USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot -170:sc= -0.386 USER MOD Set 1.2: A 79 GLN : amide:sc= -2.54 X(o=-3.3,f=-3.2!) USER MOD Set 1.3: A 94 LYS NZ :NH3+ 172:sc= -0.371 (180deg=0) USER MOD Set 2.1: A 41 TYR OH : rot 85:sc= 0.412 USER MOD Set 2.2: A 63 ASN : amide:sc= -2.59! C(o=-2.2!,f=-3.2!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.163 USER MOD Single : A 10 THR OG1 : rot 118:sc= 0.27 USER MOD Single : A 14 MET CE :methyl 173:sc= -0.138 (180deg=-0.243) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -2.97! C(o=-4.8!,f=-3!) USER MOD Single : A 18 SER OG : rot 3:sc= 0.361 USER MOD Single : A 20 THR OG1 : rot 143:sc= -2.06! USER MOD Single : A 21 MET CE :methyl 165:sc= -2.44 (180deg=-3.11!) USER MOD Single : A 23 SER OG : rot 84:sc= 0.343! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -10:sc= 1.01 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 35 ASN : amide:sc= -0.74! X(o=-0.74!,f=-0.39) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.405 X(o=-0.41,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.4!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 SER OG : rot -23:sc= -2.48 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -120:sc= -0.938 (180deg=-3.09) USER MOD Single : A 60 SER OG : rot -110:sc= -0.275 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 62 THR OG1 : rot 170:sc= -1.06! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.268 (180deg=-1.18!) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0291 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0113) USER MOD Single : A 92 SER OG : rot 158:sc= -0.863 USER MOD Single : A 95 MET CE :methyl -111:sc= -2.15 (180deg=-5.5!) USER MOD Single : A 96 CYS SG : rot 34:sc= 0.086 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -142:sc= 0.728 USER MOD Single : A 101 THR OG1 : rot 32:sc= 0.804 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.920 -17.478 -4.615 1.00 0.00 N ATOM 60 CA GLY A 7 -1.045 -16.616 -5.387 1.00 0.00 C ATOM 61 C GLY A 7 0.316 -16.443 -4.742 1.00 0.00 C ATOM 62 O GLY A 7 0.753 -17.265 -3.936 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.920 -17.032 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.514 -15.639 -5.505 1.00 0.00 H new ATOM 66 N PRO A 8 1.010 -15.353 -5.100 1.00 0.00 N ATOM 67 CA PRO A 8 2.340 -15.051 -4.563 1.00 0.00 C ATOM 68 C PRO A 8 2.295 -14.659 -3.090 1.00 0.00 C ATOM 69 O PRO A 8 1.255 -14.245 -2.579 1.00 0.00 O ATOM 70 CB PRO A 8 2.807 -13.869 -5.417 1.00 0.00 C ATOM 71 CG PRO A 8 1.550 -13.221 -5.886 1.00 0.00 C ATOM 72 CD PRO A 8 0.551 -14.331 -6.056 1.00 0.00 C ATOM 0 HA PRO A 8 3.003 -15.915 -4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.416 -13.177 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.417 -14.203 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.197 -12.485 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.710 -12.693 -6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.462 -13.997 -5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.543 -14.711 -7.078 1.00 0.00 H new ATOM 80 N SER A 9 3.431 -14.793 -2.412 1.00 0.00 N ATOM 81 CA SER A 9 3.520 -14.455 -0.996 1.00 0.00 C ATOM 82 C SER A 9 3.104 -13.007 -0.755 1.00 0.00 C ATOM 83 O SER A 9 2.911 -12.239 -1.698 1.00 0.00 O ATOM 84 CB SER A 9 4.944 -14.681 -0.485 1.00 0.00 C ATOM 85 OG SER A 9 5.023 -14.475 0.915 1.00 0.00 O ATOM 0 H SER A 9 4.302 -15.133 -2.820 1.00 0.00 H new ATOM 0 HA SER A 9 2.838 -15.106 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.263 -15.695 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.628 -14.003 -0.995 1.00 0.00 H new ATOM 0 HG SER A 9 5.943 -14.627 1.217 1.00 0.00 H new ATOM 91 N THR A 10 2.969 -12.641 0.516 1.00 0.00 N ATOM 92 CA THR A 10 2.575 -11.286 0.882 1.00 0.00 C ATOM 93 C THR A 10 3.378 -10.785 2.078 1.00 0.00 C ATOM 94 O THR A 10 3.589 -11.515 3.047 1.00 0.00 O ATOM 95 CB THR A 10 1.074 -11.209 1.217 1.00 0.00 C ATOM 96 OG1 THR A 10 0.660 -9.840 1.298 1.00 0.00 O ATOM 97 CG2 THR A 10 0.776 -11.913 2.533 1.00 0.00 C ATOM 0 H THR A 10 3.127 -13.263 1.309 1.00 0.00 H new ATOM 0 HA THR A 10 2.780 -10.652 0.019 1.00 0.00 H new ATOM 0 HB THR A 10 0.521 -11.709 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.016 -9.662 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.290 -11.845 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.065 -12.961 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.339 -11.437 3.336 1.00 0.00 H new ATOM 105 N VAL A 11 3.822 -9.535 2.004 1.00 0.00 N ATOM 106 CA VAL A 11 4.601 -8.935 3.081 1.00 0.00 C ATOM 107 C VAL A 11 3.899 -9.102 4.425 1.00 0.00 C ATOM 108 O VAL A 11 2.711 -8.814 4.573 1.00 0.00 O ATOM 109 CB VAL A 11 4.849 -7.437 2.827 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.621 -6.820 3.984 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.590 -7.235 1.514 1.00 0.00 C ATOM 0 H VAL A 11 3.656 -8.917 1.209 1.00 0.00 H new ATOM 0 HA VAL A 11 5.559 -9.455 3.107 1.00 0.00 H new ATOM 0 HB VAL A 11 3.885 -6.934 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.787 -5.761 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.048 -6.932 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.582 -7.324 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.757 -6.170 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.549 -7.751 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.995 -7.639 0.695 1.00 0.00 H new ATOM 121 N PRO A 12 4.649 -9.578 5.429 1.00 0.00 N ATOM 122 CA PRO A 12 4.120 -9.794 6.779 1.00 0.00 C ATOM 123 C PRO A 12 3.815 -8.484 7.498 1.00 0.00 C ATOM 124 O PRO A 12 2.787 -8.355 8.163 1.00 0.00 O ATOM 125 CB PRO A 12 5.252 -10.542 7.488 1.00 0.00 C ATOM 126 CG PRO A 12 6.487 -10.144 6.756 1.00 0.00 C ATOM 127 CD PRO A 12 6.072 -9.943 5.324 1.00 0.00 C ATOM 0 HA PRO A 12 3.175 -10.337 6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.310 -10.266 8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.099 -11.621 7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.910 -9.230 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.254 -10.915 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.654 -9.157 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.212 -10.849 4.734 1.00 0.00 H new ATOM 135 N ILE A 13 4.714 -7.515 7.359 1.00 0.00 N ATOM 136 CA ILE A 13 4.539 -6.215 7.995 1.00 0.00 C ATOM 137 C ILE A 13 5.082 -5.095 7.114 1.00 0.00 C ATOM 138 O ILE A 13 5.884 -5.335 6.211 1.00 0.00 O ATOM 139 CB ILE A 13 5.239 -6.159 9.365 1.00 0.00 C ATOM 140 CG1 ILE A 13 4.821 -4.899 10.125 1.00 0.00 C ATOM 141 CG2 ILE A 13 6.750 -6.203 9.191 1.00 0.00 C ATOM 