USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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 SER OG : rot -33:sc= 0.353 USER MOD Single : A 7 GLN : amide:sc= -1.18! C(o=-1.2!,f=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.111 USER MOD Single : B 34 TYR OH : rot -50:sc= 0.817 USER MOD Single : B 37 LYS NZ :NH3+ 163:sc= 1.09 (180deg=0.561) USER MOD Single : B 38 MET CE :methyl -141:sc= -0.0012 (180deg=-0.414) USER MOD Single : B 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0806) USER MOD Single : B 42 LYS NZ :NH3+ -167:sc= -0.0417 (180deg=-0.22) USER MOD Single : B 46 TYR OH : rot -130:sc= -0.204 USER MOD Single : B 47 LYS NZ :NH3+ -166:sc= 2.22 (180deg=1.84) USER MOD Single : B 54 ASN :FLIP amide:sc= -0.182 F(o=-3.3!,f=-0.18) USER MOD Single : B 55 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.409) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 180:sc= -0.334 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.832 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.605 F(o=-3.9!,f=-0.61) USER MOD Single : B 73 ASN :FLIP amide:sc= -2.82 F(o=-4.4!,f=-2.8) USER MOD Single : B 76 TYR OH : rot -97:sc= 0.0716 USER MOD Single : B 78 ASN : amide:sc= -0.092 K(o=-0.092,f=-1.8!) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.01 F(o=-2.3!,f=-1) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HD1:sc= -0.0289 K(o=-0.029,f=-0.85) USER MOD Single : B 103 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00798) USER MOD Single : B 106 THR OG1 : rot 50:sc= 0.583 USER MOD Single : B 108 TYR OH : rot 30:sc= 0 USER MOD Single : B 110 TYR OH : rot -176:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 7.753 14.193 -6.804 1.00 0.00 N ATOM 60 CA SER A 5 7.036 12.940 -6.671 1.00 0.00 C ATOM 61 C SER A 5 7.231 12.049 -7.894 1.00 0.00 C ATOM 62 O SER A 5 7.339 12.530 -9.023 1.00 0.00 O ATOM 63 CB SER A 5 5.549 13.222 -6.441 1.00 0.00 C ATOM 64 OG SER A 5 5.089 14.258 -7.297 1.00 0.00 O ATOM 0 HA SER A 5 7.439 12.403 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.971 12.315 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.385 13.505 -5.401 1.00 0.00 H new ATOM 0 HG SER A 5 5.809 14.907 -7.441 1.00 0.00 H new ATOM 70 N VAL A 6 7.294 10.749 -7.648 1.00 0.00 N ATOM 71 CA VAL A 6 7.413 9.757 -8.707 1.00 0.00 C ATOM 72 C VAL A 6 6.344 8.693 -8.533 1.00 0.00 C ATOM 73 O VAL A 6 5.998 8.332 -7.408 1.00 0.00 O ATOM 74 CB VAL A 6 8.801 9.080 -8.712 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.881 10.060 -9.131 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.118 8.485 -7.348 1.00 0.00 C ATOM 0 H VAL A 6 7.264 10.352 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 6 7.285 10.276 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 6 8.776 8.270 -9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.849 9.559 -9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.668 10.429 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.903 10.897 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.100 8.014 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.116 9.275 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.365 7.739 -7.092 1.00 0.00 H new ATOM 86 N GLN A 7 5.818 8.192 -9.632 1.00 0.00 N ATOM 87 CA GLN A 7 4.767 7.193 -9.567 1.00 0.00 C ATOM 88 C GLN A 7 5.373 5.812 -9.413 1.00 0.00 C ATOM 89 O GLN A 7 6.378 5.486 -10.051 1.00 0.00 O ATOM 90 CB GLN A 7 3.857 7.245 -10.802 1.00 0.00 C ATOM 91 CG GLN A 7 4.479 6.703 -12.086 1.00 0.00 C ATOM 92 CD GLN A 7 5.615 7.558 -12.610 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.399 8.494 -13.377 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.834 7.230 -12.212 1.00 0.00 N ATOM 0 H GLN A 7 6.098 8.457 -10.576 1.00 0.00 H new ATOM 0 HA GLN A 7 4.149 7.413 -8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.949 6.680 -10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.557 8.279 -10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.847 5.693 -11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.707 6.628 -12.852 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.968 6.445 -11.574 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.639 7.762 -12.543 1.00 0.00 H new ATOM 103 N ILE A 8 4.787 5.010 -8.549 1.00 0.00 N ATOM 104 CA ILE A 8 5.281 3.667 -8.329 1.00 0.00 C ATOM 105 C ILE A 8 4.318 2.658 -8.936 1.00 0.00 C ATOM 106 O ILE A 8 3.141 2.625 -8.579 1.00 0.00 O ATOM 107 CB ILE A 8 5.462 3.349 -6.832 1.00 0.00 C ATOM 108 CG1 ILE A 8 6.058 4.546 -6.080 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.353 2.125 -6.668 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.399 5.002 -6.608 1.00 0.00 C ATOM 0 H ILE A 8 3.972 5.263 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 8 6.258 3.601 -8.808 1.00 0.00 H new ATOM 0 HB ILE A 8 4.482 3.140 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.357 5.379 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.164 4.284 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.477 1.905 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.893 1.271 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.328 2.322 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.751 5.851 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.117 4.186 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.297 5.298 -7.652 1.00 0.00 H new ATOM 122 N PRO A 9 4.796 1.847 -9.884 1.00 0.00 N ATOM 123 CA PRO A 9 3.973 0.821 -10.519 1.00 0.00 C ATOM 124 C PRO A 9 3.603 -0.298 -9.554 1.00 0.00 C ATOM 125 O PRO A 9 4.462 -0.884 -8.892 1.00 0.00 O ATOM 126 CB PRO A 9 4.855 0.289 -11.646 1.00 0.00 C ATOM 127 CG PRO A 9 6.250 0.603 -11.225 1.00 0.00 C ATOM 128 CD PRO A 9 6.168 1.871 -10.421 1.00 0.00 C ATOM 0 HA PRO A 9 3.022 1.224 -10.868 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.716 -0.783 -11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.612 0.766 -12.596 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.670 -0.209 -10.631 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.899 0.732 -12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.911 1.890 -9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.342 2.751 -11.040 1.00 0.00 H new ATOM 136 N VAL A 10 2.316 -0.583 -9.473 1.00 0.00 N ATOM 137 CA VAL A 10 1.818 -1.634 -8.606 1.00 0.00 C ATOM 138 C VAL A 10 1.487 -2.879 -9.418 1.00 0.00 C ATOM 139 O VAL A 10 0.765 -2.811 -10.414 1.00 0.00 O ATOM 140 CB VAL A 10 0.578 -1.170 -7.800 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.424 -0.462 -8.697 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.084 -2.343 -7.093 1.00 0.00 C ATOM 0 H VAL A 10 1.592 -0.097 -10.002 1.00 0.00 H new ATOM 0 HA VAL A 10 2.606 -1.875 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 10 0.922 -0.463 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.284 -0.148 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.046 0.412 -9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.754 -1.142 -9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.951 -1.989 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.403 -3.079 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.627 -2.802 -6.406 1.00 0.00 H new ATOM 152 N VAL A 11 2.039 -4.007 -9.006 1.00 0.00 N ATOM 153 CA VAL A 11 1.797 -5.264 -9.691 1.00 0.00 C ATOM 154 C VAL A 11 0.661 -6.017 -9.014 1.00 0.00 C ATOM 155 O VAL A 11 0.692 -6.239 -7.805 1.00 0.00 O ATOM 156 CB VAL A 11 3.057 -6.155 -9.706 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.801 -7.433 -10.490 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.247 -5.400 -10.279 1.00 0.00 C ATOM 0 H VAL A 11 2.659 -4.078 -8.199 1.00 0.00 H new ATOM 0 HA VAL A 11 1.528 -5.030 -10.721 1.00 0.00 H new ATOM 0 HB VAL A 11 3.293 -6.427 -8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.701 -8.047 -10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.984 -7.986 -10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.534 -7.183 -11.517 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.123 -6.048 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.024 -5.091 -11.300 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.447 -4.519 -9.669 1.00 0.00 H new ATOM 168 N GLU A 12 -0.347 -6.386 -9.785 1.00 0.00 N ATOM 169 CA GLU A 12 -1.466 -7.139 -9.249 1.00 0.00 C ATOM 170 C GLU A 12 -1.201 -8.633 -9.368 1.00 0.00 C ATOM 171 O GLU A 12 -1.233 -9.201 -10.458 1.00 0.00 O ATOM 172 CB GLU A 12 -2.768 -6.761 -9.957 1.00 0.00 C ATOM 173 CG GLU A 12 -3.178 -5.320 -9.713 1.00 0.00 C ATOM 174 CD GLU A 12 -4.521 -4.978 -10.322 1.00 0.00 C ATOM 175 OE1 GLU A 12 -5.551 -5.183 -9.646 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.553 -4.490 -11.471 1.00 0.00 O ATOM 0 H GLU A 12 -0.413 -6.177 -10.781 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.575 -6.889 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.653 -6.924 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.565 -7.422 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.214 -5.135 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.418 -4.657 -10.126 1.00 0.00 H new ATOM 183 N VAL A 13 -0.922 -9.251 -8.235 1.00 0.00 N ATOM 184 CA VAL A 13 -0.627 -10.677 -8.175 1.00 0.00 C ATOM 185 C VAL A 13 -1.529 -11.362 -7.158 1.00 0.00 C ATOM 186 O VAL A 13 -2.339 -10.711 -6.500 1.00 0.00 O ATOM 187 CB VAL A 13 0.848 -10.936 -7.795 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.773 -10.585 -8.947 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.227 -10.149 -6.548 1.00 0.00 C ATOM 0 H VAL A 13 -0.893 -8.782 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.809 -11.088 -9.168 1.00 0.00 H new ATOM 0 HB VAL A 13 0.960 -11.999 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.806 -10.776 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.522 -11.196 -9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.656 -9.531 -9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.269 -10.345 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.093 -9.084 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.590 -10.454 -5.718 1.00 0.00 H new ATOM 199 N ASP A 14 -1.399 -12.674 -7.044 1.00 0.00 N ATOM 200 CA ASP A 14 -2.174 -13.439 -6.077 1.00 0.00 C ATOM 201 C ASP A 14 -1.340 -13.708 -4.839 1.00 0.00 C ATOM 202 O ASP A 14 -1.867 -14.056 -3.783 1.00 0.00 O ATOM 203 CB ASP A 14 -2.651 -14.762 -6.678 1.00 0.00 C ATOM 204 CG ASP A 14 -3.717 -14.572 -7.734 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.366 -14.428 -8.924 1.00 0.00 O ATOM 206 OD2 ASP A 14 -4.913 -14.574 -7.382 1.00 0.00 O ATOM 0 H ASP A 14 -0.762 -13.234 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.050 -12.851 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.801 -15.285 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.042 -15.398 -5.883 1.00 0.00 H new ATOM 211 N GLU A 15 -0.033 -13.540 -4.986 1.00 0.00 N ATOM 212 CA GLU A 15 0.905 -13.726 -3.892 1.00 0.00 C ATOM 213 C GLU A 15 2.283 -13.236 -4.313 1.00 0.00 C ATOM 214 O GLU A 15 2.562 -13.105 -5.506 1.00 0.00 O ATOM 215 CB GLU A 15 0.947 -15.197 -3.471 1.00 0.00 C ATOM 216 CG GLU A 15 1.383 -16.144 -4.571 1.00 0.00 C ATOM 217 CD GLU A 15 1.126 -17.591 -4.212 1.00 0.00 C ATOM 218 OE1 GLU A 15 1.962 -18.197 -3.510 1.00 0.00 O ATOM 219 OE2 GLU A 15 0.079 -18.134 -4.629 1.00 0.00 O ATOM 0 H GLU A 15 0.405 -13.271 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 15 0.577 -13.143 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.627 -15.302 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.043 -15.493 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.852 -15.899 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.446 -16.004 -4.770 1.00 0.00 H new ATOM 226 N LEU A 16 3.124 -12.938 -3.338 1.00 0.00 N ATOM 227 CA LEU A 16 4.453 -12.413 -3.608 1.00 0.00 C ATOM 228 C LEU A 16 5.389 -13.521 -4.065 1.00 0.00 C ATOM 229 O LEU A 16 5.218 -14.687 -3.699 1.00 0.00 O ATOM 230 CB LEU A 16 5.037 -11.743 -2.358 1.00 0.00 C ATOM 231 CG LEU A 16 4.295 -10.508 -1.840 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.892 -9.597 -2.981 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.086 -10.900 -1.013 1.00 0.00 C ATOM 0 H LEU A 16 2.909 -13.051 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 16 4.360 -11.672 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.071 -12.482 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.067 -11.458 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 16 4.980 -9.959 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.367 -8.728 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.783 -9.269 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.236 -10.137 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.580 -10.002 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.400 -11.485 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.407 -11.496 -0.158 1.00 0.00 H new ATOM 245 N PRO A 17 6.385 -13.173 -4.890 1.00 0.00 N ATOM 246 CA PRO A 17 7.419 -14.114 -5.302 1.00 0.00 C ATOM 247 C PRO A 17 8.367 -14.446 -4.154 1.00 0.00 C ATOM 248 O PRO A 17 8.292 -13.845 -3.072 1.00 0.00 O ATOM 249 CB PRO A 17 8.159 -13.378 -6.419 1.00 0.00 C ATOM 250 CG PRO A 17 7.923 -11.933 -6.152 1.00 0.00 C ATOM 251 CD PRO A 17 6.574 -11.840 -5.495 1.00 0.00 C ATOM 0 HA PRO A 17 7.003 -15.069 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.223 -13.612 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.779 -13.665 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.700 -11.525 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.945 -11.358 -7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.549 -11.052 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.791 -11.614 -6.219 1.00 0.00 H new ATOM 259 N GLU A 18 9.250 -15.402 -4.386 1.00 0.00 N ATOM 260 CA GLU A 18 10.182 -15.840 -3.361 1.00 0.00 C ATOM 261 C GLU A 18 11.093 -14.699 -2.928 1.00 0.00 C ATOM 262 O GLU A 18 11.537 -13.892 -3.747 1.00 0.00 O ATOM 263 CB GLU A 18 11.002 -17.026 -3.864 1.00 0.00 C ATOM 264 CG GLU A 18 10.149 -18.236 -4.199 1.00 0.00 C ATOM 265 CD GLU A 18 10.974 -19.445 -4.578 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.547 -20.083 -3.669 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.048 -19.769 -5.781 1.00 0.00 O ATOM 0 H GLU A 18 9.341 -15.891 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 18 9.609 -16.158 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.560 -16.725 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.734 -17.303 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.523 -18.483 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.479 -17.986 -5.021 1.00 0.00 H new ATOM 274 N GLY A 19 11.341 -14.625 -1.630 1.00 0.00 N ATOM 275 CA GLY A 19 12.148 -13.551 -1.091 1.00 0.00 C ATOM 276 C GLY A 19 11.319 -12.548 -0.316 1.00 0.00 C ATOM 277 O GLY A 19 11.858 -11.729 0.429 1.00 0.00 O ATOM 0 H GLY A 19 10.997 -15.291 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.915 -13.967 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.664 -13.042 -1.905 1.00 0.00 H new ATOM 281 N TYR A 20 10.005 -12.605 -0.494 1.00 0.00 N ATOM 282 CA TYR A 20 9.100 -11.713 0.220 1.00 0.00 C ATOM 283 C TYR A 20 8.550 -12.370 1.480 1.00 0.00 C ATOM 284 O TYR A 20 8.673 -13.583 1.667 1.00 0.00 O ATOM 285 CB TYR A 20 7.951 -11.274 -0.683 1.00 0.00 C ATOM 286 CG TYR A 20 8.335 -10.203 -1.674 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.311 -8.867 -1.306 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.716 -10.521 -2.970 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.660 -7.876 -2.197 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.065 -9.532 -3.869 1.00 0.00 C ATOM 291 CZ TYR A 20 9.036 -8.213 -3.478 1.00 0.00 C ATOM 292 OH TYR A 20 9.389 -7.228 -4.367 1.00 0.00 O ATOM 0 H TYR A 20 9.543 -13.259 -1.126 1.00 0.00 H new ATOM 0 HA TYR A 20 9.673 -10.835 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.575 -12.141 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.133 -10.907 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.013 -8.598 -0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.740 -11.555 -3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.639 -6.840 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.359 -9.793 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 20 9.629 -7.634 -5.226 1.00 0.00 H new ATOM 302 N ASP A 21 7.941 -11.559 2.339 1.00 0.00 N ATOM 303 CA ASP A 21 7.412 -12.042 3.609 1.00 0.00 C ATOM 304 C ASP A 21 5.925 -11.723 3.723 1.00 0.00 C ATOM 305 O ASP A 21 5.539 -10.608 4.093 1.00 0.00 O ATOM 306 CB ASP A 21 8.174 -11.413 4.782 1.00 0.00 C ATOM 307 CG ASP A 21 7.818 -12.043 6.118 1.00 0.00 C ATOM 308 OD1 ASP A 21 6.822 -11.618 6.740 1.00 0.00 O ATOM 309 OD2 ASP A 21 8.538 -12.969 6.549 1.00 0.00 O ATOM 0 H ASP A 21 7.801 -10.562 2.178 1.00 0.00 H new ATOM 0 HA ASP A 21 7.543 -13.123 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.246 -11.516 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.958 -10.345 4.819 1.00 0.00 H new ATOM 314 N ARG A 22 5.094 -12.697 3.379 1.00 0.00 N ATOM 315 CA ARG A 22 3.652 -12.540 3.481 1.00 0.00 C ATOM 316 C ARG A 22 3.140 -13.214 4.746 1.00 0.00 C ATOM 317 O ARG A 22 3.664 -14.247 5.165 1.00 0.00 O ATOM 318 CB ARG A 22 2.949 -13.124 2.248 1.00 0.00 C ATOM 319 CG ARG A 22 1.430 -13.088 2.344 1.00 0.00 C ATOM 320 CD ARG A 22 0.757 -13.355 1.008 1.00 0.00 C ATOM 321 NE ARG A 22 1.106 -14.662 0.457 1.00 0.00 N ATOM 322 CZ ARG A 22 0.239 -15.667 0.296 1.00 0.00 C ATOM 323 NH1 ARG A 22 -1.029 -15.527 0.669 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.643 -16.814 -0.232 1.00 0.00 N ATOM 0 H ARG A 22 5.396 -13.605 3.026 1.00 0.00 H new ATOM 0 HA ARG A 22 3.426 -11.475 3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.263 -12.570 1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.272 -14.156 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.097 -13.830 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.116 -12.113 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.324 -13.293 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.042 -12.578 0.299 1.00 0.00 H new ATOM 0 HE ARG A 22 2.074 -14.818 0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.346 -14.649 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.686 -16.297 0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.616 -16.930 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.019 -17.580 -0.354 1.00 0.00 H new ATOM 491 N GLU B 33 -13.139 0.389 2.704 1.00 0.00 N ATOM 492 CA GLU B 33 -12.551 0.594 4.009 1.00 0.00 C ATOM 493 C GLU B 33 -11.279 -0.225 4.130 1.00 0.00 C ATOM 494 O GLU B 33 -11.313 -1.434 4.369 1.00 0.00 O ATOM 495 CB GLU B 33 -13.546 0.209 5.109 1.00 0.00 C ATOM 496 CG GLU B 33 -12.995 0.394 6.512 1.00 0.00 C ATOM 497 CD GLU B 33 -14.055 0.261 7.585 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.411 -0.881 7.943 1.00 0.00 O ATOM 499 OE2 GLU B 33 -14.525 1.302 8.088 1.00 0.00 O ATOM 0 HA GLU B 33 -12.305 1.649 4.128 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.449 0.810 4.999 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.838 -0.833 4.976 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.212 -0.343 6.689 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.530 1.377 6.587 1.00 0.00 H new ATOM 506 N TYR B 34 -10.162 0.432 3.910 1.00 0.00 N ATOM 507 CA TYR B 34 -8.866 -0.212 4.019 1.00 0.00 C ATOM 508 C TYR B 34 -8.387 -0.232 5.461 1.00 0.00 C ATOM 509 O TYR B 34 -8.830 0.567 6.288 1.00 0.00 O ATOM 510 CB TYR B 34 -7.843 0.500 3.141 1.00 0.00 C ATOM 511 CG TYR B 34 -8.187 0.478 1.671 1.00 0.00 C ATOM 512 CD1 TYR B 34 -8.043 -0.681 0.923 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.658 1.618 1.033 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.358 -0.707 -0.419 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.975 1.603 -0.310 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.823 0.439 -1.032 1.00 0.00 C ATOM 517 OH TYR B 34 -9.147 0.421 -2.369 1.00 0.00 O ATOM 0 H TYR B 34 -10.122 1.418 3.653 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.973 -1.242 3.677 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.754 1.536 3.469 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.868 0.035 3.284 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.678 -1.579 1.400 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.778 2.531 1.597 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.242 -1.618 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.340 2.498 -0.792 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.408 0.029 -2.879 1.00 0.00 H new ATOM 527 N GLU B 35 -7.497 -1.166 5.748 1.00 0.00 N ATOM 528 CA GLU B 35 -6.900 -1.288 7.062 1.00 0.00 C ATOM 529 C GLU B 35 -5.392 -1.452 6.909 1.00 0.00 C ATOM 530 O GLU B 35 -4.922 -2.390 6.262 1.00 0.00 O ATOM 531 CB GLU B 35 -7.507 -2.478 7.803 1.00 0.00 C ATOM 532 CG GLU B 35 -7.195 -2.504 9.292 1.00 0.00 C ATOM 533 CD GLU B 35 -7.857 -3.670 10.002 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.303 -4.786 9.975 1.00 0.00 O ATOM 535 OE2 GLU B 35 -8.946 -3.480 10.586 1.00 0.00 O ATOM 0 H GLU B 35 -7.170 -1.860 5.076 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.101 -0.390 7.647 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.589 -2.463 7.669 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.142 -3.400 7.350 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.116 -2.562 9.433 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.526 -1.570 9.746 1.00 0.00 H new ATOM 542 N VAL B 36 -4.656 -0.516 7.479 1.00 0.00 N ATOM 543 CA VAL B 36 -3.205 -0.462 7.341 1.00 0.00 C ATOM 544 C VAL B 36 -2.494 -1.127 8.523 1.00 0.00 C ATOM 545 O VAL B 36 -2.836 -0.892 9.684 1.00 0.00 O ATOM 546 CB VAL B 36 -2.728 1.002 7.222 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.219 1.074 7.053 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.435 1.701 6.070 1.00 0.00 C ATOM 0 H VAL B 36 -5.045 0.232 8.053 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.950 -1.010 6.434 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.984 1.518 8.147 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.911 2.117 6.972 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.734 0.619 7.917 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.928 0.538 6.149 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.087 2.732 6.001 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.215 1.180 5.138 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.511 1.693 6.245 1.00 0.00 H new ATOM 558 N LYS B 37 -1.505 -1.963 8.212 1.00 0.00 N ATOM 559 CA LYS B 37 -0.691 -2.625 9.227 1.00 0.00 C ATOM 560 C LYS B 37 0.778 -2.382 8.912 1.00 0.00 C ATOM 561 O LYS B 37 1.254 -2.751 7.840 1.00 0.00 O ATOM 562 CB LYS B 37 -0.955 -4.141 9.278 1.00 0.00 C ATOM 563 CG LYS B 37 -2.405 -4.541 9.523 1.00 0.00 C ATOM 564 CD LYS B 37 -3.249 -4.418 8.265 1.00 0.00 C ATOM 565 CE LYS B 37 -4.695 -4.789 8.523 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.876 -6.239 8.788 1.00 0.00 N ATOM 0 H LYS B 37 -1.247 -2.199 7.254 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.955 -2.209 10.199 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.628 -4.582 8.337 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.338 -4.575 10.065 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.442 -5.568 9.885 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.828 -3.912 10.306 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.197 -3.396 7.890 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.840 -5.064 7.488 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -5.066 -4.219 9.375 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -5.298 -4.503 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.802 -6.398 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -4.828 -6.764 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.124 -6.572 9.425 1.00 0.00 H new ATOM 