077 11.640 1.820 1.00 3.45 H new ATOM 0 HE3 LYS B 146 15.507 12.029 1.146 1.00 3.45 H new ATOM 0 HZ1 LYS B 146 17.261 13.257 0.047 1.00 11.41 H new ATOM 0 HZ2 LYS B 146 16.228 14.329 0.864 1.00 11.41 H new ATOM 0 HZ3 LYS B 146 17.749 13.952 1.517 1.00 11.41 H new ATOM 1889 N ALA B 147 12.233 10.319 6.058 1.00 43.04 N ATOM 1890 CA ALA B 147 12.100 10.360 7.525 1.00 41.32 C ATOM 1891 C ALA B 147 12.246 8.945 8.113 1.00 73.01 C ATOM 1892 O ALA B 147 12.788 8.772 9.200 1.00 1.54 O ATOM 1893 CB ALA B 147 10.753 10.984 7.914 1.00 60.23 C ATOM 0 H ALA B 147 11.401 10.640 5.563 1.00 43.04 H new ATOM 0 HA ALA B 147 12.895 10.980 7.938 1.00 41.32 H new ATOM 0 HB1 ALA B 147 10.664 11.010 9.000 1.00 60.23 H new ATOM 0 HB2 ALA B 147 10.695 11.999 7.521 1.00 60.23 H new ATOM 0 HB3 ALA B 147 9.942 10.387 7.498 1.00 60.23 H new ATOM 1899 N LYS B 148 11.774 7.950 7.343 1.00 54.12 N ATOM 1900 CA LYS B 148 11.894 6.525 7.671 1.00 63.35 C ATOM 1901 C LYS B 148 13.288 5.985 7.323 1.00 60.31 C ATOM 1902 O LYS B 148 13.894 5.293 8.135 1.00 73.54 O ATOM 1903 CB LYS B 148 10.804 5.730 6.912 1.00 31.23 C ATOM 1904 CG LYS B 148 9.382 5.890 7.484 1.00 20.23 C ATOM 1905 CD LYS B 148 9.221 5.279 8.892 1.00 42.53 C ATOM 1906 CE LYS B 148 9.517 3.774 8.903 1.00 1.53 C ATOM 1907 NZ LYS B 148 9.244 3.166 10.227 1.00 73.42 N ATOM 0 H LYS B 148 11.291 8.120 6.461 1.00 54.12 H new ATOM 0 HA LYS B 148 11.754 6.404 8.745 1.00 63.35 H new ATOM 0 HB2 LYS B 148 10.800 6.047 5.869 1.00 31.23 H new ATOM 0 HB3 LYS B 148 11.069 4.673 6.923 1.00 31.23 H new ATOM 0 HG2 LYS B 148 9.131 6.950 7.524 1.00 20.23 H new ATOM 0 HG3 LYS B 148 8.670 5.419 6.807 1.00 20.23 H new ATOM 0 HD2 LYS B 148 9.892 5.785 9.586 1.00 42.53 H new ATOM 0 HD3 LYS B 148 8.205 5.451 9.248 1.00 42.53 H new ATOM 0 HE2 LYS B 148 8.910 3.279 8.144 1.00 1.53 H new ATOM 0 HE3 LYS B 148 10.560 3.607 8.635 1.00 1.53 H new ATOM 0 HZ1 LYS B 148 9.024 2.157 10.107 1.00 73.42 H new ATOM 0 HZ2 LYS B 148 10.082 3.268 10.835 1.00 73.42 H new ATOM 0 HZ3 LYS B 148 8.435 3.646 10.669 1.00 73.42 H new ATOM 1921 N ALA B 149 13.777 6.322 6.114 1.00 44.42 N ATOM 1922 CA ALA B 149 15.071 5.835 5.591 1.00 33.15 C ATOM 1923 C ALA B 149 16.244 6.234 6.518 1.00 75.52 C ATOM 1924 O ALA B 149 17.101 5.409 6.847 1.00 73.30 O ATOM 1925 CB ALA B 149 15.278 6.354 4.157 1.00 5.02 C ATOM 0 H ALA B 149 13.285 6.941 5.470 1.00 44.42 H new ATOM 0 HA ALA B 149 15.051 4.745 5.566 1.00 33.15 H new ATOM 0 HB1 ALA B 149 16.233 5.994 3.774 1.00 5.02 H new ATOM 0 HB2 ALA B 149 14.471 5.993 3.519 1.00 5.02 H new ATOM 0 HB3 ALA B 149 15.277 7.444 4.161 1.00 5.02 H new ATOM 1931 N GLN B 150 16.238 7.510 6.951 1.00 23.15 N ATOM 1932 CA GLN B 150 17.192 8.050 7.945 1.00 21.43 C ATOM 1933 C GLN B 150 17.029 7.347 9.304 1.00 32.42 C ATOM 1934 O GLN B 150 18.015 6.883 9.892 1.00 5.10 O ATOM 1935 CB GLN