142 CD1 ILE A 13 4.833 -5.067 11.628 1.00 0.00 C ATOM 0 H ILE A 13 5.570 -7.606 6.812 1.00 0.00 H new ATOM 0 HA ILE A 13 3.467 -6.076 8.138 1.00 0.00 H new ATOM 0 HB ILE A 13 4.935 -7.029 9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.490 -4.082 9.854 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.819 -4.609 9.808 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.230 -6.163 10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.031 -7.127 8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.072 -5.351 8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.526 -4.134 12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.143 -5.862 11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.839 -5.327 11.957 1.00 0.00 H new ATOM 154 N MET A 14 4.641 -3.871 7.383 1.00 0.00 N ATOM 155 CA MET A 14 5.086 -2.713 6.616 1.00 0.00 C ATOM 156 C MET A 14 5.858 -1.739 7.501 1.00 0.00 C ATOM 157 O MET A 14 5.480 -1.491 8.646 1.00 0.00 O ATOM 158 CB MET A 14 3.888 -2.003 5.983 1.00 0.00 C ATOM 159 CG MET A 14 3.340 -2.714 4.755 1.00 0.00 C ATOM 160 SD MET A 14 1.800 -1.988 4.161 1.00 0.00 S ATOM 161 CE MET A 14 2.425 -0.752 3.025 1.00 0.00 C ATOM 0 H MET A 14 3.976 -3.655 8.126 1.00 0.00 H new ATOM 0 HA MET A 14 5.750 -3.065 5.827 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.095 -1.914 6.725 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.181 -0.990 5.706 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.084 -2.681 3.959 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.174 -3.765 4.992 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.593 -0.302 2.483 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.955 0.020 3.583 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.108 -1.221 2.317 1.00 0.00 H new ATOM 171 N HIS A 15 6.942 -1.190 6.962 1.00 0.00 N ATOM 172 CA HIS A 15 7.768 -0.243 7.703 1.00 0.00 C ATOM 173 C HIS A 15 7.755 1.128 7.034 1.00 0.00 C ATOM 174 O HIS A 15 8.064 1.254 5.850 1.00 0.00 O ATOM 175 CB HIS A 15 9.204 -0.758 7.809 1.00 0.00 C ATOM 176 CG HIS A 15 9.338 -1.989 8.652 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.182 -1.982 10.022 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.613 -3.270 8.312 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.358 -3.205 10.489 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.620 -4.006 9.472 1.00 0.00 N ATOM 0 H HIS A 15 7.269 -1.384 6.016 1.00 0.00 H new ATOM 0 HA HIS A 15 7.352 -0.143 8.705 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.580 -0.970 6.808 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.833 0.028 8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.793 -3.644 7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.298 -3.500 11.526 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.799 -5.008 9.537 1.00 0.00 H new ATOM 189 N GLN A 16 7.395 2.152 7.802 1.00 0.00 N ATOM 190 CA GLN A 16 7.341 3.514 7.282 1.00 0.00 C ATOM 191 C GLN A 16 8.707 4.186 7.374 1.00 0.00 C ATOM 192 O GLN A 16 9.402 4.067 8.382 1.00 0.00 O ATOM 193 CB GLN A 16 6.303 4.334 8.049 1.00 0.00 C ATOM 194 CG GLN A 16 6.591 5.827 8.056 1.00 0.00 C ATOM 195 CD GLN A 16 5.330 6.664 8.137 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.109 7.501 7.129 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.563 6.561 9.094 1.00 0.00 N flip ATOM 0 H GLN A 16 7.137 2.065 8.785 1.00 0.00 H new ATOM 0 HA GLN A 16 7.051 3.465 6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.320 4.164 7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.258 3.976 9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.235 6.065 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.141 6.091 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.772 5.905 9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.719 7.132 9.134 1.00 0.00 H new ATOM 206 N VAL A 17 9.085 4.893 6.313 1.00 0.00 N ATOM 207 CA VAL A 17 10.368 5.586 6.275 1.00 0.00 C ATOM 208 C VAL A 17 10.190 7.084 6.491 1.00 0.00 C ATOM 209 O VAL A 17 10.942 7.707 7.240 1.00 0.00 O ATOM 210 CB VAL A 17 11.091 5.354 4.934 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.460 6.016 4.944 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.211 3.865 4.645 1.00 0.00 C ATOM 0 H VAL A 17 8.522 5.001 5.469 1.00 0.00 H new ATOM 0 HA VAL A 17 10.974 5.175 7.082 1.00 0.00 H new ATOM 0 HB VAL A 17 10.500 5.809 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.956 5.841 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.345 7.088 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.063 5.593 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.724 3.719 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.779 3.384 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.216 3.423 4.592 1.00 0.00 H new ATOM 222 N SER A 18 9.189 7.657 5.830 1.00 0.00 N ATOM 223 CA SER A 18 8.914 9.084 5.948 1.00 0.00 C ATOM 224 C SER A 18 7.464 9.390 5.583 1.00 0.00 C ATOM 225 O SER A 18 6.756 8.539 5.046 1.00 0.00 O ATOM 226 CB SER A 18 9.858 9.883 5.047 1.00 0.00 C ATOM 227 OG SER A 18 11.204 9.745 5.468 1.00 0.00 O ATOM 0 H SER A 18 8.556 7.155 5.208 1.00 0.00 H new ATOM 0 HA SER A 18 9.079 9.376 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.759 9.541 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.575 10.936 5.062 1.00 0.00 H new ATOM 0 HG SER A 18 11.247 9.129 6.229 1.00 0.00 H new ATOM 233 N ALA A 19 7.031 10.611 5.878 1.00 0.00 N ATOM 234 CA ALA A 19 5.667 11.031 5.580 1.00 0.00 C ATOM 235 C ALA A 19 5.568 12.550 5.487 1.00 0.00 C ATOM 236 O ALA A 19 6.483 13.268 5.891 1.00 0.00 O ATOM 237 CB ALA A 19 4.709 10.501 6.636 1.00 0.00 C ATOM 0 H ALA A 19 7.605 11.327 6.323 1.00 0.00 H new ATOM 0 HA ALA A 19 5.389 10.615 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.694 10.822 6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.750 9.412 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.995 10.889 7.614 1.00 0.00 H new ATOM 243 N THR A 20 4.452 13.034 4.953 1.00 0.00 N ATOM 244 CA THR A 20 4.234 14.467 4.805 1.00 0.00 C ATOM 245 C THR A 20 2.854 14.869 5.313 1.00 0.00 C ATOM 246 O THR A 20 2.120 14.046 5.859 1.00 0.00 O ATOM 247 CB THR A 20 4.377 14.909 3.337 1.00 0.00 C ATOM 248 OG1 THR A 20 3.224 14.504 2.589 1.00 0.00 O ATOM 249 CG2 THR A 20 5.629 14.313 2.711 1.00 0.00 C ATOM 0 H THR A 20 3.684 12.454 4.615 1.00 0.00 H new ATOM 0 HA THR A 20 4.997 14.965 5.402 1.00 0.00 H new ATOM 0 HB THR A 20 4.461 15.995 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.001 15.196 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.708 14.640 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.507 