580 N MET B 38 1.496 -1.764 9.832 1.00 0.00 N ATOM 581 CA MET B 38 2.879 -1.387 9.585 1.00 0.00 C ATOM 582 C MET B 38 3.832 -2.322 10.327 1.00 0.00 C ATOM 583 O MET B 38 3.516 -2.800 11.417 1.00 0.00 O ATOM 584 CB MET B 38 3.096 0.058 10.011 1.00 0.00 C ATOM 585 CG MET B 38 4.057 0.794 9.108 1.00 0.00 C ATOM 586 SD MET B 38 3.936 2.581 9.265 1.00 0.00 S ATOM 587 CE MET B 38 4.507 3.059 7.641 1.00 0.00 C ATOM 0 H MET B 38 1.147 -1.512 10.757 1.00 0.00 H new ATOM 0 HA MET B 38 3.089 -1.476 8.519 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.138 0.578 10.017 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.476 0.078 11.032 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.076 0.482 9.339 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.864 0.511 8.073 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.134 3.947 7.722 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.086 2.245 7.205 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.650 3.277 7.004 1.00 0.00 H new ATOM 597 N LYS B 39 4.991 -2.595 9.733 1.00 0.00 N ATOM 598 CA LYS B 39 5.942 -3.532 10.324 1.00 0.00 C ATOM 599 C LYS B 39 7.372 -3.110 9.993 1.00 0.00 C ATOM 600 O LYS B 39 7.681 -2.798 8.845 1.00 0.00 O ATOM 601 CB LYS B 39 5.662 -4.946 9.792 1.00 0.00 C ATOM 602 CG LYS B 39 5.977 -6.074 10.770 1.00 0.00 C ATOM 603 CD LYS B 39 7.469 -6.252 10.990 1.00 0.00 C ATOM 604 CE LYS B 39 7.759 -7.356 11.994 1.00 0.00 C ATOM 605 NZ LYS B 39 7.349 -8.695 11.491 1.00 0.00 N ATOM 0 H LYS B 39 5.293 -2.184 8.849 1.00 0.00 H new ATOM 0 HA LYS B 39 5.827 -3.530 11.408 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.611 -5.011 9.511 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.245 -5.099 8.884 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.494 -5.868 11.725 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.555 -7.006 10.394 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.952 -6.486 10.041 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.899 -5.315 11.344 1.00 0.00 H new ATOM 0 HE2 LYS B 39 8.825 -7.366 12.222 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.235 -7.144 12.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.701 -9.431 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 6.311 -8.745 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.748 -8.847 10.543 1.00 0.00 H new ATOM 619 N ARG B 40 8.238 -3.098 11.001 1.00 0.00 N ATOM 620 CA ARG B 40 9.635 -2.718 10.804 1.00 0.00 C ATOM 621 C ARG B 40 10.506 -3.946 10.599 1.00 0.00 C ATOM 622 O ARG B 40 10.366 -4.949 11.299 1.00 0.00 O ATOM 623 CB ARG B 40 10.173 -1.909 11.992 1.00 0.00 C ATOM 624 CG ARG B 40 9.690 -0.468 12.047 1.00 0.00 C ATOM 625 CD ARG B 40 8.207 -0.380 12.348 1.00 0.00 C ATOM 626 NE ARG B 40 7.886 -0.927 13.669 1.00 0.00 N ATOM 627 CZ ARG B 40 6.693 -0.833 14.250 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.699 -0.190 13.651 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.498 -1.374 15.446 1.00 0.00 N ATOM 0 H ARG B 40 7.999 -3.346 11.961 1.00 0.00 H new ATOM 0 HA ARG B 40 9.672 -2.094 9.911 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.885 -2.410 12.916 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.262 -1.912 11.953 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.248 0.073 12.811 1.00 0.00 H new ATOM 0 HG3 ARG B 40 9.897 0.021 11.095 1.00 0.00 H new ATOM 0 HD2 ARG B 40 7.887 0.661 12.298 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.648 -0.922 11.585 1.00 0.00 H new ATOM 0 HE ARG B 40 8.626 -1.412 14.177 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.846 0.238 12.737 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.788 -0.123 14.105 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.261 -1.860 15.917 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.585 -1.304 15.895 1.00 0.00 H new ATOM 643 N PHE B 41 11.399 -3.857 9.634 1.00 0.00 N ATOM 644 CA PHE B 41 12.354 -4.924 9.361 1.00 0.00 C ATOM 645 C PHE B 41 13.776 -4.429 9.575 1.00 0.00 C ATOM 646 O PHE B 41 14.009 -3.227 9.729 1.00 0.00 O ATOM 647 CB PHE B 41 12.193 -5.454 7.934 1.00 0.00 C ATOM 648 CG PHE B 41 11.033 -6.395 7.760 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.729 -5.930 7.797 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.252 -7.747 7.562 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.666 -6.798 7.639 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.194 -8.620 7.404 1.00 0.00 C ATOM 653 CZ PHE B 41 8.898 -8.146 7.445 1.00 0.00 C ATOM 0 H PHE B 41 11.487 -3.049 9.017 1.00 0.00 H new ATOM 0 HA PHE B 41 12.153 -5.740 10.055 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.068 -4.610 7.256 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.110 -5.965 7.641 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.541 -4.878 7.951 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.264 -8.124 7.531 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.654 -6.423 7.667 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.380 -9.672 7.249 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.068 -8.827 7.326 1.00 0.00 H new ATOM 663 N LYS B 42 14.718 -5.357 9.608 1.00 0.00 N ATOM 664 CA LYS B 42 16.118 -5.023 9.787 1.00 0.00 C ATOM 665 C LYS B 42 16.993 -6.135 9.225 1.00 0.00 C ATOM 666 O LYS B 42 17.043 -7.235 9.776 1.00 0.00 O ATOM 667 CB LYS B 42 16.431 -4.811 11.272 1.00 0.00 C ATOM 668 CG LYS B 42 17.805 -4.217 11.532 1.00 0.00 C ATOM 669 CD LYS B 42 17.898 -2.789 11.023 1.00 0.00 C ATOM 670 CE LYS B 42 19.272 -2.187 11.277 1.00 0.00 C ATOM 671 NZ LYS B 42 19.616 -2.163 12.723 1.00 0.00 N ATOM 0 H LYS B 42 14.534 -6.356 9.512 1.00 0.00 H new ATOM 0 HA LYS B 42 16.328 -4.098 9.251 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.675 -4.155 11.703 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.355 -5.767 11.789 1.00 0.00 H new ATOM 0 HG2 LYS B 42 18.015 -4.238 12.601 1.00 0.00 H new ATOM 0 HG3 LYS B 42 18.565 -4.828 11.046 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.685 -2.769 9.954 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.138 -2.179 11.511 1.00 0.00 H new ATOM 0 HE2 LYS B 42 20.024 -2.761 10.736 1.00 0.00 H new ATOM 0 HE3 LYS B 42 19.301 -1.172 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 20.447 -1.555 12.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 18.811 -1.789 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 19.831 -3.128 13.045 1.00 0.00 H new ATOM 685 N GLY B 43 17.660 -5.855 8.116 1.00 0.00 N ATOM 686 CA GLY B 43 18.543 -6.837 7.519 1.00 0.00 C ATOM 687 C GLY B 43 17.886 -7.581 6.377 1.00 0.00 C ATOM 688 O GLY B 43 18.404 -8.591 5.900 1.00 0.00 O ATOM 0 H GLY B 43 17.606 -4.966 7.618 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.443 -6.340 7.156 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.858 -7.550 8.281 1.00 0.00 H new ATOM 692 N ALA B 44 16.741 -7.083 5.937 1.00 0.00 N ATOM 693 CA ALA B 44 16.021 -7.681 4.831 1.00 0.00 C ATOM 694 C ALA B 44 16.051 -6.753 3.628 1.00 0.00 C ATOM 695 O ALA B 44 16.509 -5.611 3.736 1.00 0.00 O ATOM 696 CB ALA B 44 14.587 -7.996 5.235 1.00 0.00 C ATOM 0 H ALA B 44 16.290 -6.259 6.335 1.00 0.00 H new ATOM 0 HA ALA B 44 16.508 -8.617 4.559 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.062 -8.444 4.392 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.590 -8.693 6.073 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.082 -7.076 5.530 1.00 0.00 H new ATOM 702 N ALA B 45 15.582 -7.236 2.487 1.00 0.00 N ATOM 703 CA ALA B 45 15.527 -6.426 1.276 1.00 0.00 C ATOM 704 C ALA B 45 14.669 -5.185 1.496 1.00 0.00 C ATOM 705 O ALA B 45 14.857 -4.154 0.851 1.00 0.00 O ATOM 706 CB ALA B 45 14.986 -7.251 0.122 1.00 0.00 C ATOM 0 H ALA B 45 15.233 -8.188 2.373 1.00 0.00 H new ATOM 0 HA ALA B 45 16.537 -6.099 1.030 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.949 -6.637 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.638 -8.108 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.983 -7.601 0.364 1.00 0.00 H new ATOM 712 N TYR B 46 13.759 -5.286 2.448 1.00 0.00 N ATOM 713 CA TYR B 46 12.857 -4.209 2.768 1.00 0.00 C ATOM 714 C TYR B 46 12.988 -3.882 4.241 1.00 0.00 C ATOM 715 O TYR B 46 13.201 -4.769 5.065 1.00 0.00 O ATOM 716 CB TYR B 46 11.415 -4.584 2.405 1.00 0.00 C ATOM 717 CG TYR B 46 11.119 -6.056 2.554 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.852 -6.611 3.796 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.119 -6.894 1.444 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.599 -7.958 3.932 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.862 -8.242 1.573 1.00 0.00 C ATOM 722 CZ TYR B 46 10.605 -8.768 2.819 1.00 0.00 C ATOM 723 OH TYR B 46 10.355 -10.109 2.952 1.00 0.00 O ATOM 0 H TYR B 46 13.629 -6.121 3.019 1.00 0.00 H new ATOM 0 HA TYR B 46 13.116 -3.326 2.184 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.731 -4.018 3.038 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.219 -4.285 1.376 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.842 -5.977 4.670 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.323 -6.482 0.467 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.397 -8.377 4.907 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.862 -8.881 0.703 1.00 0.00 H new ATOM 0 HH TYR B 46 11.051 -10.619 2.488 1.00 0.00 H new ATOM 733 N LYS B 47 12.901 -2.608 4.559 1.00 0.00 N ATOM 734 CA LYS B 47 13.106 -2.138 5.919 1.00 0.00 C ATOM 735 C LYS B 47 11.770 -1.849 6.574 1.00 0.00 C ATOM 736 O LYS B 47 11.665 -1.761 7.801 1.00 0.00 O ATOM 737 CB LYS B 47 13.978 -0.873 5.937 1.00 0.00 C ATOM 738 CG LYS B 47 15.437 -1.092 5.536 1.00 0.00 C ATOM 739 CD LYS B 47 15.591 -1.471 4.069 1.00 0.00 C ATOM 740 CE LYS B 47 15.141 -0.352 3.141 1.00 0.00 C ATOM 741 NZ LYS B 47 15.089 -0.801 1.728 1.00 0.00 N ATOM 0 H LYS B 47 12.687 -1.870 3.888 1.00 0.00 H new ATOM 0 HA LYS B 47 13.621 -2.920 6.476 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.538 -0.136 5.265 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.952 -0.445 6.939 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.005 -0.183 5.734 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.867 -1.878 6.157 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.634 -1.714 3.865 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.008 -2.369 3.863 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.156 0.001 3.447 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.825 0.492 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 15.013 0.027 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.955 -1.329 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.262 -1.416 1.589 1.00 0.00 H new ATOM 755 N LEU B 48 10.754 -1.694 5.746 1.00 0.00 N ATOM 756 CA LEU B 48 9.415 -1.414 6.223 1.00 0.00 C ATOM 757 C LEU B 48 8.397 -2.195 5.396 1.00 0.00 C ATOM 758 O LEU B 48 8.475 -2.227 4.167 1.00 0.00 O ATOM 759 CB LEU B 48 9.143 0.093 6.132 1.00 0.00 C ATOM 760 CG LEU B 48 8.361 0.710 7.299 1.00 0.00 C ATOM 761 CD1 LEU B 48 6.976 0.115 7.408 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.104 0.518 8.607 1.00 0.00 C ATOM 0 H LEU B 48 10.833 -1.758 4.731 1.00 0.00 H new ATOM 0 HA LEU B 48 9.325 -1.724 7.264 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.099 0.610 6.049 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.594 0.287 5.211 1.00 0.00 H new ATOM 0 HG LEU B 48 8.265 1.777 7.098 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.448 0.573 8.244 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.426 0.302 6.486 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.054 -0.960 7.573 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.531 0.963 9.420 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.236 -0.547 8.797 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.080 0.999 8.545 1.00 0.00 H new ATOM 774 N ARG B 49 7.464 -2.846 6.075 1.00 0.00 N ATOM 775 CA ARG B 49 6.403 -3.586 5.407 1.00 0.00 C ATOM 776 C ARG B 49 5.048 -3.012 5.802 1.00 