B 150 16.962 9.576 8.138 1.00 2.54 C ATOM 1936 CG GLN B 150 17.285 10.453 6.912 1.00 23.32 C ATOM 1937 CD GLN B 150 16.775 11.899 7.042 1.00 60.41 C ATOM 1938 OE1 GLN B 150 17.394 12.844 6.542 1.00 63.20 O ATOM 1939 NE2 GLN B 150 15.607 12.085 7.658 1.00 52.43 N ATOM 0 H GLN B 150 15.566 8.202 6.619 1.00 23.15 H new ATOM 0 HA GLN B 150 18.199 7.871 7.569 1.00 21.43 H new ATOM 0 HB2 GLN B 150 15.920 9.737 8.415 1.00 2.54 H new ATOM 0 HB3 GLN B 150 17.570 9.915 8.976 1.00 2.54 H new ATOM 0 HG2 GLN B 150 18.364 10.469 6.760 1.00 23.32 H new ATOM 0 HG3 GLN B 150 16.845 9.999 6.024 1.00 23.32 H new ATOM 0 HE21 GLN B 150 15.112 11.291 8.064 1.00 52.43 H new ATOM 0 HE22 GLN B 150 15.208 13.022 7.723 1.00 52.43 H new ATOM 1948 N ALA B 151 15.759 7.264 9.765 1.00 31.52 N ATOM 1949 CA ALA B 151 15.416 6.775 11.119 1.00 35.23 C ATOM 1950 C ALA B 151 15.900 5.338 11.342 1.00 51.24 C ATOM 1951 O ALA B 151 16.541 5.031 12.359 1.00 21.44 O ATOM 1952 CB ALA B 151 13.900 6.864 11.358 1.00 64.20 C ATOM 0 H ALA B 151 14.947 7.533 9.210 1.00 31.52 H new ATOM 0 HA ALA B 151 15.928 7.417 11.836 1.00 35.23 H new ATOM 0 HB1 ALA B 151 13.667 6.500 12.359 1.00 64.20 H new ATOM 0 HB2 ALA B 151 13.577 7.901 11.265 1.00 64.20 H new ATOM 0 HB3 ALA B 151 13.379 6.254 10.620 1.00 64.20 H new ATOM 1958 N THR B 152 15.616 4.482 10.354 1.00 32.15 N ATOM 1959 CA THR B 152 15.820 3.042 10.463 1.00 14.12 C ATOM 1960 C THR B 152 17.283 2.656 10.153 1.00 52.32 C ATOM 1961 O THR B 152 17.652 2.417 8.998 1.00 74.11 O ATOM 1962 CB THR B 152 14.794 2.278 9.556 1.00 33.43 C ATOM 1963 OG1 THR B 152 14.931 2.674 8.176 1.00 71.24 O ATOM 1964 CG2 THR B 152 13.344 2.541 10.023 1.00 72.03 C ATOM 0 H THR B 152 15.236 4.775 9.454 1.00 32.15 H new ATOM 0 HA THR B 152 15.635 2.740 11.494 1.00 14.12 H new ATOM 0 HB THR B 152 15.010 1.213 9.643 1.00 33.43 H new ATOM 0 HG1 THR B 152 14.575 3.580 8.059 1.00 71.24 H new ATOM 0 HG21 THR B 152 12.651 2.001 9.379 1.00 72.03 H new ATOM 0 HG22 THR B 152 13.225 2.199 11.051 1.00 72.03 H new ATOM 0 HG23 THR B 152 13.132 3.609 9.969 1.00 72.03 H new ATOM 1972 N VAL B 153 18.121 2.659 11.208 1.00 35.45 N ATOM 1973 CA VAL B 153 19.549 2.278 11.127 1.00 15.31 C ATOM 1974 C VAL B 153 19.736 0.837 11.628 1.00 14.24 C ATOM 1975 O VAL B 153 20.577 0.097 11.103 1.00 51.40 O ATOM 1976 CB VAL B 153 20.466 3.275 11.942 1.00 33.31 C ATOM 1977 CG1 VAL B 153 21.978 2.976 11.753 1.00 50.44 C ATOM 1978 CG2 VAL B 153 20.141 4.742 11.571 1.00 62.44 C ATOM 0 H VAL B 153 17.827 2.927 12.147 1.00 35.45 H new ATOM 0 HA VAL B 153 19.856 2.336 10.083 1.00 15.31 H new ATOM 0 HB VAL B 153 20.245 3.125 12.999 1.00 33.31 H new ATOM 0 HG11 VAL B 153 22.565 3.688 12.333 1.00 50.44 H new ATOM 0 HG12 VAL B 153 22.194 1.964 12.095 1.00 50.44 H new ATOM 0 HG13 VAL B 153 22.238 3.066 10.698 1.00 50.44 H new ATOM 0 HG21 VAL B 153 