14.647 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.570 13.225 2.745 1.00 0.00 H new ATOM 257 N MET A 21 2.506 16.138 5.128 1.00 0.00 N ATOM 258 CA MET A 21 1.212 16.648 5.567 1.00 0.00 C ATOM 259 C MET A 21 0.140 16.385 4.514 1.00 0.00 C ATOM 260 O MET A 21 -1.055 16.461 4.800 1.00 0.00 O ATOM 261 CB MET A 21 1.302 18.147 5.857 1.00 0.00 C ATOM 262 CG MET A 21 1.927 18.469 7.205 1.00 0.00 C ATOM 263 SD MET A 21 1.566 20.148 7.754 1.00 0.00 S ATOM 264 CE MET A 21 -0.225 20.132 7.737 1.00 0.00 C ATOM 0 H MET A 21 3.102 16.832 4.677 1.00 0.00 H new ATOM 0 HA MET A 21 0.934 16.125 6.482 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.886 18.626 5.071 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.301 18.577 5.818 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.562 17.761 7.949 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.007 18.336 7.142 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.602 20.989 8.296 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.580 20.186 6.708 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.585 19.212 8.197 1.00 0.00 H new ATOM 274 N ARG A 22 0.575 16.076 3.297 1.00 0.00 N ATOM 275 CA ARG A 22 -0.349 15.804 2.202 1.00 0.00 C ATOM 276 C ARG A 22 -0.020 14.473 1.532 1.00 0.00 C ATOM 277 O ARG A 22 -0.574 14.141 0.484 1.00 0.00 O ATOM 278 CB ARG A 22 -0.297 16.933 1.171 1.00 0.00 C ATOM 279 CG ARG A 22 -0.622 18.301 1.748 1.00 0.00 C ATOM 280 CD ARG A 22 -0.105 19.419 0.856 1.00 0.00 C ATOM 281 NE ARG A 22 1.328 19.639 1.029 1.00 0.00 N ATOM 282 CZ ARG A 22 1.871 20.097 2.151 1.00 0.00 C ATOM 283 NH1 ARG A 22 1.104 20.382 3.195 1.00 0.00 N ATOM 284 NH2 ARG A 22 3.184 20.271 2.231 1.00 0.00 N ATOM 0 H ARG A 22 1.561 16.008 3.044 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.356 15.744 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.698 16.962 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.998 16.711 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.701 18.399 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.181 18.393 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.311 19.176 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.643 20.340 1.081 1.00 0.00 H new ATOM 0 HE ARG A 22 1.946 19.429 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.094 20.249 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.524 20.734 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.777 20.053 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.600 20.623 3.093 1.00 0.00 H new ATOM 298 N SER A 23 0.885 13.716 2.144 1.00 0.00 N ATOM 299 CA SER A 23 1.291 12.423 1.604 1.00 0.00 C ATOM 300 C SER A 23 1.930 11.560 2.687 1.00 0.00 C ATOM 301 O SER A 23 2.147 12.014 3.811 1.00 0.00 O ATOM 302 CB SER A 23 2.270 12.616 0.445 1.00 0.00 C ATOM 303 OG SER A 23 3.174 11.528 0.355 1.00 0.00 O ATOM 0 H SER A 23 1.351 13.975 3.014 1.00 0.00 H new ATOM 0 HA SER A 23 0.400 11.914 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.718 12.712 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.825 13.544 0.584 1.00 0.00 H new ATOM 0 HG SER A 23 2.761 10.801 -0.156 1.00 0.00 H new ATOM 309 N ILE A 24 2.229 10.312 2.340 1.00 0.00 N ATOM 310 CA ILE A 24 2.845 9.385 3.281 1.00 0.00 C ATOM 311 C ILE A 24 3.733 8.378 2.559 1.00 0.00 C ATOM 312 O ILE A 24 3.307 7.732 1.601 1.00 0.00 O ATOM 313 CB ILE A 24 1.783 8.624 4.097 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.848 9.608 4.802 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.451 7.703 5.107 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.235 8.935 5.617 1.00 0.00 C ATOM 0 H ILE A 24 2.055 9.920 1.415 1.00 0.00 H new ATOM 0 HA ILE A 24 3.455 9.982 3.960 1.00 0.00 H new ATOM 0 HB ILE A 24 1.190 8.014 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.437 10.251 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.383 10.252 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.688 7.172 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.079 6.983 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.065 8.293 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.860 9.693 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.848 8.314 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.222 8.312 6.386 1.00 0.00 H new ATOM 328 N THR A 25 4.971 8.247 3.026 1.00 0.00 N ATOM 329 CA THR A 25 5.920 7.318 2.426 1.00 0.00 C ATOM 330 C THR A 25 6.072 6.062 3.276 1.00 0.00 C ATOM 331 O THR A 25 6.040 6.124 4.506 1.00 0.00 O ATOM 332 CB THR A 25 7.303 7.969 2.240 1.00 0.00 C ATOM 333 OG1 THR A 25 7.152 9.350 1.890 1.00 0.00 O ATOM 334 CG2 THR A 25 8.100 7.251 1.161 1.00 0.00 C ATOM 0 H THR A 25 5.340 8.773 3.818 1.00 0.00 H new ATOM 0 HA THR A 25 5.521 7.046 1.449 1.00 0.00 H new ATOM 0 HB THR A 25 7.846 7.891 3.182 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.036 9.757 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.073 7.729 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.239 6.208 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.560 7.301 0.216 1.00 0.00 H new ATOM 342 N LEU A 26 6.239 4.922 2.614 1.00 0.00 N ATOM 343 CA LEU A 26 6.397 3.649 3.310 1.00 0.00 C ATOM 344 C LEU A 26 7.361 2.735 2.560 1.00 0.00 C ATOM 345 O LEU A 26 7.801 3.053 1.455 1.00 0.00 O ATOM 346 CB LEU A 26 5.041 2.960 3.469 1.00 0.00 C ATOM 347 CG LEU A 26 3.829 3.884 3.588 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.568 3.172 3.122 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.669 4.374 5.020 1.00 0.00 C ATOM 0 H LEU A 26 6.269 4.853 1.597 1.00 0.00 H new ATOM 0 HA LEU A 26 6.812 3.852 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.888 2.301 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.079 2.327 4.356 1.00 0.00 H new ATOM 0 HG LEU A 26 3.992 4.750 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.715 3.845 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.683 2.872 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.401 2.288 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.801 5.030 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.529 3.520 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.562 4.923 5.319 1.00 0.00 H new ATOM 361 N SER A 27 7.681 1.597 3.166 1.00 0.00 N ATOM 362 CA SER A 27 8.593 0.636 2.556 1.00 0.00 C ATOM 363 C SER A 27 8.437 -0.741 3.193 1.00 0.00 C ATOM 364 O SER A 27 8.516 -0.886 4.413 1.00 0.00 O ATOM 365 CB SER A 27 10.040 1.114 2.697 1.00 0.00 C ATOM 366 OG SER A 27 10.257 2.306 1.961 1.00 0.00 O ATOM 0 H SER A 27 7.323 1.317 4.079 1.00 0.00 H new ATOM 0 HA SER A 27 8.344 0.558 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.269 