0.00 C ATOM 777 O ARG B 49 4.703 -2.985 6.982 1.00 0.00 O ATOM 778 CB ARG B 49 6.461 -5.065 5.784 1.00 0.00 C ATOM 779 CG ARG B 49 5.544 -5.945 4.951 1.00 0.00 C ATOM 780 CD ARG B 49 5.417 -7.341 5.541 1.00 0.00 C ATOM 781 NE ARG B 49 4.642 -7.340 6.781 1.00 0.00 N ATOM 782 CZ ARG B 49 4.176 -8.439 7.379 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.443 -9.642 6.881 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.449 -8.329 8.483 1.00 0.00 N ATOM 0 H ARG B 49 7.420 -2.877 7.094 1.00 0.00 H new ATOM 0 HA ARG B 49 6.540 -3.493 4.330 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.486 -5.418 5.675 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.197 -5.173 6.836 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.558 -5.486 4.887 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.930 -6.013 3.934 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.940 -8.000 4.815 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.411 -7.745 5.734 1.00 0.00 H new ATOM 0 HE ARG B 49 4.444 -6.440 7.218 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.008 -9.730 6.036 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.083 -10.477 7.344 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.248 -7.408 8.872 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.091 -9.166 8.943 1.00 0.00 H new ATOM 798 N ILE B 50 4.292 -2.544 4.825 1.00 0.00 N ATOM 799 CA ILE B 50 2.989 -1.952 5.094 1.00 0.00 C ATOM 800 C ILE B 50 1.906 -2.770 4.403 1.00 0.00 C ATOM 801 O ILE B 50 2.008 -3.080 3.218 1.00 0.00 O ATOM 802 CB ILE B 50 2.886 -0.470 4.633 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.062 0.385 5.131 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.591 0.137 5.140 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.382 0.119 4.447 1.00 0.00 C ATOM 0 H ILE B 50 4.555 -2.561 3.840 1.00 0.00 H new ATOM 0 HA ILE B 50 2.853 -1.963 6.175 1.00 0.00 H new ATOM 0 HB ILE B 50 2.911 -0.474 3.543 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.808 1.437 4.999 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.185 0.218 6.201 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.524 1.175 4.814 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.746 -0.424 4.741 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.572 0.096 6.229 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.148 0.771 4.868 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.668 -0.922 4.600 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.285 0.316 3.379 1.00 0.00 H new ATOM 817 N LEU B 51 0.891 -3.136 5.163 1.00 0.00 N ATOM 818 CA LEU B 51 -0.194 -3.965 4.665 1.00 0.00 C ATOM 819 C LEU B 51 -1.489 -3.178 4.650 1.00 0.00 C ATOM 820 O LEU B 51 -1.987 -2.779 5.696 1.00 0.00 O ATOM 821 CB LEU B 51 -0.361 -5.211 5.543 1.00 0.00 C ATOM 822 CG LEU B 51 0.478 -6.428 5.150 1.00 0.00 C ATOM 823 CD1 LEU B 51 0.043 -6.946 3.797 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.957 -6.094 5.134 1.00 0.00 C ATOM 0 H LEU B 51 0.794 -2.868 6.142 1.00 0.00 H new ATOM 0 HA LEU B 51 0.049 -4.276 3.649 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.115 -4.942 6.570 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.412 -5.500 5.532 1.00 0.00 H new ATOM 0 HG LEU B 51 0.317 -7.205 5.898 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.647 -7.812 3.528 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.007 -7.235 3.838 1.00 0.00 H new ATOM 0 HD13 LEU B 51 0.175 -6.165 3.049 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.527 -6.979 4.851 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.142 -5.297 4.413 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.266 -5.765 6.126 1.00 0.00 H new ATOM 836 N ILE B 52 -2.018 -2.938 3.469 1.00 0.00 N ATOM 837 CA ILE B 52 -3.268 -2.212 3.339 1.00 0.00 C ATOM 838 C ILE B 52 -4.311 -3.098 2.681 1.00 0.00 C ATOM 839 O ILE B 52 -4.279 -3.310 1.471 1.00 0.00 O ATOM 840 CB ILE B 52 -3.113 -0.920 2.504 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.978 -0.045 3.048 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.419 -0.143 2.488 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.619 -0.389 2.478 1.00 0.00 C ATOM 0 H ILE B 52 -1.604 -3.234 2.585 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.580 -1.930 4.344 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.860 -1.205 1.483 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.200 1.000 2.830 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.943 -0.144 4.133 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.295 0.764 1.897 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.203 -0.759 2.048 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.696 0.124 3.508 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.134 0.271 2.909 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.375 -1.424 2.719 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.636 -0.262 1.395 1.00 0.00 H new ATOM 855 N GLU B 53 -5.232 -3.624 3.468 1.00 0.00 N ATOM 856 CA GLU B 53 -6.213 -4.549 2.934 1.00 0.00 C ATOM 857 C GLU B 53 -7.596 -3.925 2.909 1.00 0.00 C ATOM 858 O GLU B 53 -7.907 -3.030 3.694 1.00 0.00 O ATOM 859 CB GLU B 53 -6.225 -5.847 3.736 1.00 0.00 C ATOM 860 CG GLU B 53 -6.788 -5.700 5.137 1.00 0.00 C ATOM 861 CD GLU B 53 -6.607 -6.950 5.970 1.00 0.00 C ATOM 862 OE1 GLU B 53 -5.459 -7.245 6.367 1.00 0.00 O ATOM 863 OE2 GLU B 53 -7.605 -7.651 6.232 1.00 0.00 O ATOM 0 H GLU B 53 -5.321 -3.430 4.465 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.929 -4.781 1.908 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.811 -6.591 3.196 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.207 -6.231 3.803 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.300 -4.862 5.635 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.849 -5.460 5.075 1.00 0.00 H new ATOM 870 N ASN B 54 -8.406 -4.401 1.988 1.00 0.00 N ATOM 871 CA ASN B 54 -9.758 -3.903 1.808 1.00 0.00 C ATOM 872 C ASN B 54 -10.739 -4.768 2.581 1.00 0.00 C ATOM 873 O ASN B 54 -10.930 -5.940 2.261 1.00 0.00 O ATOM 874 CB ASN B 54 -10.128 -3.924 0.324 1.00 0.00 C ATOM 875 CG ASN B 54 -11.331 -3.063 -0.030 1.00 0.00 C ATOM 876 OD1 ASN B 54 -12.290 -2.947 0.876 1.00 0.00 O flip ATOM 877 ND2 ASN B 54 -11.406 -2.520 -1.132 1.00 0.00 N flip ATOM 0 H ASN B 54 -8.148 -5.146 1.340 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.806 -2.880 2.181 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.270 -3.587 -0.258 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.331 -4.953 0.026 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -10.649 -2.630 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.225 -1.960 -1.370 1.00 0.00 H new ATOM 884 N LYS B 55 -11.349 -4.191 3.597 1.00 0.00 N ATOM 885 CA LYS B 55 -12.364 -4.887 4.366 1.00 0.00 C ATOM 886 C LYS B 55 -13.536 -3.955 4.671 1.00 0.00 C ATOM 887 O LYS B 55 -13.540 -3.245 5.675 1.00 0.00 O ATOM 888 CB LYS B 55 -11.733 -5.422 5.654 1.00 0.00 C ATOM 889 CG LYS B 55 -10.776 -4.433 6.305 1.00 0.00 C ATOM 890 CD LYS B 55 -10.062 -5.035 7.502 1.00 0.00 C ATOM 891 CE LYS B 55 -11.033 -5.411 8.604 1.00 0.00 C ATOM 892 NZ LYS B 55 -10.326 -5.774 9.858 1.00 0.00 N ATOM 0 H LYS B 55 -11.159 -3.239 3.911 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.754 -5.724 3.788 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.523 -5.673 6.362 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.197 -6.345 5.433 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.040 -4.105 5.571 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.329 -3.548 6.620 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.508 -5.920 7.188 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.333 -4.322 7.887 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.708 -4.576 8.795 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.648 -6.250 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -10.979 -6.277 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.518 -6.389 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.985 -4.911 10.327 1.00 0.00 H new ATOM 906 N ALA B 56 -14.526 -3.964 3.792 1.00 0.00 N ATOM 907 CA ALA B 56 -15.719 -3.149 3.962 1.00 0.00 C ATOM 908 C ALA B 56 -16.975 -3.930 3.580 1.00 0.00 C ATOM 909 O ALA B 56 -16.882 -4.950 2.896 1.00 0.00 O ATOM 910 CB ALA B 56 -15.606 -1.886 3.128 1.00 0.00 C ATOM 0 H ALA B 56 -14.526 -4.533 2.945 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.802 -2.874 5.014 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.503 -1.281 3.261 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.733 -1.316 3.447 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.500 -2.153 2.076 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.672 1.227 -8.455 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.646 1.779 -7.590 1.00 0.00 C ATOM 1029 C PHE B 64 -3.576 2.467 -8.415 1.00 0.00 C ATOM 1030 O PHE B 64 -3.087 1.905 -9.394 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.002 0.677 -6.744 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.918 0.082 -5.717 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -5.012 0.644 -4.459 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.679 -1.039 -6.005 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.846 0.102 -3.502 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.516 -1.585 -5.054 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.600 -1.015 -3.800 1.00 0.00 C ATOM 0 HA PHE B 64 -5.118 2.506 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.650 -0.115 -7.405 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.125 1.085 -6.241 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.425 1.519 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.616 -1.490 -6.984 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.908 0.551 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.105 -2.458 -5.291 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.254 -1.442 -3.054 1.00 0.00 H new ATOM 1047 N SER B 65 -3.229 3.682 -8.036 1.00 0.00 N ATOM 1048 CA SER B 65 -2.114 4.372 -8.657 1.00 0.00 C ATOM 1049 C SER B 65 -1.275 5.067 -7.588 1.00 0.00 C ATOM 1050 O SER B 65 -1.381 6.278 -7.381 1.00 0.00 O ATOM 1051 CB SER B 65 -2.623 5.378 -9.691 1.00 0.00 C ATOM 1052 OG SER B 65 -3.377 4.722 -10.701 1.00 0.00 O ATOM 0 H SER B 65 -3.702 4.211 -7.303 1.00 0.00 H new ATOM 0 HA SER B 65 -1.486 3.646 -9.173 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.240 6.131 -9.200 1.00 0.00 H new ATOM 0 HB3 SER B 65 -1.780 5.902 -10.142 1.00 0.00 H new ATOM 0 HG SER B 65 -3.695 5.382 -11.352 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.424 4.290 -6.901 1.00 0.00 N ATOM 1059 CA PRO B 66 0.436 4.803 -5.840 1.00 0.00 C ATOM 1060 C PRO B 66 1.634 5.574 -6.377 1.00 0.00 C ATOM 1061 O PRO B 66 2.099 5.340 -7.496 1.00 0.00 O ATOM 1062 CB PRO B 66 0.894 3.539 -5.116 1.00 0.00 C ATOM 1063 CG PRO B 66 0.849 2.470 -6.149 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.262 2.837 -7.092 1.00 0.00 C ATOM 0 HA PRO B 66 -0.089 5.513 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.900 3.657 -4.713 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.239 3.305 -4.276 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.800 2.401 -6.677 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.666 1.497 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.006 2.596 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.180 2.298 -6.857 1.00 0.00 H new ATOM 1072 N SER B 67 2.128 6.501 -5.578 1.00 0.00 N ATOM 1073 CA SER B 67 3.270 7.310 -5.958 1.00 0.00 C ATOM 1074 C SER B 67 4.007 7.794 -4.715 1.00 0.00 C ATOM 1075 O SER B 67 3.394 8.031 -3.670 1.00 0.00 O ATOM 1076 CB SER B 67 2.831 8.508 -6.805 1.00 0.00 C ATOM 1077 OG SER B 67 2.004 8.107 -7.888 1.00 0.00 O ATOM 0 H SER B 67 1.752 6.713 -4.654 1.00 0.00 H new ATOM 0 HA SER B 67 3.942 6.693 -6.555 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.292 9.219 -6.179 