20.783 5.413 12.143 1.00 62.44 H new ATOM 0 HG22 VAL B 153 20.314 4.895 10.506 1.00 62.44 H new ATOM 0 HG23 VAL B 153 19.097 4.953 11.803 1.00 62.44 H new ATOM 1988 N ASP B 154 18.924 0.437 12.639 1.00 60.12 N ATOM 1989 CA ASP B 154 18.885 -0.959 13.155 1.00 51.10 C ATOM 1990 C ASP B 154 18.453 -1.924 12.037 1.00 44.21 C ATOM 1991 O ASP B 154 18.916 -3.067 11.967 1.00 34.01 O ATOM 1992 CB ASP B 154 17.888 -1.105 14.339 1.00 11.31 C ATOM 1993 CG ASP B 154 18.190 -0.198 15.540 1.00 21.34 C ATOM 1994 OD1 ASP B 154 18.987 -0.596 16.423 1.00 14.11 O ATOM 1995 OD2 ASP B 154 17.625 0.918 15.611 1.00 3.40 O ATOM 0 H ASP B 154 18.281 1.067 13.118 1.00 60.12 H new ATOM 0 HA ASP B 154 19.889 -1.202 13.504 1.00 51.10 H new ATOM 0 HB2 ASP B 154 16.882 -0.888 13.980 1.00 11.31 H new ATOM 0 HB3 ASP B 154 17.890 -2.142 14.673 1.00 11.31 H new ATOM 2000 N ASN B 155 17.541 -1.429 11.182 1.00 50.13 N ATOM 2001 CA ASN B 155 17.042 -2.156 10.009 1.00 51.43 C ATOM 2002 C ASN B 155 18.157 -2.328 8.968 1.00 15.42 C ATOM 2003 O ASN B 155 18.816 -1.356 8.579 1.00 52.21 O ATOM 2004 CB ASN B 155 15.822 -1.433 9.392 1.00 50.24 C ATOM 2005 CG ASN B 155 14.508 -1.726 10.127 1.00 40.54 C ATOM 2006 OD1 ASN B 155 14.115 -1.013 11.053 1.00 50.12 O ATOM 2007 ND2 ASN B 155 13.832 -2.795 9.731 1.00 3.25 N ATOM 0 H ASN B 155 17.127 -0.503 11.290 1.00 50.13 H new ATOM 0 HA ASN B 155 16.719 -3.146 10.332 1.00 51.43 H new ATOM 0 HB2 ASN B 155 16.003 -0.358 9.400 1.00 50.24 H new ATOM 0 HB3 ASN B 155 15.721 -1.731 8.349 1.00 50.24 H new ATOM 0 HD21 ASN B 155 12.960 -3.048 10.196 1.00 3.25 H new ATOM 0 HD22 ASN B 155 14.184 -3.365 8.961 1.00 3.25 H new ATOM 2014 N ALA B 156 18.334 -3.579 8.530 1.00 14.23 N ATOM 2015 CA ALA B 156 19.441 -3.998 7.663 1.00 10.11 C ATOM 2016 C ALA B 156 19.163 -3.661 6.191 1.00 73.12 C ATOM 2017 O ALA B 156 19.921 -2.925 5.551 1.00 11.42 O ATOM 2018 CB ALA B 156 19.670 -5.508 7.848 1.00 23.40 C ATOM 0 H ALA B 156 17.702 -4.342 8.772 1.00 14.23 H new ATOM 0 HA ALA B 156 20.341 -3.453 7.946 1.00 10.11 H new ATOM 0 HB1 ALA B 156 20.491 -5.833 7.209 1.00 23.40 H new ATOM 0 HB2 ALA B 156 19.918 -5.713 8.889 1.00 23.40 H new ATOM 0 HB3 ALA B 156 18.763 -6.049 7.577 1.00 23.40 H new ATOM 2024 N HIS B 157 18.061 -4.209 5.667 1.00 34.11 N ATOM 2025 CA HIS B 157 17.711 -4.120 4.232 1.00 53.52 C ATOM 2026 C HIS B 157 16.452 -3.284 3.999 1.00 65.43 C ATOM 2027 O HIS B 157 15.942 -3.267 2.888 1.00 54.24 O ATOM 2028 CB HIS B 157 17.511 -5.547 3.646 1.00 75.44 C ATOM 2029 CG HIS B 157 18.776 -6.348 3.460 1.00 1.22 C ATOM 2030 ND1 HIS B 157 19.141 -6.898 2.254 1.00 34.24 N ATOM 2031 CD2 HIS B 157 19.746 -6.711 4.333 1.00 34.12 C ATOM 2032 CE1 HIS B 157 20.272 -7.560 2.396 1.00 61.14 C ATOM 2033 NE2 HIS B 157 20.659 -7.463 3.647 1.00 32.44 N ATOM 0 H HIS B 157 17.381 -4.729 6.221 1.00 34.11 H new ATOM 0 HA