1.285 3.749 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.719 0.337 2.346 1.00 0.00 H new ATOM 0 HG SER A 27 9.479 2.485 1.392 1.00 0.00 H new ATOM 372 N TRP A 28 8.215 -1.750 2.359 1.00 0.00 N ATOM 373 CA TRP A 28 8.048 -3.117 2.839 1.00 0.00 C ATOM 374 C TRP A 28 9.118 -4.034 2.257 1.00 0.00 C ATOM 375 O TRP A 28 9.577 -3.854 1.129 1.00 0.00 O ATOM 376 CB TRP A 28 6.657 -3.641 2.476 1.00 0.00 C ATOM 377 CG TRP A 28 6.303 -3.434 1.034 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.364 -4.362 0.034 1.00 0.00 C ATOM 379 CD2 TRP A 28 5.836 -2.222 0.432 1.00 0.00 C ATOM 380 NE1 TRP A 28 5.962 -3.800 -1.154 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.632 -2.488 -0.937 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.568 -0.939 0.915 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.175 -1.518 -1.824 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.114 0.024 0.033 1.00 0.00 C ATOM 385 CH2 TRP A 28 4.920 -0.270 -1.323 1.00 0.00 C ATOM 0 H TRP A 28 8.146 -1.647 1.346 1.00 0.00 H new ATOM 0 HA TRP A 28 8.154 -3.109 3.924 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.606 -4.705 2.706 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.915 -3.144 3.100 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.681 -5.387 0.158 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.917 -4.282 -2.052 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.713 -0.703 1.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.027 -1.742 -2.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.905 1.020 0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.562 0.504 -1.986 1.00 0.00 H new ATOM 396 N PRO A 29 9.527 -5.041 3.043 1.00 0.00 N ATOM 397 CA PRO A 29 10.547 -6.007 2.625 1.00 0.00 C ATOM 398 C PRO A 29 10.050 -6.937 1.524 1.00 0.00 C ATOM 399 O PRO A 29 8.856 -7.225 1.435 1.00 0.00 O ATOM 400 CB PRO A 29 10.833 -6.798 3.904 1.00 0.00 C ATOM 401 CG PRO A 29 9.586 -6.675 4.711 1.00 0.00 C ATOM 402 CD PRO A 29 9.023 -5.316 4.399 1.00 0.00 C ATOM 0 HA PRO A 29 11.425 -5.515 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.060 -7.841 3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.692 -6.391 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.875 -7.460 4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.799 -6.774 5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.933 -5.316 4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.363 -4.566 5.114 1.00 0.00 H new ATOM 410 N GLN A 30 10.971 -7.404 0.688 1.00 0.00 N ATOM 411 CA GLN A 30 10.625 -8.301 -0.408 1.00 0.00 C ATOM 412 C GLN A 30 10.448 -9.730 0.095 1.00 0.00 C ATOM 413 O GLN A 30 11.252 -10.245 0.872 1.00 0.00 O ATOM 414 CB GLN A 30 11.704 -8.259 -1.491 1.00 0.00 C ATOM 415 CG GLN A 30 11.251 -8.835 -2.823 1.00 0.00 C ATOM 416 CD GLN A 30 12.344 -8.805 -3.873 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.011 -7.787 -4.063 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.535 -9.924 -4.562 1.00 0.00 N ATOM 0 H GLN A 30 11.963 -7.176 0.749 1.00 0.00 H new ATOM 0 HA GLN A 30 9.680 -7.965 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.018 -7.226 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.577 -8.811 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.921 -9.864 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.390 -8.272 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.960 -10.744 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.257 -9.963 -5.281 1.00 0.00 H new ATOM 427 N PRO A 31 9.369 -10.388 -0.357 1.00 0.00 N ATOM 428 CA PRO A 31 9.062 -11.767 0.034 1.00 0.00 C ATOM 429 C PRO A 31 10.044 -12.770 -0.560 1.00 0.00 C ATOM 430 O PRO A 31 10.921 -12.405 -1.342 1.00 0.00 O ATOM 431 CB PRO A 31 7.658 -11.991 -0.534 1.00 0.00 C ATOM 432 CG PRO A 31 7.554 -11.038 -1.675 1.00 0.00 C ATOM 433 CD PRO A 31 8.368 -9.836 -1.285 1.00 0.00 C ATOM 0 HA PRO A 31 9.128 -11.910 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.525 -13.021 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.892 -11.796 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.934 -11.486 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.516 -10.763 -1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.837 -9.370 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.754 -9.073 -0.806 1.00 0.00 H new ATOM 441 N GLU A 32 9.890 -14.036 -0.184 1.00 0.00 N ATOM 442 CA GLU A 32 10.764 -15.092 -0.680 1.00 0.00 C ATOM 443 C GLU A 32 9.963 -16.159 -1.421 1.00 0.00 C ATOM 444 O GLU A 32 10.528 -16.997 -2.122 1.00 0.00 O ATOM 445 CB GLU A 32 11.538 -15.729 0.476 1.00 0.00 C ATOM 446 CG GLU A 32 12.603 -14.822 1.069 1.00 0.00 C ATOM 447 CD GLU A 32 13.949 -14.980 0.389 1.00 0.00 C ATOM 448 OE1 GLU A 32 14.509 -16.095 0.437 1.00 0.00 O ATOM 449 OE2 GLU A 32 14.441 -13.990 -0.189 1.00 0.00 O ATOM 0 H GLU A 32 9.168 -14.355 0.462 1.00 0.00 H new ATOM 0 HA GLU A 32 11.472 -14.645 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.836 -16.011 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.009 -16.647 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.278 -13.785 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.709 -15.039 2.132 1.00 0.00 H new ATOM 456 N GLN A 33 8.645 -16.121 -1.257 1.00 0.00 N ATOM 457 CA GLN A 33 7.766 -17.085 -1.908 1.00 0.00 C ATOM 458 C GLN A 33 6.808 -16.387 -2.867 1.00 0.00 C ATOM 459 O GLN A 33 5.602 -16.635 -2.869 1.00 0.00 O ATOM 460 CB GLN A 33 6.976 -17.874 -0.863 1.00 0.00 C ATOM 461 CG GLN A 33 7.829 -18.841 -0.058 1.00 0.00 C ATOM 462 CD GLN A 33 6.999 -19.835 0.730 1.00 0.00 C ATOM 463 OE1 GLN A 33 5.911 -19.512 1.208 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.508 -21.054 0.868 1.00 0.00 N ATOM 0 H GLN A 33 8.162 -15.433 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 33 8.386 -17.775 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.492 -17.175 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.184 -18.431 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.493 -19.382 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.461 -18.277 0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.413 -21.278 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.994 -21.766 1.387 1.00 0.00 H new ATOM 473 N PRO A 34 7.354 -15.492 -3.704 1.00 0.00 N ATOM 474 CA PRO A 34 6.565 -14.740 -4.684 1.00 0.00 C ATOM 475 C PRO A 34 6.047 -15.624 -5.812 1.00 0.00 C ATOM 476 O PRO A 34 5.360 -15.152 -6.717 1.00 0.00 O ATOM 477 CB PRO A 34 7.560 -13.710 -5.225 1.00 0.00 C ATOM 478 CG PRO A 34 8.898 -14.330 -5.016 1.00 0.00 C ATOM 479 CD PRO A 34 8.785 -15.146 -3.758 1.00 