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.711 9.024 -7.190 1.00 0.00 H new ATOM 0 HG SER B 67 1.740 8.895 -8.407 1.00 0.00 H new ATOM 1083 N TYR B 68 5.317 7.931 -4.833 1.00 0.00 N ATOM 1084 CA TYR B 68 6.144 8.374 -3.726 1.00 0.00 C ATOM 1085 C TYR B 68 6.550 9.826 -3.919 1.00 0.00 C ATOM 1086 O TYR B 68 7.182 10.181 -4.915 1.00 0.00 O ATOM 1087 CB TYR B 68 7.392 7.495 -3.594 1.00 0.00 C ATOM 1088 CG TYR B 68 8.406 8.030 -2.604 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.076 8.210 -1.266 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.686 8.378 -3.015 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.994 8.719 -0.367 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.604 8.895 -2.120 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.254 9.062 -0.800 1.00 0.00 C ATOM 1094 OH TYR B 68 11.163 9.592 0.088 1.00 0.00 O ATOM 0 H TYR B 68 5.833 7.740 -5.692 1.00 0.00 H new ATOM 0 HA TYR B 68 5.560 8.287 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR B 68 7.090 6.493 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.865 7.400 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.086 7.948 -0.923 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.968 8.243 -4.049 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.723 8.847 0.671 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.594 9.167 -2.456 1.00 0.00 H new ATOM 0 HH TYR B 68 12.005 9.778 -0.378 1.00 0.00 H new ATOM 1104 N ASN B 69 6.179 10.661 -2.969 1.00 0.00 N ATOM 1105 CA ASN B 69 6.576 12.055 -2.996 1.00 0.00 C ATOM 1106 C ASN B 69 7.753 12.289 -2.061 1.00 0.00 C ATOM 1107 O ASN B 69 7.627 12.186 -0.842 1.00 0.00 O ATOM 1108 CB ASN B 69 5.397 12.974 -2.647 1.00 0.00 C ATOM 1109 CG ASN B 69 4.575 12.496 -1.463 1.00 0.00 C ATOM 1110 OD1 ASN B 69 4.909 12.975 -0.282 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.630 11.724 -1.616 1.00 0.00 N flip ATOM 0 H ASN B 69 5.603 10.399 -2.169 1.00 0.00 H new ATOM 0 HA ASN B 69 6.892 12.301 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.778 13.973 -2.433 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.746 13.061 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.402 11.375 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.074 11.433 -0.812 1.00 0.00 H new ATOM 1118 N PHE B 70 8.903 12.604 -2.655 1.00 0.00 N ATOM 1119 CA PHE B 70 10.146 12.809 -1.910 1.00 0.00 C ATOM 1120 C PHE B 70 10.015 13.992 -0.968 1.00 0.00 C ATOM 1121 O PHE B 70 10.591 14.004 0.118 1.00 0.00 O ATOM 1122 CB PHE B 70 11.316 13.073 -2.865 1.00 0.00 C ATOM 1123 CG PHE B 70 11.690 11.910 -3.740 1.00 0.00 C ATOM 1124 CD1 PHE B 70 10.969 11.627 -4.887 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.779 11.112 -3.424 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.323 10.569 -5.699 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.135 10.050 -4.232 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.407 9.779 -5.372 1.00 0.00 C ATOM 0 H PHE B 70 9.000 12.724 -3.663 1.00 0.00 H new ATOM 0 HA PHE B 70 10.339 11.901 -1.338 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.063 13.921 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.187 13.363 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.120 12.241 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.356 11.323 -2.536 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.752 10.359 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.982 9.433 -3.972 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.684 8.951 -6.007 1.00 0.00 H new ATOM 1138 N ALA B 71 9.241 14.978 -1.400 1.00 0.00 N ATOM 1139 CA ALA B 71 9.077 16.222 -0.663 1.00 0.00 C ATOM 1140 C ALA B 71 8.571 15.980 0.754 1.00 0.00 C ATOM 1141 O ALA B 71 9.025 16.615 1.701 1.00 0.00 O ATOM 1142 CB ALA B 71 8.127 17.134 -1.414 1.00 0.00 C ATOM 0 H ALA B 71 8.710 14.938 -2.270 1.00 0.00 H new ATOM 0 HA ALA B 71 10.054 16.698 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.004 18.066 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.534 17.349 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.159 16.644 -1.519 1.00 0.00 H new ATOM 1148 N GLU B 72 7.629 15.060 0.895 1.00 0.00 N ATOM 1149 CA GLU B 72 7.061 14.762 2.202 1.00 0.00 C ATOM 1150 C GLU B 72 7.457 13.362 2.641 1.00 0.00 C ATOM 1151 O GLU B 72 7.021 12.887 3.685 1.00 0.00 O ATOM 1152 CB GLU B 72 5.539 14.863 2.166 1.00 0.00 C ATOM 1153 CG GLU B 72 5.015 15.916 1.205 1.00 0.00 C ATOM 1154 CD GLU B 72 3.502 15.951 1.147 1.00 0.00 C ATOM 1155 OE1 GLU B 72 2.908 15.121 0.428 1.00 0.00 O ATOM 1156 OE2 GLU B 72 2.895 16.809 1.821 1.00 0.00 O ATOM 0 H GLU B 72 7.244 14.510 0.127 1.00 0.00 H new ATOM 0 HA GLU B 72 7.450 15.492 2.912 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.127 13.893 1.887 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.176 15.087 3.169 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.386 16.895 1.508 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.409 15.720 0.208 1.00 0.00 H new ATOM 1163 N ASN B 73 8.285 12.718 1.805 1.00 0.00 N ATOM 1164 CA ASN B 73 8.742 11.329 1.992 1.00 0.00 C ATOM 1165 C ASN B 73 7.578 10.393 2.334 1.00 0.00 C ATOM 1166 O ASN B 73 7.663 9.548 3.230 1.00 0.00 O ATOM 1167 CB ASN B 73 9.879 11.217 3.030 1.00 0.00 C ATOM 1168 CG ASN B 73 9.529 11.787 4.390 1.00 0.00 C ATOM 1169 OD1 ASN B 73 8.862 10.994 5.204 1.00 0.00 O flip ATOM 1170 ND2 ASN B 73 9.843 12.940 4.698 1.00 0.00 N flip ATOM 0 H ASN B 73 8.664 13.154 0.964 1.00 0.00 H new ATOM 0 HA ASN B 73 9.156 11.007 1.036 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.150 10.167 3.146 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.759 11.733 2.647 1.00 0.00 H new ATOM 0 HD21 ASN B 73 10.360 13.521 4.038 1.00 0.00 H new ATOM 0 HD22 ASN B 73 9.586 13.312 5.612 1.00 0.00 H new ATOM 1177 N ILE B 74 6.494 10.537 1.586 1.00 0.00 N ATOM 1178 CA ILE B 74 5.297 9.745 1.809 1.00 0.00 C ATOM 1179 C ILE B 74 4.927 8.946 0.561 1.00 0.00 C ATOM 1180 O ILE B 74 5.045 9.436 -0.562 1.00 0.00 O ATOM 1181 CB ILE B 74 4.127 10.659 2.239 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.434 11.249 3.617 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.799 9.906 2.247 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.648 12.490 3.949 1.00 0.00 C ATOM 0 H ILE B 74 6.421 11.200 0.815 1.00 0.00 H new ATOM 0 HA ILE B 74 5.500 9.035 2.611 1.00 0.00 H new ATOM 0 HB ILE B 74 4.026 11.467 1.514 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.234 10.493 4.376 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.498 11.481 3.671 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.000 10.581 2.554 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.589 9.527 1.247 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.858 9.072 2.946 1.00 0.00 H new ATOM 0 HD11 ILE B 74 3.926 12.842 4.942 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.865 13.266 3.215 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.582 12.262 3.931 1.00 0.00 H new ATOM 1196 N LEU B 75 4.512 7.707 0.773 1.00 0.00 N ATOM 1197 CA LEU B 75 4.065 6.841 -0.305 1.00 0.00 C ATOM 1198 C LEU B 75 2.544 6.799 -0.295 1.00 0.00 C ATOM 1199 O LEU B 75 1.935 6.139 0.543 1.00 0.00 O ATOM 1200 CB LEU B 75 4.672 5.433 -0.124 1.00 0.00 C ATOM 1201 CG LEU B 75 4.407 4.400 -1.237 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.018 3.791 -1.114 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.591 5.025 -2.609 1.00 0.00 C ATOM 0 H LEU B 75 4.476 7.274 1.696 1.00 0.00 H new ATOM 0 HA LEU B 75 4.398 7.224 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.751 5.542 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.297 5.022 0.814 1.00 0.00 H new ATOM 0 HG LEU B 75 5.136 3.598 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.866 3.067 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.924 3.291 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.268 4.578 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.399 4.277 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.894 5.855 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.612 5.392 -2.707 1.00 0.00 H new ATOM 1215 N TYR B 76 1.923 7.526 -1.204 1.00 0.00 N ATOM 1216 CA TYR B 76 0.476 7.591 -1.237 1.00 0.00 C ATOM 1217 C TYR B 76 -0.069 6.500 -2.151 1.00 0.00 C ATOM 1218 O TYR B 76 0.515 6.200 -3.193 1.00 0.00 O ATOM 1219 CB TYR B 76 0.015 8.992 -1.675 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.564 9.067 -3.069 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -1.922 8.879 -3.281 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.241 9.332 -4.166 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -2.463 8.951 -4.547 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -0.293 9.404 -5.439 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.648 9.212 -5.622 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.192 9.286 -6.885 1.00 0.00 O ATOM 0 H TYR B 76 2.393 8.075 -1.923 1.00 0.00 H new ATOM 0 HA TYR B 76 0.080 7.417 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.733 9.350 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.864 9.673 -1.613 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.567 8.673 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.301 9.484 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -3.523 8.803 -4.693 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.346 9.609 -6.285 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.086 8.423 -7.338 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.174 5.897 -1.734 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.785 4.806 -2.479 1.00 0.00 C ATOM 1238 C ILE B 77 -2.879 5.335 -3.397 1.00 0.00 C ATOM 1239 O ILE B 77 -2.868 5.097 -4.601 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.390 3.752 -1.524 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.305 3.136 -0.632 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.114 2.670 -2.309 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.248 2.363 -1.391 1.00 0.00 C ATOM 0 H ILE B 77 -1.668 6.148 -0.878 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.003 4.336 -3.076 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.114 4.254 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.821 3.931 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.778 2.471 0.091 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.533 1.938 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.918 3.120 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.412 2.176 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.482 1.959 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.717 1.545 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.254 3.027 -2.094 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.815 6.060 -2.804 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.926 6.662 -3.531 1.00 0.00 C ATOM 1257 C ASN B 78 -5.333 7.941 -2.820 1.00 0.00 C ATOM 1258 O ASN B 78 -4.768 8.272 -1.780 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.125 5.703 -3.600 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.061 4.724 -4.763 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.507 5.023 -5.820 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.638 3.545 -4.579 1.00 0.00 N ATOM 0 H ASN B 78 -3.827 6.249 -1.802 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.609 6.878 -4.551 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.184 5.142 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.042 6.287 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.632 2.852 -5.327 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -7.088 3.331 -3.689 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.320 8.644 -3.355 1.00 0.00 N ATOM 1270 CA GLY B 79 -6.814 9.846 -2.701 1.00 0.00 C ATOM 1271 C GLY B 79 -7.638 9.523 -1.469 1.00 0.00 C ATOM 1272 O GLY B 79 -8.249 10.402 -0.863 1.00 0.00 O ATOM 0 H GLY B 79 -6.790 8.407 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -5.972 10.478 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.420 10.418 -3.403 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.660 8.248 -1.115 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.399 7.767 0.034 1.00 0.00 C ATOM 1278 C LYS B 80 -7.478 7.658 1.238 1.00 0.00 C ATOM 1279 O LYS B 80 -7.869 7.955 2.368 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.004 6.411 -0.317 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.647 6.427 -1.690 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.147 5.066 -2.123 1.00 0.00 C ATOM 1283 CE LYS B 80 -10.656 5.120 -3.554 1.00 0.00 C ATOM 1284 NZ LYS B 80 -11.311 3.856 -3.972 1.00 0.00 N ATOM 0 H LYS B 80 -7.162 7.516 -1.622 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.197 8.464 0.290 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.228 5.646 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.749 6.139 0.431 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -10.480 7.130 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -8.924 6.792 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -9.343 4.334 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.946 4.736 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.364 5.943 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -9.824 5.333 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -11.640 3.944 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -10.630 3.073 -3.