HIS B 157 18.537 -3.623 3.723 1.00 53.52 H new ATOM 0 HB2 HIS B 157 16.842 -6.102 4.304 1.00 75.44 H new ATOM 0 HB3 HIS B 157 17.010 -5.460 2.682 1.00 75.44 H new ATOM 0 HD2 HIS B 157 19.790 -6.453 5.381 1.00 34.12 H new ATOM 0 HE1 HIS B 157 20.793 -8.093 1.614 1.00 61.14 H new ATOM 0 HE2 HIS B 157 21.502 -7.880 4.042 1.00 32.44 H new ATOM 2042 N ALA B 158 15.976 -2.575 5.033 1.00 73.13 N ATOM 2043 CA ALA B 158 14.703 -1.835 4.957 1.00 20.44 C ATOM 2044 C ALA B 158 14.840 -0.545 4.138 1.00 4.14 C ATOM 2045 O ALA B 158 15.514 0.405 4.557 1.00 71.15 O ATOM 2046 CB ALA B 158 14.157 -1.532 6.347 1.00 43.41 C ATOM 0 H ALA B 158 16.451 -2.497 5.932 1.00 73.13 H new ATOM 0 HA ALA B 158 13.991 -2.479 4.442 1.00 20.44 H new ATOM 0 HB1 ALA B 158 13.218 -0.986 6.258 1.00 43.41 H new ATOM 0 HB2 ALA B 158 13.984 -2.466 6.882 1.00 43.41 H new ATOM 0 HB3 ALA B 158 14.878 -0.927 6.897 1.00 43.41 H new ATOM 2052 N ARG B 159 14.218 -0.550 2.950 1.00 71.40 N ATOM 2053 CA ARG B 159 14.195 0.585 2.014 1.00 2.10 C ATOM 2054 C ARG B 159 12.740 1.057 1.879 1.00 42.35 C ATOM 2055 O ARG B 159 11.946 0.467 1.138 1.00 13.02 O ATOM 2056 CB ARG B 159 14.817 0.187 0.630 1.00 5.10 C ATOM 2057 CG ARG B 159 16.350 0.391 0.514 1.00 72.03 C ATOM 2058 CD ARG B 159 17.151 -0.424 1.547 1.00 22.24 C ATOM 2059 NE ARG B 159 18.582 -0.079 1.540 1.00 23.24 N ATOM 2060 CZ ARG B 159 19.239 0.536 2.530 1.00 33.31 C ATOM 2061 NH1 ARG B 159 18.623 0.873 3.663 1.00 74.03 N ATOM 2062 NH2 ARG B 159 20.520 0.812 2.373 1.00 2.11 N ATOM 0 H ARG B 159 13.705 -1.361 2.605 1.00 71.40 H new ATOM 0 HA ARG B 159 14.806 1.404 2.395 1.00 2.10 H new ATOM 0 HB2 ARG B 159 14.590 -0.861 0.435 1.00 5.10 H new ATOM 0 HB3 ARG B 159 14.329 0.769 -0.151 1.00 5.10 H new ATOM 0 HG2 ARG B 159 16.672 0.111 -0.489 1.00 72.03 H new ATOM 0 HG3 ARG B 159 16.580 1.449 0.639 1.00 72.03 H new ATOM 0 HD2 ARG B 159 16.742 -0.248 2.542 1.00 22.24 H new ATOM 0 HD3 ARG B 159 17.034 -1.487 1.337 1.00 22.24 H new ATOM 0 HE ARG B 159 19.118 -0.330 0.710 1.00 23.24 H new ATOM 0 HH11 ARG B 159 17.633 0.662 3.787 1.00 74.03 H new ATOM 0 HH12 ARG B 159 19.142 1.341 4.406 1.00 74.03 H new ATOM 0 HH21 ARG B 159 20.994 0.557 1.507 1.00 2.11 H new ATOM 0 HH22 ARG B 159 21.036 1.281 3.118 1.00 2.11 H new ATOM 2076 N TYR B 160 12.393 2.080 2.672 1.00 2.42 N ATOM 2077 CA TYR B 160 11.044 2.659 2.707 1.00 14.51 C ATOM 2078 C TYR B 160 10.892 3.692 1.590 1.00 72.44 C ATOM 2079 O TYR B 160 11.722 4.597 1.462 1.00 13.40 O ATOM 2080 CB TYR B 160 10.772 3.305 4.084 1.00 61.23 C ATOM 2081 CG TYR B 160 10.868 2.313 5.248 1.00 4.23 C ATOM 2082 CD1 TYR B 160 9.773 1.538 5.628 1.00 15.30 C ATOM 2083 CD2 TYR B 160 12.062 2.134 5.944 1.00 33.11 C ATOM 2084 CE1 TYR B 160 9.863 0.632 6.661 1.00 35.25 C ATOM 2085 CE2 TYR B 160 12.155 1.225 6.971 1.00 3.15 C ATOM 2086 CZ TYR B 160 11.058 0.475 