0.00 C ATOM 0 HA PRO A 34 5.674 -14.299 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.380 -13.502 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.476 -12.762 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.174 -14.957 -5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.670 -13.567 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.413 -16.036 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.095 -14.578 -2.881 1.00 0.00 H new ATOM 487 N ASN A 35 6.380 -16.909 -5.752 1.00 0.00 N ATOM 488 CA ASN A 35 5.947 -17.860 -6.770 1.00 0.00 C ATOM 489 C ASN A 35 6.319 -17.369 -8.166 1.00 0.00 C ATOM 490 O ASN A 35 5.611 -17.633 -9.137 1.00 0.00 O ATOM 491 CB ASN A 35 4.436 -18.082 -6.680 1.00 0.00 C ATOM 492 CG ASN A 35 4.046 -18.930 -5.485 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.322 -19.916 -5.619 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.527 -18.549 -4.307 1.00 0.00 N ATOM 0 H ASN A 35 6.948 -17.316 -5.009 1.00 0.00 H new ATOM 0 HA ASN A 35 6.457 -18.806 -6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.933 -17.117 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.087 -18.564 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.299 -19.081 -3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.124 -17.724 -4.242 1.00 0.00 H new ATOM 501 N GLY A 36 7.435 -16.652 -8.258 1.00 0.00 N ATOM 502 CA GLY A 36 7.882 -16.136 -9.538 1.00 0.00 C ATOM 503 C GLY A 36 8.473 -14.745 -9.428 1.00 0.00 C ATOM 504 O GLY A 36 8.788 -14.282 -8.331 1.00 0.00 O ATOM 0 H GLY A 36 8.037 -16.419 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.627 -16.812 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.042 -16.116 -10.232 1.00 0.00 H new ATOM 508 N ILE A 37 8.627 -14.077 -10.566 1.00 0.00 N ATOM 509 CA ILE A 37 9.186 -12.731 -10.592 1.00 0.00 C ATOM 510 C ILE A 37 8.099 -11.681 -10.391 1.00 0.00 C ATOM 511 O ILE A 37 7.212 -11.522 -11.230 1.00 0.00 O ATOM 512 CB ILE A 37 9.916 -12.450 -11.919 1.00 0.00 C ATOM 513 CG1 ILE A 37 11.011 -13.493 -12.154 1.00 0.00 C ATOM 514 CG2 ILE A 37 10.506 -11.048 -11.912 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.337 -13.707 -13.616 1.00 0.00 C ATOM 0 H ILE A 37 8.373 -14.446 -11.482 1.00 0.00 H new ATOM 0 HA ILE A 37 9.902 -12.671 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 37 9.196 -12.516 -12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.915 -13.183 -11.630 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.698 -14.441 -11.717 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.019 -10.864 -12.856 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.707 -10.318 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.216 -10.956 -11.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.121 -14.459 -13.708 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.445 -14.047 -14.142 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.681 -12.769 -14.053 1.00 0.00 H new ATOM 527 N ILE A 38 8.176 -10.965 -9.274 1.00 0.00 N ATOM 528 CA ILE A 38 7.200 -9.927 -8.964 1.00 0.00 C ATOM 529 C ILE A 38 7.294 -8.771 -9.954 1.00 0.00 C ATOM 530 O ILE A 38 8.302 -8.065 -10.007 1.00 0.00 O ATOM 531 CB ILE A 38 7.391 -9.383 -7.536 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.033 -10.456 -6.506 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.545 -8.136 -7.327 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.114 -9.970 -5.076 1.00 0.00 C ATOM 0 H ILE A 38 8.904 -11.084 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 38 6.215 -10.387 -9.039 1.00 0.00 H new ATOM 0 HB ILE A 38 8.439 -9.114 -7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.023 -10.815 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.703 -11.306 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.691 -7.763 -6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.844 -7.369 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.493 -8.381 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.847 -10.782 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.130 -9.638 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.423 -9.139 -4.935 1.00 0.00 H new ATOM 546 N LEU A 39 6.237 -8.581 -10.736 1.00 0.00 N ATOM 547 CA LEU A 39 6.199 -7.508 -11.724 1.00 0.00 C ATOM 548 C LEU A 39 6.160 -6.143 -11.044 1.00 0.00 C ATOM 549 O LEU A 39 7.016 -5.292 -11.289 1.00 0.00 O ATOM 550 CB LEU A 39 4.981 -7.671 -12.636 1.00 0.00 C ATOM 551 CG LEU A 39 4.810 -9.044 -13.287 1.00 0.00 C ATOM 552 CD1 LEU A 39 3.341 -9.323 -13.566 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.624 -9.130 -14.570 1.00 0.00 C ATOM 0 H LEU A 39 5.395 -9.156 -10.705 1.00 0.00 H new ATOM 0 HA LEU A 39 7.106 -7.568 -12.325 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.085 -7.452 -12.055 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.040 -6.922 -13.425 1.00 0.00 H new ATOM 0 HG LEU A 39 5.177 -9.802 -12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.239 -10.304 -14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.783 -9.304 -12.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.947 -8.561 -14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.491 -10.114 -15.020 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.286 -8.363 -15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.679 -8.975 -14.343 1.00 0.00 H new ATOM 565 N ASP A 40 5.164 -5.942 -10.189 1.00 0.00 N ATOM 566 CA ASP A 40 5.015 -4.682 -9.470 1.00 0.00 C ATOM 567 C ASP A 40 4.298 -4.895 -8.141 1.00 0.00 C ATOM 568 O ASP A 40 3.888 -6.010 -7.817 1.00 0.00 O ATOM 569 CB ASP A 40 4.246 -3.672 -10.323 1.00 0.00 C ATOM 570 CG ASP A 40 5.033 -3.222 -11.539 1.00 0.00 C ATOM 571 OD1 ASP A 40 6.253 -2.992 -11.404 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.428 -3.100 -12.624 1.00 0.00 O ATOM 0 H ASP A 40 4.447 -6.636 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 40 6.011 -4.289 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.305 -4.117 -10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.995 -2.803 -9.714 1.00 0.00 H new ATOM 577 N TYR A 41 4.150 -3.820 -7.376 1.00 0.00 N ATOM 578 CA TYR A 41 3.485 -3.890 -6.080 1.00 0.00 C ATOM 579 C TYR A 41 2.354 -2.869 -5.992 1.00 0.00 C ATOM 580 O TYR A 41 2.572 -1.670 -6.161 1.00 0.00 O ATOM 581 CB TYR A 41 4.492 -3.650 -4.953 1.00 0.00 C ATOM 582 CG TYR A 41 5.684 -4.579 -4.998 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.752 -4.330 -5.851 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.741 -5.707 -4.189 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.843 -5.176 -5.896 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.828 -6.558 -4.226 1.00 0.00 C ATOM 587 CZ TYR A 41 7.877 -6.289 -5.081 1.00 0.00 C ATOM 588 OH TYR A 41 8.961 -7.135 -5.122 1.00 0.00 O ATOM 0 H TYR A 41 4.481 -2.889 -7.630 1.00 0.00 H new ATOM 0 HA TYR A 41 3.059 -4.888 -5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.843 -2.619 -5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.987 -3.767 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.729 -3.460 -6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.921 -5.922 -3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.665 -4.968 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.857 -7.430 -3.589 1.00 0.00 H new ATOM 0 HH TYR A 41 9.662 -6.798 -4.526 1.00 0.00 H new ATOM 598 N GLU A 42 1.146 -3.356 -5.726 1.00 0.00 N ATOM 599 CA GLU A 42 -0.020 -2.488 -5.616 1.00 0.00 C ATOM 600 C GLU A 42 -0.224 -2.031 -4.174 1.00 0.00 C ATOM 601 O GLU A 42 0.134 -2.738 -3.232 1.00 0.00 O ATOM 602 CB GLU A 42 -1.272 -3.212 -6.115 1.00 0.00 C ATOM 603 CG GLU A 42 -2.507 -2.328 -6.163 1.00 0.00 C ATOM 604 CD GLU A 42 -2.608 -1.536 -7.452 1.00 0.00 C ATOM 605 OE1 GLU A 42 -2.473 -2.145 -8.534 1.00 0.00 O ATOM 606 OE2 GLU A 42 -2.821 -0.308 -7.380 1.00 0.00 O ATOM 0 H GLU A 42 0.950 -4.347 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 42 0.154 -1.609 -6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.080 -3.608 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.471 -4.065 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.397 -2.947 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.489 -1.639 -5.318 1.00 0.00 H new ATOM 613 N ILE A 43 -0.800 -0.845 -4.011 1.00 0.00 N ATOM 614 CA ILE A 43 -1.052 -0.294 -2.686 1.00 0.00 C ATOM 615 C ILE A 43 -2.472 0.251 -2.578 1.00 0.00 C ATOM 616 O ILE A 43 -2.897 1.069 -3.394 1.00 0.00 O ATOM 617 CB ILE A 43 -0.055 0.829 -2.344 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.363 0.266 -2.233 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.459 1.520 -1.050 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.078 0.163 -3.563 1.00 0.00 C ATOM 0 H ILE A 43 -1.101 -0.247 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.924 -1.111 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.071 1.566 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.946 0.900 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.318 -0.723 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.255 2.311 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.454 1.951 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.468 0.794 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.077 -0.244 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.517 -0.495 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.155 1.153 -4.012 1.00 0.00 H new ATOM 632 N ARG A 44 -3.200 -0.206 -1.564 1.00 0.00 N ATOM 633 CA ARG A 44 -4.572 0.237 -1.349 1.00 0.00 C ATOM 634 C ARG A 44 -4.719 0.909 0.013 1.00 0.00 C ATOM 635 O ARG A 44 -4.446 0.303 1.049 1.00 0.00 O ATOM 636 CB ARG A 44 -5.535 -0.947 -1.451 1.00 0.00 C ATOM 637 CG ARG A 44 -6.980 -0.586 -1.149 1.00 0.00 C ATOM 638 CD ARG A 44 -7.909 -1.768 -1.375 1.00 0.00 C ATOM 639 NE ARG A 44 -7.798 -2.763 -0.312 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.336 -3.976 -0.381 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.018 -4.342 -1.457 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.191 -4.826 0.628 1.00 0.00 N ATOM 0 H ARG A 44 -2.863 -0.882 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.818 0.964 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.477 -1.366 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.213 -1.727 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.063 -0.249 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.288 0.246 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.938 -1.414 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.677 -2.234 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.279 -2.513 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.131 -3.692 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.430 -5.274 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.666 -4.548 1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.604 -5.757 0.574 1.00 0.00 H new ATOM 656 N TYR A 45 -5.152 2.165 0.003 1.00 0.00 N ATOM 657 CA TYR A 45 -5.333 2.921 1.237 1.00 0.00 C ATOM 658 C TYR A 45 -6.728 3.534 1.302 1.00 0.00 C ATOM 659 O TYR A 45 -7.304 3.905 0.278 1.00 0.00 O ATOM 660 CB TYR A 45 -4.275 4.021 1.346 1.00 0.00 C ATOM 661 CG TYR A 45 -4.153 4.868 0.100 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.617 4.345 -1.070 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.573 6.193 0.092 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.503 5.116 -2.211 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.465 6.970 -1.044 1.00 0.00 C ATOM 666 CZ TYR A 45 -3.928 6.428 -2.193 1.00 0.00 C ATOM 667 OH TYR A 45 -3.817 7.200 -3.327 1.00 0.00 O ATOM 0 H TYR A 45 -5.384 2.681 -0.846 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.220 2.232 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.518 4.665 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.309 3.564 1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.284 3.318 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.991 6.622 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.083 4.694 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.799 7.997 -1.033 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.163 8.099 -3.146 1.00 0.00 H new ATOM 677 N TYR A 46 -7.267 3.637 2.512 1.00 0.00 N ATOM 678 CA TYR A 46 -8.595 4.203 2.711 1.00 0.00 C ATOM 679 C TYR A 46 -8.699 4.883 4.073 1.00 0.00 C ATOM 680 O TYR A 46 -7.948 4.567 4.995 1.00 0.00 O ATOM 681 CB TYR A 46 -9.661 3.112 2.591 1.00 0.00 C ATOM 682 CG TYR A 46 -9.358 1.878 3.410 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.757 1.786 4.738 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.675 0.802 2.856 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.482 0.661 5.490 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.398 -0.328 3.600 1.00 0.00 C ATOM 687 CZ TYR A 46 -8.802 -0.394 4.917 1.00 0.00 C ATOM 688 OH TYR A 46 -8.528 -1.517 5.663 1.00 0.00 O ATOM 0 H TYR A 46 -6.804 3.336 3.370 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.762 4.952 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.622 3.519 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.761 2.827 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.291 2.609 5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.355 0.850 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.798 