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.123 3.664 -3.351 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.243 7.246 0.986 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.251 7.126 2.043 1.00 0.00 C ATOM 1300 C LEU B 81 -3.826 7.168 1.500 1.00 0.00 C ATOM 1301 O LEU B 81 -3.561 6.799 0.349 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.474 5.859 2.890 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.853 4.573 2.141 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.777 4.160 1.151 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.092 3.460 3.139 1.00 0.00 C ATOM 0 H LEU B 81 -5.905 6.989 0.058 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.382 7.993 2.691 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.562 5.665 3.455 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.259 6.071 3.616 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.764 4.767 1.575 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.083 3.246 0.642 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.633 4.954 0.418 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.842 3.984 1.683 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.361 2.547 2.608 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.184 3.289 3.718 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.903 3.742 3.811 1.00 0.00 H new ATOM 1317 N SER B 82 -2.921 7.636 2.335 1.00 0.00 N ATOM 1318 CA SER B 82 -1.515 7.684 2.000 1.00 0.00 C ATOM 1319 C SER B 82 -0.701 7.035 3.111 1.00 0.00 C ATOM 1320 O SER B 82 -1.102 7.065 4.275 1.00 0.00 O ATOM 1321 CB SER B 82 -1.080 9.135 1.784 1.00 0.00 C ATOM 1322 OG SER B 82 -1.482 9.955 2.866 1.00 0.00 O ATOM 0 H SER B 82 -3.141 7.993 3.265 1.00 0.00 H new ATOM 0 HA SER B 82 -1.342 7.133 1.076 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.003 9.180 1.673 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.512 9.513 0.857 1.00 0.00 H new ATOM 0 HG SER B 82 -1.190 10.876 2.704 1.00 0.00 H new ATOM 1328 N ILE B 83 0.417 6.428 2.756 1.00 0.00 N ATOM 1329 CA ILE B 83 1.260 5.763 3.732 1.00 0.00 C ATOM 1330 C ILE B 83 2.516 6.589 4.001 1.00 0.00 C ATOM 1331 O ILE B 83 3.432 6.636 3.176 1.00 0.00 O ATOM 1332 CB ILE B 83 1.654 4.347 3.255 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.400 3.493 3.023 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.581 3.677 4.258 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.481 3.344 4.249 1.00 0.00 C ATOM 0 H ILE B 83 0.762 6.382 1.797 1.00 0.00 H new ATOM 0 HA ILE B 83 0.690 5.668 4.656 1.00 0.00 H new ATOM 0 HB ILE B 83 2.189 4.440 2.310 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.186 3.938 2.219 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.705 2.503 2.685 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.845 2.682 3.901 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.486 4.274 4.372 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.077 3.595 5.221 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.346 2.727 4.003 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.087 2.870 5.050 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.818 4.327 4.576 1.00 0.00 H new ATOM 1347 N PRO B 84 2.563 7.273 5.152 1.00 0.00 N ATOM 1348 CA PRO B 84 3.701 8.109 5.514 1.00 0.00 C ATOM 1349 C PRO B 84 4.898 7.287 5.963 1.00 0.00 C ATOM 1350 O PRO B 84 4.779 6.385 6.795 1.00 0.00 O ATOM 1351 CB PRO B 84 3.166 8.964 6.657 1.00 0.00 C ATOM 1352 CG PRO B 84 2.095 8.137 7.285 1.00 0.00 C ATOM 1353 CD PRO B 84 1.515 7.281 6.189 1.00 0.00 C ATOM 0 HA PRO B 84 4.065 8.695 4.670 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.952 9.203 7.373 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.770 9.911 6.290 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.502 7.519 8.085 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.327 8.770 7.730 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.296 6.274 6.543 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.581 7.696 5.810 1.00 0.00 H new ATOM 1361 N LEU B 85 6.053 7.608 5.413 1.00 0.00 N ATOM 1362 CA LEU B 85 7.254 6.846 5.686 1.00 0.00 C ATOM 1363 C LEU B 85 8.120 7.575 6.701 1.00 0.00 C ATOM 1364 O LEU B 85 8.135 8.804 6.744 1.00 0.00 O ATOM 1365 CB LEU B 85 8.021 6.630 4.384 1.00 0.00 C ATOM 1366 CG LEU B 85 7.192 6.024 3.250 1.00 0.00 C ATOM 1367 CD1 LEU B 85 8.013 5.958 1.980 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.685 4.642 3.634 1.00 0.00 C ATOM 0 H LEU B 85 6.184 8.392 4.774 1.00 0.00 H new ATOM 0 HA LEU B 85 6.982 5.877 6.105 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.423 7.587 4.051 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.872 5.979 4.583 1.00 0.00 H new ATOM 0 HG LEU B 85 6.328 6.664 3.072 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.412 5.525 1.180 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.325 6.963 1.696 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.894 5.338 2.148 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.098 4.229 2.814 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.532 3.988 3.839 1.00 0.00 H new ATOM 0 HD23 LEU B 85 6.061 4.718 4.525 1.00 0.00 H new ATOM 1380 N PRO B 86 8.830 6.825 7.555 1.00 0.00 N ATOM 1381 CA PRO B 86 9.743 7.409 8.531 1.00 0.00 C ATOM 1382 C PRO B 86 10.930 8.077 7.851 1.00 0.00 C ATOM 1383 O PRO B 86 11.453 7.576 6.854 1.00 0.00 O ATOM 1384 CB PRO B 86 10.202 6.216 9.373 1.00 0.00 C ATOM 1385 CG PRO B 86 9.968 5.023 8.515 1.00 0.00 C ATOM 1386 CD PRO B 86 8.793 5.354 7.639 1.00 0.00 C ATOM 0 HA PRO B 86 9.266 8.188 9.126 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.254 6.306 9.644 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.638 6.149 10.303 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.849 4.798 7.914 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.763 4.142 9.123 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.883 4.893 6.655 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.857 5.000 8.072 1.00 0.00 H new ATOM 1394 N ARG B 87 11.368 9.196 8.409 1.00 0.00 N ATOM 1395 CA ARG B 87 12.436 9.991 7.809 1.00 0.00 C ATOM 1396 C ARG B 87 13.794 9.361 8.091 1.00 0.00 C ATOM 1397 O ARG B 87 14.834 9.886 7.691 1.00 0.00 O ATOM 1398 CB ARG B 87 12.412 11.431 8.338 1.00 0.00 C ATOM 1399 CG ARG B 87 11.274 12.286 7.792 1.00 0.00 C ATOM 1400 CD ARG B 87 9.917 11.873 8.347 1.00 0.00 C ATOM 1401 NE ARG B 87 8.830 12.617 7.714 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.537 12.325 7.850 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.149 11.336 8.642 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.632 13.031 7.192 1.00 0.00 N ATOM 0 H ARG B 87 11.000 9.578 9.280 1.00 0.00 H new ATOM 0 HA ARG B 87 12.271 10.013 6.732 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.340 11.404 9.425 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.360 11.911 8.093 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.460 13.332 8.036 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.257 12.211 6.705 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.768 10.805 8.189 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.896 12.042 9.424 1.00 0.00 H new ATOM 0 HE ARG B 87 9.078 13.414 7.128 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.842 10.791 9.154 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.157 11.120 8.740 1.00 0.00 H new ATOM 0 HH21 ARG B 87 6.925 13.795 6.584 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.641 12.811 7.293 1.00 0.00 H new ATOM 1418 N ASP B 88 13.772 8.235 8.785 1.00 0.00 N ATOM 1419 CA ASP B 88 14.990 7.534 9.164 1.00 0.00 C ATOM 1420 C ASP B 88 15.343 6.468 8.124 1.00 0.00 C ATOM 1421 O ASP B 88 16.363 5.784 8.225 1.00 0.00 O ATOM 1422 CB ASP B 88 14.798 6.907 10.548 1.00 0.00 C ATOM 1423 CG ASP B 88 16.051 6.251 11.083 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.031 6.969 11.374 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.067 5.012 11.219 1.00 0.00 O ATOM 0 H ASP B 88 12.914 7.782 9.101 1.00 0.00 H new ATOM 0 HA ASP B 88 15.819 8.241 9.205 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.472 7.677 11.247 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.001 6.165 10.497 1.00 0.00 H new ATOM 1430 N ILE B 89 14.496 6.349 7.110 1.00 0.00 N ATOM 1431 CA ILE B 89 14.699 5.373 6.051 1.00 0.00 C ATOM 1432 C ILE B 89 14.907 6.074 4.714 1.00 0.00 C ATOM 1433 O ILE B 89 14.234 7.061 4.409 1.00 0.00 O ATOM 1434 CB ILE B 89 13.497 4.405 5.940 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.315 3.635 7.252 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.678 3.436 4.776 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.168 2.649 7.219 1.00 0.00 C ATOM 0 H ILE B 89 13.658 6.920 7.000 1.00 0.00 H new ATOM 0 HA ILE B 89 15.589 4.796 6.303 1.00 0.00 H new ATOM 0 HB ILE B 89 12.601 4.996 5.750 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.237 3.100 7.481 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.149 4.346 8.061 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.819 2.768 4.722 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.761 3.997 3.845 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.584 2.850 4.928 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.098 2.140 8.180 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.237 3.180 7.021 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.341 1.915 6.432 1.00 0.00 H new ATOM 1449 N VAL B 90 15.857 5.583 3.934 1.00 0.00 N ATOM 1450 CA VAL B 90 16.073 6.084 2.588 1.00 0.00 C ATOM 1451 C VAL B 90 15.169 5.330 1.628 1.00 0.00 C ATOM 1452 O VAL B 90 15.337 4.129 1.423 1.00 0.00 O ATOM 1453 CB VAL B 90 17.541 5.924 2.141 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.733 6.448 0.725 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.477 6.636 3.106 1.00 0.00 C ATOM 0 H VAL B 90 16.492 4.835 4.212 1.00 0.00 H new ATOM 0 HA VAL B 90 15.839 7.149 2.582 1.00 0.00 H new ATOM 0 HB VAL B 90 17.785 4.862 2.148 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.775 6.326 0.430 1.00 0.00 H new ATOM 0 HG12 VAL B 90 17.094 5.890 0.041 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.467 7.505 0.689 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.507 6.511 2.773 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.231 7.698 3.135 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.364 6.210 4.103 1.00 0.00 H new ATOM 1465 N VAL B 91 14.204 6.021 1.051 1.00 0.00 N ATOM 1466 CA VAL B 91 13.217 5.372 0.214 1.00 0.00 C ATOM 1467 C VAL B 91 13.150 6.014 -1.166 1.00 0.00 C ATOM 1468 O VAL B 91 13.129 7.236 -1.302 1.00 0.00 O ATOM 1469 CB VAL B 91 11.828 5.379 0.890 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.528 6.735 1.496 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.747 4.987 -0.099 1.00 0.00 C ATOM 0 H VAL B 91 14.084 7.029 1.147 1.00 0.00 H new ATOM 0 HA VAL B 91 13.527 4.335 0.084 1.00 0.00 H new ATOM 0 HB VAL B 91 11.841 4.643 1.694 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.545 6.714 1.966 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.283 6.974 2.245 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.540 7.494 0.714 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.777 4.999 0.398 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.738 5.695 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.948 3.985 -0.479 1.00 0.00 H new ATOM 1481 N ASN B 92 13.163 5.169 -2.184 1.00 0.00 N ATOM 1482 CA ASN B 92 13.112 5.608 -3.570 1.00 0.00 C ATOM 1483 C ASN B 92 12.263 4.652 -4.387 1.00 0.00 C ATOM 1484 O ASN B 92 12.022 3.521 -3.969 1.00 0.00 O ATOM 1485 CB ASN B 92 14.514 5.685 -4.166 1.00 0.00 C ATOM 1486 CG ASN B 92 15.538 4.939 -3.343 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.561 3.628 -3.482 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.265 5.535 -2.550 1.00 0.00 N flip ATOM 0 H ASN B 92 13.209 4.156 -2.073 1.00 0.00 H new ATOM 0 HA ASN B 92 12.667 6.603 -3.597 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.498 5.276 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.812 6.730 -4.250 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.214 6.551 -2.476 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.919 5.013 -1.967 1.00 0.00 H new ATOM 1495 N ALA B 93 11.854 5.098 -5.569 1.00 0.00 N ATOM 1496 CA ALA B 93 10.971 4.326 -6.441 1.00 0.00 C ATOM 1497 C ALA B 93 11.609 3.010 -6.873 1.00 0.00 C ATOM 1498 O ALA B 93 10.920 2.073 -7.270 1.00 0.00 O ATOM 1499 CB ALA B 93 10.603 5.154 -7.660 1.00 0.00 C ATOM 0 H ALA B 93 12.124 6.004 -5.951 1.00 0.00 H new ATOM 0 HA ALA B 93 10.071 4.083 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.945 4.575 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.092 6.063 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.508 5.419 -8.206 1.00 0.00 H new ATOM 1505 N ALA B 94 12.926 2.947 -6.775 1.00 0.00 N ATOM 1506 CA ALA B 94 13.672 1.758 -7.174 1.00 0.00 C ATOM 1507 C ALA B 94 13.717 0.733 -6.044 1.00 0.00 C ATOM 1508 O ALA B 94 14.071 -0.428 -6.252 1.00 0.00 O ATOM 1509 CB ALA B 94 15.083 2.145 -7.584 1.00 0.00 C ATOM 0 H ALA B 94 13.506 3.708 -6.421 1.00 0.00 H new ATOM 0 HA ALA B 94 13.162 1.304 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.634 1.252 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA B 94 15.041 2.840 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.589 2.621 -6.744 1.00 0.00 H new ATOM 1515 N ASP B 95 13.345 1.173 -4.853 1.00 0.00 N ATOM 1516 CA ASP B 95 13.421 0.334 -3.659 1.00 0.00 C ATOM 1517 C ASP B 95 12.018 -0.012 -3.171 1.00 0.00 C ATOM 1518 O ASP B 95 11.811 -0.992 -2.460 1.00 0.00 O ATOM 1519 CB ASP B 95 14.201 1.081 -2.576 1.00 0.00 C ATOM 1520 CG ASP B 95 14.576 0.224 -1.387 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.158 -0.864 -1.586 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.333 0.662 -0.247 1.00 0.00 O ATOM 0 H ASP B 95 12.985 2.112 -4.683 1.00 0.00 H new ATOM 0 HA ASP B 95 13.936 -0.598 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP B 95 15.110 1.493 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.604 1.925 -2.229 1.00 0.00 H new ATOM 1527 N ILE B 96 11.060 0.805 -3.583 1.00 0.00 N ATOM 1528 CA ILE B 96 9.660 0.620 -3.232 1.00 0.00 C ATOM 1529 C ILE B 96 9.035 -0.513 -4.039 1.00 0.00 C ATOM 1530 O ILE B 96 8.976 -0.458 -5.270 1.00 0.00 O ATOM 1531 CB ILE B 96 8.883 1.923 -3.492 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.360 3.020 -2.553 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.385 1.709 -3.334 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.926 4.396 -2.991 1.00 0.00 C ATOM 0 H ILE B 96 11.233 1.619 -4.173 1.00 0.00 H new ATOM 0 HA ILE B 96 9.607 0.360 -2.175 1.00 0.00 H new ATOM 0 HB ILE B 96 9.075 2.230 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.978 2.826 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.448 2.990 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.862 2.646 -3.523 1.00 0.00 H new ATOM 0 HG22 ILE B 96 7.048 0.955 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.171 1.372 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.296 5.137 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.331 4.607 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.837 4.440 -3.027 1.00 0.00 H new ATOM 1546 N LYS B 97 8.577 -1.539 -3.340 1.00 0.00 N ATOM 1547 CA LYS B 97 7.954 -2.689 -3.975 1.00 0.00 C ATOM 1548 C LYS B 97 6.470 -2.737 -3.632 1.00 0.00 C ATOM 1549 O LYS B 97 6.098 -3.030 -2.494 1.00 0.00 O ATOM 1550 CB LYS B 97 8.638 -3.978 -3.508 1.00 0.00 C ATOM 1551 CG LYS B 97 10.158 -3.903 -3.509 1.00 0.00 C ATOM 1552 CD LYS B 97 10.715 -3.563 -4.887 1.00 0.00 C ATOM 1553 CE LYS B 97 10.404 -4.652 -5.906 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.970 -4.347 -7.245 1.00 0.00 N ATOM 0 H LYS B 97 8.626 -1.598 -2.323 1.00 0.00 H new ATOM 0 HA LYS B 97 8.065 -2.598 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.296 -4.215 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.324 -4.799 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.484 -3.150 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.568 -4.857 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.294 -2.617 -5.226 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.794 -3.426 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.804 -5.602 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.324 -4.772 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.733 -5.115 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.570 -3.453 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 12.004 -4.259 -7.173 1.00 0.00 H new ATOM 1568 N ILE B 98 5.628 -2.428 -4.606 1.00 0.00 N ATOM 1569 CA ILE B 98 4.188 -2.415 -4.393 1.00 0.00 C ATOM 1570 C ILE B 98 3.503 -3.545 -5.156 1.00 0.00 C ATOM 1571 O ILE B 98 3.607 -3.638 -6.385 1.00 0.00 O ATOM 1572 CB ILE B 98 3.579 -1.065 -4.818 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.250 0.070 -4.048 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.076 -1.052 -4.586 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.689 1.431 -4.376 1.00 0.00 C ATOM 0 H ILE B 98 5.917 -2.183 -5.553 1.00 0.00 H new ATOM 0 HA ILE B 98 4.020 -2.562 -3.326 1.00 0.00 H new ATOM 0 HB ILE B 98 3.755 -0.923 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.140 -0.112 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.318 0.064 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.669 -0.089 -4.893 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.611 -1.846 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.870 -1.212 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.211 2.190 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.823 1.633 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.627 1.455 -4.133 1.00 0.00 H new ATOM 1587 N PHE B 99 2.805 -4.400 -4.420 1.00 0.00 N ATOM 1588 CA PHE B 99 2.098 -5.531 -5.001 1.00 0.00 C ATOM 1589 C PHE B 99 0.680 -5.605 -4.449 1.00 0.00 C ATOM 1590 O PHE B 99 0.477 -5.693 -3.242 1.00 0.00 O ATOM 1591 CB PHE B 99 2.831 -6.840 -4.701 1.00 0.00 C ATOM 1592 CG PHE B 99 4.110 -7.027 -5.470 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.273 -6.379 -5.085 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.146 -7.856 -6.578 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.447 -6.555 -5.794 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.316 -8.036 -7.289 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.468 -7.385 -6.897 1.00 0.00 C ATOM 0 H PHE B 99 2.714 -4.328 -3.407 1.00 0.00 H new ATOM 0 HA PHE B 99 2.059 -5.388 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.053 -6.882 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.164 -7.674 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.262 -5.730 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.248 -8.368 -6.890 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.347 -6.044 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.330 -8.686 -8.151 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.384 -7.525 -7.452 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.298 -5.567 -5.335 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.692 -5.637 -4.926 1.00 0.00 C ATOM 1609 C HIS B 100 -2.259 -7.025 -5.180 1.00 0.00 C ATOM 1610 O HIS B 100 -2.450 -7.431 -6.324 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.531 -4.579 -5.646 1.00 0.00 C ATOM 1612 CG HIS B 100 -4.002 -4.690 -5.365 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.534 -4.735 -4.091 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -5.048 -4.796 -6.209 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -5.847 -4.867 -4.170 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -6.183 -4.906 -5.445 1.00 0.00 N ATOM 0 H HIS B 100 -0.155 -5.488 -6.342 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.735 -5.435 -3.856 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.186 -3.589 -5.349 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.367 -4.665 -6.720 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -5.001 -4.795 -7.288 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.528 -4.932 -3.334 1.00 0.00 H new ATOM 0 HE2 HIS B 100 -7.133 -5.002 -5.805 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.530 -7.741 -4.107 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.132 -9.056 -4.199 1.00 0.00 C ATOM 1627 C ILE B 101 -4.648 -8.945 -4.138 1.00 0.00 C ATOM 1628 O ILE B 101 -5.206 -8.539 -3.121 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.643 -9.979 -3.067 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.133 -10.192 -3.170 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.369 -11.314 -3.112 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.589 -11.129 -2.118 1.00 0.00 C ATOM 0 H ILE B 101 -2.341 -7.431 -3.154 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.832 -9.490 -5.153 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.864 -9.500 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.895 -10.588 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.630 -9.229 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.009 -11.951 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.440 -11.150 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.179 -11.799 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.488 -11.236 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.796 -10.724 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.065 -12.104 -2.218 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.308 -9.292 -5.230 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.763 -9.246 -5.286 1.00 0.00 C ATOM 1646 C ARG B 102 -7.353 -10.493 -4.635 1.00 0.00 C ATOM 1647 O ARG B 102 -8.471 -10.468 -4.124 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.231 -9.113 -6.736 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.638 -7.905 -7.444 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.978 -7.884 -8.924 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.407 -7.703 -9.170 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.927 -6.644 -9.793 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.150 -5.627 -10.153 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.229 -6.596 -10.044 1.00 0.00 N ATOM 0 H ARG B 102 -4.861 -9.609 -6.091 1.00 0.00 H new ATOM 0 HA ARG B 102 -7.113 -8.374 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -6.961 -10.016 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -8.318 -9.041 