7.327 1.00 11.31 C ATOM 2087 OH TYR B 160 11.163 -0.448 8.351 1.00 51.33 O ATOM 0 H TYR B 160 13.046 2.532 3.312 1.00 2.42 H new ATOM 0 HA TYR B 160 10.314 1.865 2.552 1.00 14.51 H new ATOM 0 HB2 TYR B 160 11.485 4.114 4.245 1.00 61.23 H new ATOM 0 HB3 TYR B 160 9.778 3.752 4.078 1.00 61.23 H new ATOM 0 HD1 TYR B 160 8.836 1.650 5.102 1.00 15.30 H new ATOM 0 HD2 TYR B 160 12.928 2.719 5.672 1.00 33.11 H new ATOM 0 HE1 TYR B 160 9.001 0.048 6.947 1.00 35.25 H new ATOM 0 HE2 TYR B 160 13.089 1.100 7.498 1.00 3.15 H new ATOM 0 HH TYR B 160 12.073 -0.432 8.713 1.00 51.33 H new ATOM 2097 N PHE B 161 9.840 3.524 0.786 1.00 52.13 N ATOM 2098 CA PHE B 161 9.509 4.412 -0.339 1.00 71.50 C ATOM 2099 C PHE B 161 8.019 4.802 -0.260 1.00 54.24 C ATOM 2100 O PHE B 161 7.432 4.839 0.832 1.00 30.10 O ATOM 2101 CB PHE B 161 9.860 3.720 -1.692 1.00 30.53 C ATOM 2102 CG PHE B 161 11.351 3.525 -1.956 1.00 32.24 C ATOM 2103 CD1 PHE B 161 12.167 4.616 -2.262 1.00 5.45 C ATOM 2104 CD2 PHE B 161 11.937 2.258 -1.909 1.00 11.41 C ATOM 2105 CE1 PHE B 161 13.521 4.444 -2.508 1.00 34.14 C ATOM 2106 CE2 PHE B 161 13.286 2.090 -2.157 1.00 25.22 C ATOM 2107 CZ PHE B 161 14.078 3.181 -2.454 1.00 10.33 C ATOM 0 H PHE B 161 9.180 2.754 0.898 1.00 52.13 H new ATOM 0 HA PHE B 161 10.102 5.325 -0.280 1.00 71.50 H new ATOM 0 HB2 PHE B 161 9.372 2.746 -1.721 1.00 30.53 H new ATOM 0 HB3 PHE B 161 9.438 4.312 -2.504 1.00 30.53 H new ATOM 0 HD1 PHE B 161 11.738 5.606 -2.308 1.00 5.45 H new ATOM 0 HD2 PHE B 161 11.327 1.398 -1.676 1.00 11.41 H new ATOM 0 HE1 PHE B 161 14.140 5.298 -2.742 1.00 34.14 H new ATOM 0 HE2 PHE B 161 13.722 1.103 -2.118 1.00 25.22 H new ATOM 0 HZ PHE B 161 15.133 3.047 -2.644 1.00 10.33 H new ATOM 2117 N ILE B 162 7.421 5.123 -1.424 1.00 52.11 N ATOM 2118 CA ILE B 162 6.040 5.619 -1.532 1.00 71.03 C ATOM 2119 C ILE B 162 5.327 4.748 -2.588 1.00 54.34 C ATOM 2120 O ILE B 162 5.981 3.956 -3.285 1.00 1.52 O ATOM 2121 CB ILE B 162 6.024 7.160 -1.951 1.00 40.12 C ATOM 2122 CG1 ILE B 162 7.122 7.981 -1.192 1.00 42.40 C ATOM 2123 CG2 ILE B 162 4.639 7.800 -1.706 1.00 44.33 C ATOM 2124 CD1 ILE B 162 7.353 9.390 -1.721 1.00 20.51 C ATOM 0 H ILE B 162 7.892 5.043 -2.325 1.00 52.11 H new ATOM 0 HA ILE B 162 5.527 5.549 -0.573 1.00 71.03 H new ATOM 0 HB ILE B 162 6.243 7.192 -3.018 1.00 40.12 H new ATOM 0 HG12 ILE B 162 6.844 8.045 -0.140 1.00 42.40 H new ATOM 0 HG13 ILE B 162 8.063 7.432 -1.240 1.00 42.40 H new ATOM 0 HG21 ILE B 162 4.665 8.849 -2.002 1.00 44.33 H new ATOM 0 HG22 ILE B 162 3.886 7.275 -2.295 1.00 44.33 H new ATOM 0 HG23 ILE B 162 4.387 7.728 -0.648 1.00 44.33 H new ATOM 0 HD11 ILE B 162 8.130 9.877 -1.132 1.00 20.51 H new ATOM 0 HD12 ILE B 162 7.666 9.340 -2.764 1.00 20.51 H new ATOM 0 HD13 ILE B 162 6.429 9.963 -1.647 1.00 20.51 H new ATOM 2136 N ILE B 163 4.003 4.876 -2.705 1.00 72.35 N