0.607 6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.868 -1.156 3.153 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.911 -2.096 5.168 1.00 0.00 H new ATOM 698 N GLU A 47 -9.636 5.818 4.190 1.00 0.00 N ATOM 699 CA GLU A 47 -9.839 6.543 5.439 1.00 0.00 C ATOM 700 C GLU A 47 -10.217 5.588 6.568 1.00 0.00 C ATOM 701 O GLU A 47 -11.006 4.663 6.376 1.00 0.00 O ATOM 702 CB GLU A 47 -10.928 7.604 5.268 1.00 0.00 C ATOM 703 CG GLU A 47 -10.400 8.947 4.791 1.00 0.00 C ATOM 704 CD GLU A 47 -11.469 10.023 4.778 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.697 10.646 5.835 1.00 0.00 O ATOM 706 OE2 GLU A 47 -12.076 10.241 3.708 1.00 0.00 O ATOM 0 H GLU A 47 -10.266 6.091 3.436 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.901 7.034 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.669 7.241 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.441 7.742 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.581 9.262 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.989 8.836 3.787 1.00 0.00 H new ATOM 713 N LYS A 48 -9.647 5.819 7.746 1.00 0.00 N ATOM 714 CA LYS A 48 -9.922 4.981 8.907 1.00 0.00 C ATOM 715 C LYS A 48 -11.418 4.938 9.204 1.00 0.00 C ATOM 716 O LYS A 48 -11.898 4.032 9.884 1.00 0.00 O ATOM 717 CB LYS A 48 -9.164 5.502 10.129 1.00 0.00 C ATOM 718 CG LYS A 48 -9.078 4.498 11.266 1.00 0.00 C ATOM 719 CD LYS A 48 -8.171 4.992 12.380 1.00 0.00 C ATOM 720 CE LYS A 48 -8.435 4.254 13.683 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.495 4.918 14.492 1.00 0.00 N ATOM 0 H LYS A 48 -8.991 6.580 7.922 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.584 3.969 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.155 5.784 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.653 6.407 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.076 4.311 11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.704 3.548 10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.129 4.857 12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.325 6.061 12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.733 3.228 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.514 4.202 14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.645 4.385 15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.200 5.888 14.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.381 4.945 13.948 1.00 0.00 H new ATOM 735 N GLU A 49 -12.148 5.922 8.687 1.00 0.00 N ATOM 736 CA GLU A 49 -13.589 5.994 8.897 1.00 0.00 C ATOM 737 C GLU A 49 -14.344 5.576 7.639 1.00 0.00 C ATOM 738 O GLU A 49 -15.521 5.897 7.472 1.00 0.00 O ATOM 739 CB GLU A 49 -13.997 7.412 9.303 1.00 0.00 C ATOM 740 CG GLU A 49 -13.455 7.838 10.656 1.00 0.00 C ATOM 741 CD GLU A 49 -13.910 9.228 11.056 1.00 0.00 C ATOM 742 OE1 GLU A 49 -13.653 10.179 10.288 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.522 9.365 12.136 1.00 0.00 O ATOM 0 H GLU A 49 -11.765 6.679 8.121 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.848 5.305 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.648 8.113 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.085 7.477 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.776 7.123 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.366 7.809 10.632 1.00 0.00 H new ATOM 750 N HIS A 50 -13.658 4.858 6.755 1.00 0.00 N ATOM 751 CA HIS A 50 -14.263 4.395 5.511 1.00 0.00 C ATOM 752 C HIS A 50 -14.043 2.897 5.325 1.00 0.00 C ATOM 753 O HIS A 50 -13.436 2.239 6.169 1.00 0.00 O ATOM 754 CB HIS A 50 -13.682 5.159 4.322 1.00 0.00 C ATOM 755 CG HIS A 50 -14.405 6.436 4.020 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.681 6.859 2.736 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.910 7.384 4.843 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.323 8.012 2.784 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.476 8.352 4.051 1.00 0.00 N ATOM 0 H HIS A 50 -12.683 4.584 6.877 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.335 4.583 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.634 5.383 4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.709 4.518 3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.874 7.380 5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.665 8.580 1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.939 9.196 4.387 1.00 0.00 H new ATOM 768 N ASN A 51 -14.542 2.364 4.214 1.00 0.00 N ATOM 769 CA ASN A 51 -14.401 0.943 3.918 1.00 0.00 C ATOM 770 C ASN A 51 -13.541 0.729 2.675 1.00 0.00 C ATOM 771 O ASN A 51 -13.094 1.687 2.046 1.00 0.00 O ATOM 772 CB ASN A 51 -15.776 0.304 3.716 1.00 0.00 C ATOM 773 CG ASN A 51 -16.735 1.217 2.976 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.447 1.673 1.870 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.883 1.488 3.587 1.00 0.00 N ATOM 0 H ASN A 51 -15.047 2.895 3.504 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.908 0.468 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.663 -0.627 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.200 0.046 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.568 2.097 3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.080 1.087 4.504 1.00 0.00 H new ATOM 782 N GLU A 52 -13.317 -0.534 2.328 1.00 0.00 N ATOM 783 CA GLU A 52 -12.511 -0.873 1.161 1.00 0.00 C ATOM 784 C GLU A 52 -13.171 -0.371 -0.120 1.00 0.00 C ATOM 785 O GLU A 52 -12.493 -0.058 -1.099 1.00 0.00 O ATOM 786 CB GLU A 52 -12.301 -2.387 1.081 1.00 0.00 C ATOM 787 CG GLU A 52 -11.378 -2.932 2.157 1.00 0.00 C ATOM 788 CD GLU A 52 -11.900 -2.676 3.558 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.064 -3.038 3.832 1.00 0.00 O ATOM 790 OE2 GLU A 52 -11.146 -2.114 4.379 1.00 0.00 O ATOM 0 H GLU A 52 -13.682 -1.339 2.838 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.542 -0.384 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.268 -2.884 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.891 -2.637 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.250 -4.005 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.394 -2.476 2.051 1.00 0.00 H new ATOM 797 N PHE A 53 -14.497 -0.298 -0.106 1.00 0.00 N ATOM 798 CA PHE A 53 -15.250 0.164 -1.266 1.00 0.00 C ATOM 799 C PHE A 53 -14.707 1.498 -1.770 1.00 0.00 C ATOM 800 O PHE A 53 -14.125 1.575 -2.851 1.00 0.00 O ATOM 801 CB PHE A 53 -16.733 0.304 -0.916 1.00 0.00 C ATOM 802 CG PHE A 53 -17.609 0.554 -2.110 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.778 -0.422 -3.079 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.265 1.765 -2.263 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.584 -0.194 -4.179 