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -7.008 -6.993 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.555 -7.910 -7.322 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.425 -7.079 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.650 -8.817 -9.382 1.00 0.00 H new ATOM 0 HE ARG B 102 -9.045 -8.430 -8.846 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.150 -5.653 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.554 -4.820 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.832 -7.368 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.627 -5.787 -10.520 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.575 -11.571 -4.641 1.00 0.00 N ATOM 1669 CA LYS B 103 -6.967 -12.830 -4.009 1.00 0.00 C ATOM 1670 C LYS B 103 -7.249 -12.640 -2.518 1.00 0.00 C ATOM 1671 O LYS B 103 -8.217 -13.176 -1.984 1.00 0.00 O ATOM 1672 CB LYS B 103 -5.852 -13.866 -4.201 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.043 -15.146 -3.401 1.00 0.00 C ATOM 1674 CD LYS B 103 -4.839 -16.065 -3.538 1.00 0.00 C ATOM 1675 CE LYS B 103 -4.950 -17.279 -2.628 1.00 0.00 C ATOM 1676 NZ LYS B 103 -6.068 -18.179 -3.020 1.00 0.00 N ATOM 0 H LYS B 103 -5.656 -11.598 -5.083 1.00 0.00 H new ATOM 0 HA LYS B 103 -7.884 -13.181 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.785 -14.119 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -4.900 -13.415 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -6.199 -14.901 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -6.939 -15.663 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -4.748 -16.394 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -3.931 -15.512 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.013 -17.835 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.097 -16.947 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -6.083 -19.008 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -6.970 -17.668 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -5.934 -18.491 -4.003 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.400 -11.869 -1.859 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.519 -11.634 -0.427 1.00 0.00 C ATOM 1692 C GLU B 104 -7.062 -10.227 -0.171 1.00 0.00 C ATOM 1693 O GLU B 104 -7.223 -9.801 0.975 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.146 -11.813 0.232 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.170 -11.800 1.752 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.956 -12.955 2.335 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -5.375 -14.043 2.511 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -7.157 -12.781 2.628 1.00 0.00 O ATOM 0 H GLU B 104 -5.613 -11.390 -2.297 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.215 -12.352 0.006 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.716 -12.757 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.484 -11.020 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.147 -11.836 2.128 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -5.603 -10.861 2.096 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.349 -9.518 -1.264 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.831 -8.135 -1.216 1.00 0.00 C ATOM 1707 C ARG B 105 -6.867 -7.249 -0.430 1.00 0.00 C ATOM 1708 O ARG B 105 -7.277 -6.279 0.203 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.220 -8.059 -0.574 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.243 -9.007 -1.177 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.576 -8.896 -0.456 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.418 -9.005 0.994 1.00 0.00 N ATOM 1713 CZ ARG B 105 -12.419 -8.911 1.867 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -13.667 -8.746 1.445 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -12.164 -8.987 3.165 1.00 0.00 N ATOM 0 H ARG B 105 -7.254 -9.887 -2.210 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.892 -7.777 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.127 -8.274 0.491 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.592 -7.038 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.377 -8.779 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -9.876 -10.032 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -12.043 -7.942 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -12.247 -9.679 -0.809 1.00 0.00 H new ATOM 0 HE ARG B 105 -10.479 -9.163 1.360 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -13.864 -8.690 0.446 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -14.428 -8.675 2.120 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -11.206 -9.117 3.490 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -12.926 -8.916 3.839 1.00 0.00 H new ATOM 1729 N THR B 106 -5.583 -7.576 -0.482 1.00 0.00 N ATOM 1730 CA THR B 106 -4.606 -6.897 0.340 1.00 0.00 C ATOM 1731 C THR B 106 -3.503 -6.291 -0.515 1.00 0.00 C ATOM 1732 O THR B 106 -3.069 -6.883 -1.504 1.00 0.00 O ATOM 1733 CB THR B 106 -4.003 -7.863 1.379 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.052 -8.483 2.134 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.064 -7.135 2.325 1.00 0.00 C ATOM 0 H THR B 106 -5.200 -8.305 -1.084 1.00 0.00 H new ATOM 0 HA THR B 106 -5.115 -6.090 0.867 1.00 0.00 H new ATOM 0 HB THR B 106 -3.434 -8.622 0.843 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.721 -8.853 1.521 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.654 -7.842 3.046 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.251 -6.685 1.756 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.612 -6.355 2.853 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.079 -5.097 -0.152 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.013 -4.418 -0.864 1.00 0.00 C ATOM 1745 C LEU B 107 -0.737 -4.442 -0.029 1.00 0.00 C ATOM 1746 O LEU B 107 -0.718 -3.963 1.106 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.424 -2.978 -1.183 1.00 0.00 C ATOM 1748 CG LEU B 107 -2.068 -2.490 -2.589 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.609 -1.094 -2.819 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.568 -2.511 -2.812 1.00 0.00 C ATOM 0 H LEU B 107 -3.459 -4.574 0.637 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.824 -4.936 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.502 -2.887 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -1.954 -2.315 -0.457 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.529 -3.170 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -2.346 -0.763 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.694 -1.102 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -2.177 -0.411 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.345 -2.159 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -0.083 -1.860 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.197 -3.529 -2.693 1.00 0.00 H new ATOM 1762 N TYR B 108 0.312 -5.018 -0.592 1.00 0.00 N ATOM 1763 CA TYR B 108 1.577 -5.178 0.110 1.00 0.00 C ATOM 1764 C TYR B 108 2.578 -4.115 -0.310 1.00 0.00 C ATOM 1765 O TYR B 108 2.843 -3.926 -1.501 1.00 0.00 O ATOM 1766 CB TYR B 108 2.160 -6.567 -0.161 1.00 0.00 C ATOM 1767 CG TYR B 108 1.306 -7.697 0.362 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.049 -7.940 -0.169 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.754 -8.516 1.388 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.739 -8.961 0.306 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.970 -9.545 1.869 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.277 -9.762 1.325 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.067 -10.782 1.800 1.00 0.00 O ATOM 0 H TYR B 108 0.313 -5.386 -1.543 1.00 0.00 H new ATOM 0 HA TYR B 108 1.382 -5.066 1.177 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.294 -6.692 -1.236 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.149 -6.631 0.293 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.318 -7.316 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.731 -8.346 1.817 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.717 -9.134 -0.119 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.332 -10.176 2.667 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.641 -11.114 1.079 1.00 0.00 H new ATOM 1783 N ILE B 109 3.116 -3.416 0.676 1.00 0.00 N ATOM 1784 CA ILE B 109 4.148 -2.417 0.446 1.00 0.00 C ATOM 1785 C ILE B 109 5.442 -2.848 1.126 1.00 0.00 C ATOM 1786 O ILE B 109 5.482 -3.003 2.349 1.00 0.00 O ATOM 1787 CB ILE B 109 3.734 -1.039 1.007 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.349 -0.631 0.492 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.768 0.025 0.657 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.259 -0.512 -1.014 1.00 0.00 C ATOM 0 H ILE B 109 2.851 -3.524 1.655 1.00 0.00 H new ATOM 0 HA ILE B 109 4.291 -2.331 -0.631 1.00 0.00 H new ATOM 0 HB ILE B 109 3.684 -1.123 2.093 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.617 -1.363 0.832 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.075 0.325 0.938 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.453 0.986 1.063 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.732 -0.251 1.083 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.859 0.102 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.247 -0.220 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.965 0.242 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.500 -1.472 -1.470 1.00 0.00 H new ATOM 1802 N TYR B 110 6.484 -3.060 0.341 1.00 0.00 N ATOM 1803 CA TYR B 110 7.785 -3.402 0.888 1.00 0.00 C ATOM 1804 C TYR B 110 8.794 -2.335 0.497 1.00 0.00 C ATOM 1805 O TYR B 110 8.974 -2.048 -0.686 1.00 0.00 O ATOM 1806 CB TYR B 110 8.265 -4.762 0.375 1.00 0.00 C ATOM 1807 CG TYR B 110 7.363 -5.932 0.712 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.305 -6.282 -0.118 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.586 -6.703 1.847 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.495 -7.362 0.175 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.783 -7.786 2.143 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.740 -8.112 1.306 1.00 0.00 C ATOM 1813 OH TYR B 110 4.943 -9.194 1.597 1.00 0.00 O ATOM 0 H TYR B 110 6.454 -3.001 -0.677 1.00 0.00 H new ATOM 0 HA TYR B 110 7.694 -3.457 1.973 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.373 -4.707 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.256 -4.958 0.784 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.113 -5.700 -1.007 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.401 -6.450 2.509 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.674 -7.618 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.972 -8.375 3.028 1.00 0.00 H new ATOM 0 HH TYR B 110 5.211 -9.575 2.459 1.00 0.00 H new ATOM 1823 N ILE B 111 9.432 -1.737 1.484 1.00 0.00 N ATOM 1824 CA ILE B 111 10.429 -0.709 1.234 1.00 0.00 C ATOM 1825 C ILE B 111 11.687 -1.007 2.032 1.00 0.00 C ATOM 1826 O ILE B 111 11.734 -0.661 3.227 1.00 0.00 O ATOM 1827 CB ILE B 111 9.907 0.700 1.594 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.631 1.010 0.804 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.976 1.751 1.313 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.001 2.339 1.154 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.614 -1.625 1.473 1.00 0.00 O ATOM 0 H ILE B 111 9.278 -1.945 2.471 1.00 0.00 H new ATOM 0 HA ILE B 111 10.653 -0.719 0.167 1.00 0.00 H new ATOM 0 HB ILE B 111 9.672 0.723 2.658 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.863 0.998 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.904 0.217 0.981 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.593 2.738 1.572 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.862 1.538 1.911 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.238 1.730 0.255 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.103 2.486 0.553 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.736 2.349 2.211 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.709 3.142 0.950 1.00 0.00 H new