ATOM 2137 CA ILE B 163 3.220 4.149 -3.707 1.00 54.01 C ATOM 2138 C ILE B 163 2.063 5.037 -4.189 1.00 21.43 C ATOM 2139 O ILE B 163 1.566 5.908 -3.468 1.00 53.32 O ATOM 2140 CB ILE B 163 2.716 2.729 -3.164 1.00 21.13 C ATOM 2141 CG1 ILE B 163 3.138 1.591 -4.140 1.00 65.12 C ATOM 2142 CG2 ILE B 163 1.190 2.676 -2.886 1.00 24.12 C ATOM 2143 CD1 ILE B 163 2.744 0.189 -3.702 1.00 62.14 C ATOM 0 H ILE B 163 3.444 5.486 -2.108 1.00 72.35 H new ATOM 0 HA ILE B 163 3.861 3.923 -4.559 1.00 54.01 H new ATOM 0 HB ILE B 163 3.203 2.580 -2.200 1.00 21.13 H new ATOM 0 HG12 ILE B 163 2.696 1.788 -5.117 1.00 65.12 H new ATOM 0 HG13 ILE B 163 4.220 1.625 -4.267 1.00 65.12 H new ATOM 0 HG21 ILE B 163 0.921 1.685 -2.521 1.00 24.12 H new ATOM 0 HG22 ILE B 163 0.931 3.422 -2.135 1.00 24.12 H new ATOM 0 HG23 ILE B 163 0.645 2.884 -3.807 1.00 24.12 H new ATOM 0 HD11 ILE B 163 3.081 -0.533 -4.446 1.00 62.14 H new ATOM 0 HD12 ILE B 163 3.208 -0.036 -2.742 1.00 62.14 H new ATOM 0 HD13 ILE B 163 1.660 0.130 -3.604 1.00 62.14 H new ATOM 2155 N HIS B 164 1.661 4.798 -5.430 1.00 34.33 N ATOM 2156 CA HIS B 164 0.632 5.570 -6.134 1.00 32.14 C ATOM 2157 C HIS B 164 -0.758 4.969 -5.851 1.00 31.05 C ATOM 2158 O HIS B 164 -1.092 3.891 -6.350 1.00 12.42 O ATOM 2159 CB HIS B 164 0.966 5.619 -7.663 1.00 1.01 C ATOM 2160 CG HIS B 164 1.610 4.357 -8.201 1.00 10.32 C ATOM 2161 ND1 HIS B 164 0.949 3.153 -8.285 1.00 44.52 N ATOM 2162 CD2 HIS B 164 2.889 4.098 -8.587 1.00 31.33 C ATOM 2163 CE1 HIS B 164 1.784 2.219 -8.692 1.00 11.02 C ATOM 2164 NE2 HIS B 164 2.965 2.766 -8.879 1.00 4.53 N ATOM 0 H HIS B 164 2.049 4.042 -5.995 1.00 34.33 H new ATOM 0 HA HIS B 164 0.617 6.598 -5.771 1.00 32.14 H new ATOM 0 HB2 HIS B 164 0.047 5.809 -8.218 1.00 1.01 H new ATOM 0 HB3 HIS B 164 1.632 6.461 -7.851 1.00 1.01 H new ATOM 0 HD1 HIS B 164 -0.036 3.006 -8.066 1.00 44.52 H new ATOM 0 HD2 HIS B 164 3.695 4.814 -8.651 1.00 31.33 H new ATOM 0 HE1 HIS B 164 1.540 1.178 -8.846 1.00 11.02 H new ATOM 2173 N ALA B 165 -1.530 5.666 -4.998 1.00 71.23 N ATOM 2174 CA ALA B 165 -2.895 5.258 -4.599 1.00 1.34 C ATOM 2175 C ALA B 165 -3.960 6.120 -5.307 1.00 62.42 C ATOM 2176 O ALA B 165 -5.125 6.141 -4.886 1.00 41.20 O ATOM 2177 CB ALA B 165 -3.023 5.346 -3.064 1.00 60.24 C ATOM 0 H ALA B 165 -1.224 6.536 -4.561 1.00 71.23 H new ATOM 0 HA ALA B 165 -3.067 4.227 -4.907 1.00 1.34 H new ATOM 0 HB1 ALA B 165 -4.027 5.046 -2.765 1.00 60.24 H new ATOM 0 HB2 ALA B 165 -2.293 4.683 -2.599 1.00 60.24 H new ATOM 0 HB3 ALA B 165 -2.839 6.371 -2.742 1.00 60.24 H new ATOM 2183 N HIS B 166 -3.541 6.802 -6.406 1.00 24.23 N ATOM 2184 CA HIS B 166 -4.411 7.683 -7.230 1.00 54.25 C ATOM 2185 C HIS B 166 -5.597 6.899 -7.803 1.00 11.31 C ATOM 2186 O HIS B 166 -6.742 7.367 -7.780 1.00 45.33 O ATOM 2187 CB HIS B 166 -3.581 8.342 -8.353 1.00 45.22 C ATOM 2188 CG HIS B 166 -4.335 9.291 -9.251 1.00 22.22 C ATOM 2189 ND1 HIS B 166 -4.474 10.630 -8.975 1.00 14.32 N ATOM 2190 CD2 HIS B 166 -4.946 9.097 -10.450 1.00 30.45 C ATOM 2191 CE1 HIS B 166 -5.130 11.214 -9.956 1.00 64.25 C ATOM 2192 NE2 HIS B 166 -5.426 10.311 -10.857 1.00 3.11 N ATOM 0 H HIS B 166 -2.581 6.755 -6.748 1.00 24.23 H new ATOM 0 HA HIS B 166 -4.816 8.470 -6.594 1.00 54.25 H new ATOM 0 HB2 HIS B 166 -2.752 8.883 -7.897 1.00 45.22 H new ATOM 0 HB3 HIS B 166 -3.147 7.555 -8.969 1.00 45.22 H new ATOM 0 HD2 HIS B 166 -5.035 8.161 -10.981 1.00 30.45 H new ATOM 0 HE1 HIS B 166 -5.382 12.263 -10.009 1.00 64.25 H new ATOM 0 HE2 HIS B 166 -5.934 10.485 -11.724 1.00 3.11 H new ATOM 2201 N LYS B 167 -5.297 5.710 -8.329 1.00 41.45 N ATOM 2202 CA LYS B 167 -6.309 4.724 -8.710 1.00 54.12 C ATOM 2203 C LYS B 167 -5.919 3.380 -8.089 1.00 32.55 C ATOM 2204 O LYS B 167 -4.740 3.002 -8.086 1.00 43.24 O ATOM 2205 CB LYS B 167 -6.441 4.579 -10.253 1.00 74.30 C ATOM 2206 CG LYS B 167 -7.557 3.583 -10.672 1.00 0.34 C ATOM 2207 CD LYS B 167 -7.557 3.228 -12.173 1.00 54.13 C ATOM 2208 CE LYS B 167 -8.577 2.125 -12.508 1.00 60.53 C ATOM 2209 NZ LYS B 167 -8.490 1.682 -13.925 1.00 52.13 N ATOM 0 H LYS B 167 -4.340 5.403 -8.503 1.00 41.45 H new ATOM 0 HA LYS B 167 -7.279 5.059 -8.343 1.00 54.12 H new ATOM 0 HB2 LYS B 167 -6.651 5.556 -10.688 1.00 74.30 H new ATOM 0 HB3 LYS B 167 -5.489 4.244 -10.664 1.00 74.30 H new ATOM 0 HG2 LYS B 167 -7.446 2.666 -10.093 1.00 0.34 H new ATOM 0 HG3 LYS B 167 -8.526 4.009 -10.411 1.00 0.34 H new ATOM 0 HD2 LYS B 167 -7.784 4.120 -12.756 1.00 54.13 H new ATOM 0 HD3 LYS B 167 -6.560 2.900 -12.467 1.00 54.13 H new ATOM 0 HE2 LYS B 167 -8.412 1.270 -11.852 1.00 60.53 H new ATOM 0 HE3 LYS B 167 -9.583 2.492 -12.306 1.00 60.53 H new ATOM 0 HZ1 LYS B 167 -9.196 0.939 -14.100 1.00 52.13 H new ATOM 0 HZ2 LYS B 167 -8.674 2.490 -14.553 1.00 52.13 H new ATOM 0 HZ3 LYS B 167 -7.539 1.307 -14.114 1.00 52.13 H new ATOM 2223 N LEU B 168 -6.914 2.702 -7.520 1.00 30.51 N ATOM 2224 CA LEU B 168 -6.785 1.347 -6.992 1.00 70.44 C ATOM 2225 C LEU B 168 -7.082 0.322 -8.103 1.00 52.51 C ATOM 2226 O LEU B 168 -7.912 0.572 -8.987 1.00 10.43 O ATOM 2227 CB LEU B 168 -7.776 1.170 -5.815 1.00 41.20 C ATOM 2228 CG LEU B 168 -7.414 1.862 -4.458 1.00 2.45 C ATOM 2229 CD1 LEU B 168 -6.209 1.190 -3.788 1.00 42.53 C ATOM 2230 CD2 LEU B 168 -7.192 3.379 -4.597 1.00 60.45 C ATOM 0 H LEU B 168 -7.852 3.088 -7.411 1.00 30.51 H new ATOM 0 HA LEU B 168 -5.768 1.183 -6.635 1.00 70.44 H new ATOM 0 HB2 LEU B 168 -8.749 1.544 -6.135 1.00 41.20 H new ATOM 0 HB3 LEU B 168 -7.890 0.102 -5.629 1.00 41.20 H new ATOM 0 HG LEU B 168 -8.282 1.731 -3.812 1.00 2.45 H new ATOM 0 HD11 LEU B 168 -5.986 1.696 -2.849 1.00 42.53 H new ATOM 0 HD12 LEU B 168 -6.440 0.143 -3.590 1.00 42.53 H new ATOM 0 HD13 LEU B 168 -5.344 1.252 -4.448 1.00 42.53 H new ATOM 0 HD21 LEU B 168 -6.944 3.801 -3.623 1.00 60.45 H new ATOM 0 HD22 LEU B 168 -6.373 3.565 -5.292 1.00 60.45 H new ATOM 0 HD23 LEU B 168 -8.101 3.847 -4.975 1.00 60.45 H new ATOM 2242 N LEU B 169 -6.397 -0.825 -8.037 1.00 63.44 N ATOM 2243 CA LEU B 169 -6.600 -1.935 -8.967 1.00 11.34 C ATOM 2244 C LEU B 169 -7.842 -2.741 -8.576 1.00 62.13 C ATOM 2245 O LEU B 169 -7.783 -3.666 -7.753 1.00 34.23 O ATOM 2246 CB LEU B 169 -5.347 -2.837 -9.025 1.00 20.32 C ATOM 2247 CG LEU B 169 -4.036 -2.133 -9.467 1.00 1.11 C ATOM 2248 CD1 LEU B 169 -2.877 -3.136 -9.501 1.00 42.04 C ATOM 2249 CD2 LEU B 169 -4.205 -1.411 -10.824 1.00 21.42 C ATOM 0 H LEU B 169 -5.683 -1.008 -7.332 1.00 63.44 H new ATOM 0 HA LEU B 169 -6.762 -1.525 -9.964 1.00 11.34 H new ATOM 0 HB2 LEU B 169 -5.189 -3.274 -8.039 1.00 20.32 H new ATOM 0 HB3 LEU B 169 -5.545 -3.661 -9.711 1.00 20.32 H new ATOM 0 HG LEU B 169 -3.799 -1.365 -8.730 1.00 1.11 H new ATOM 0 HD11 LEU B 169 -1.965 -2.627 -9.813 1.00 42.04 H new ATOM 0 HD12 LEU B 169 -2.734 -3.561 -8.507 1.00 42.04 H new ATOM 0 HD13 LEU B 169 -3.107 -3.934 -10.207 1.00 42.04 H new ATOM 0 HD21 LEU B 169 -3.266 -0.930 -11.100 1.00 21.42 H new ATOM 0 HD22 LEU B 169 -4.480 -2.136 -11.590 1.00 21.42 H new ATOM 0 HD23 LEU B 169 -4.988 -0.657 -10.740 1.00 21.42 H new ATOM 2261 N ASP B 170 -8.973 -2.304 -9.115 1.00 41.44 N ATOM 2262 CA ASP B 170 -10.223 -3.051 -9.079 1.00 51.15 C ATOM 2263 C ASP B 170 -10.327 -3.898 -10.375 1.00 4.20 C ATOM 2264 O ASP B 170 -10.256 -3.353 -11.480 1.00 63.40 O ATOM 2265 CB ASP B 170 -11.433 -2.080 -8.928 1.00 44.34 C ATOM 2266 CG ASP B 170 -11.644 -1.136 -10.126 1.00 54.41 C ATOM 2267 OD1 ASP B 170 -10.790 -0.240 -10.364 1.00 53.44 O ATOM 2268 OD2 ASP B 170 -12.644 -1.306 -10.860 1.00 23.41 O ATOM 0 H ASP B 170 -9.048 -1.408 -9.596 1.00 41.44 H new ATOM 0 HA ASP B 170 -10.240 -3.718 -8.217 1.00 51.15 H new ATOM 0 HB2 ASP B 170 -12.339 -2.668 -8.780 1.00 44.34 H new ATOM 0 HB3 ASP B 170 -11.292 -1.480 -8.029 1.00 44.34 H new ATOM 2273 N PRO B 171 -10.416 -5.258 -10.265 1.00 3.31 N ATOM 2274 CA PRO B 171 -10.738 -6.137 -11.421 1.00 2.50 C ATOM 2275 C PRO B 171 -12.252 -6.150 -11.770 1.00 70.41 C ATOM 2276 O PRO B 171 -12.689 -6.901 -12.656 1.00 24.43 O ATOM 2277 CB PRO B 171 -10.249 -7.523 -10.939 1.00 75.44 C ATOM 2278 CG PRO B 171 -10.390 -7.481 -9.459 1.00 42.13 C ATOM 2279 CD PRO B 171 -10.129 -6.051 -9.037 1.00 25.50 C ATOM 0 HA PRO B 171 -10.266 -5.802 -12.345 1.00 2.50 H new ATOM 0 HB2 PRO B 171 -10.847 -8.326 -11.371 1.00 75.44 H new ATOM 0 HB3 PRO B 171 -9.215 -7.702 -11.233 1.00 75.44 H new ATOM 0 HG2 PRO B 171 -11.388 -7.798 -9.156 1.00 42.13 H new ATOM 0 HG3 PRO B 171 -9.682 -8.160 -8.983 1.00 42.13 H new ATOM 0 HD2 PRO B 171 -10.774 -5.754 -8.210 1.00 25.50 H new ATOM 0 HD3 PRO B 171 -9.100 -5.914 -8.704 1.00 25.50 H new