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.072 1.999 -3.361 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.232 1.017 -4.319 1.00 0.00 C ATOM 0 H PHE A 53 -15.073 -0.553 0.696 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.139 -0.577 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.067 -0.604 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.855 1.123 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.274 -1.372 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.144 2.535 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.707 -0.962 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.576 2.948 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.863 1.196 -5.177 1.00 0.00 H new ATOM 817 N ASN A 54 -14.904 2.548 -0.978 1.00 0.00 N ATOM 818 CA ASN A 54 -14.435 3.880 -1.344 1.00 0.00 C ATOM 819 C ASN A 54 -12.986 4.083 -0.915 1.00 0.00 C ATOM 820 O ASN A 54 -12.697 4.890 -0.032 1.00 0.00 O ATOM 821 CB ASN A 54 -15.324 4.949 -0.704 1.00 0.00 C ATOM 822 CG ASN A 54 -16.490 5.338 -1.592 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.302 5.758 -2.734 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.703 5.200 -1.069 1.00 0.00 N ATOM 0 H ASN A 54 -15.385 2.502 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.490 3.973 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.704 4.579 0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.725 5.834 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.526 5.446 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.811 4.848 -0.118 1.00 0.00 H new ATOM 831 N SER A 55 -12.078 3.346 -1.547 1.00 0.00 N ATOM 832 CA SER A 55 -10.658 3.443 -1.228 1.00 0.00 C ATOM 833 C SER A 55 -9.858 3.896 -2.446 1.00 0.00 C ATOM 834 O SER A 55 -10.417 4.129 -3.518 1.00 0.00 O ATOM 835 CB SER A 55 -10.132 2.096 -0.730 1.00 0.00 C ATOM 836 OG SER A 55 -11.014 1.524 0.220 1.00 0.00 O ATOM 0 H SER A 55 -12.300 2.675 -2.283 1.00 0.00 H new ATOM 0 HA SER A 55 -10.538 4.185 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.009 1.416 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.147 2.230 -0.282 1.00 0.00 H new ATOM 0 HG SER A 55 -11.558 2.230 0.628 1.00 0.00 H new ATOM 842 N SER A 56 -8.546 4.017 -2.272 1.00 0.00 N ATOM 843 CA SER A 56 -7.668 4.445 -3.355 1.00 0.00 C ATOM 844 C SER A 56 -6.588 3.401 -3.624 1.00 0.00 C ATOM 845 O SER A 56 -6.124 2.723 -2.709 1.00 0.00 O ATOM 846 CB SER A 56 -7.020 5.789 -3.014 1.00 0.00 C ATOM 847 OG SER A 56 -8.002 6.783 -2.779 1.00 0.00 O ATOM 0 H SER A 56 -8.068 3.825 -1.392 1.00 0.00 H new ATOM 0 HA SER A 56 -8.272 4.559 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.390 5.679 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.370 6.101 -3.832 1.00 0.00 H new ATOM 0 HG SER A 56 -7.563 7.632 -2.562 1.00 0.00 H new ATOM 853 N MET A 57 -6.194 3.279 -4.888 1.00 0.00 N ATOM 854 CA MET A 57 -5.169 2.319 -5.278 1.00 0.00 C ATOM 855 C MET A 57 -3.994 3.021 -5.952 1.00 0.00 C ATOM 856 O MET A 57 -4.148 4.103 -6.518 1.00 0.00 O ATOM 857 CB MET A 57 -5.757 1.267 -6.221 1.00 0.00 C ATOM 858 CG MET A 57 -6.894 0.468 -5.605 1.00 0.00 C ATOM 859 SD MET A 57 -7.385 -0.939 -6.621 1.00 0.00 S ATOM 860 CE MET A 57 -5.934 -1.980 -6.481 1.00 0.00 C ATOM 0 H MET A 57 -6.569 3.833 -5.658 1.00 0.00 H new ATOM 0 HA MET A 57 -4.807 1.827 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.118 1.761 -7.123 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.966 0.582 -6.527 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.591 0.112 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.754 1.122 -5.457 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.510 -2.148 -7.471 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.194 -1.490 -5.848 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.214 -2.936 -6.039 1.00 0.00 H new ATOM 870 N ALA A 58 -2.822 2.400 -5.886 1.00 0.00 N ATOM 871 CA ALA A 58 -1.622 2.965 -6.490 1.00 0.00 C ATOM 872 C ALA A 58 -0.584 1.882 -6.768 1.00 0.00 C ATOM 873 O ALA A 58 -0.207 1.127 -5.872 1.00 0.00 O ATOM 874 CB ALA A 58 -1.035 4.043 -5.591 1.00 0.00 C ATOM 0 H ALA A 58 -2.677 1.504 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.903 3.415 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.139 4.456 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.768 4.837 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.776 3.610 -4.625 1.00 0.00 H new ATOM 880 N ARG A 59 -0.127 1.813 -8.014 1.00 0.00 N ATOM 881 CA ARG A 59 0.866 0.821 -8.409 1.00 0.00 C ATOM 882 C ARG A 59 2.280 1.350 -8.190 1.00 0.00 C ATOM 883 O ARG A 59 2.516 2.557 -8.238 1.00 0.00 O ATOM 884 CB ARG A 59 0.675 0.434 -9.876 1.00 0.00 C ATOM 885 CG ARG A 59 -0.488 -0.516 -10.110 1.00 0.00 C ATOM 886 CD ARG A 59 -1.785 0.241 -10.351 1.00 0.00 C ATOM 887 NE ARG A 59 -2.711 -0.513 -11.192 1.00 0.00 N ATOM 888 CZ ARG A 59 -4.016 -0.273 -11.246 1.00 0.00 C ATOM 889 NH1 ARG A 59 -4.547 0.695 -10.512 1.00 0.00 N ATOM 890 NH2 ARG A 59 -4.794 -1.003 -12.036 1.00 0.00 N ATOM 0 H ARG A 59 -0.428 2.432 -8.767 1.00 0.00 H new ATOM 0 HA ARG A 59 0.728 -0.063 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.518 1.338 -10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.591 -0.029 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.272 -1.153 -10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.603 -1.172 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.260 0.460 -9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.564 1.198 -10.823 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.335 -1.265 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.953 1.258 -9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.550 0.877 -10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.390 -1.749 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.796 -0.818 -12.077 1.00 0.00 H new ATOM 904 N SER A 60 3.217 0.439 -7.950 1.00 0.00 N ATOM 905 CA SER A 60 4.607 0.814 -7.720 1.00 0.00 C ATOM 906 C SER A 60 5.555 -0.181 -8.382 1.00 0.00 C ATOM 907 O SER A 60 5.341 -1.392 -8.323 1.00 0.00 O ATOM 908 CB SER A 60 4.896 0.889 -6.219 1.00 0.00 C ATOM 909 OG SER A 60 6.208 1.363 -5.975 1.00 0.00 O ATOM 0 H SER A 60 3.039 -0.565 -7.910 1.00 0.00 H new ATOM 0 HA SER A 60 4.770 1.796 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.173 1.548 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.774 -0.098 -5.772 1.00 0.00 H new ATOM 0 HG SER A 60 6.761 0.632 -5.629 1.00 0.00 H new ATOM 915 N GLN A 61 6.603 0.339 -9.013 1.00 0.00 N ATOM 916 CA GLN A 61 7.584 -0.503 -9.688 1.00 0.00 C ATOM 917 C GLN A 61 8.665 -0.965 -8.716 1.00 0.00 C ATOM 918 O GLN A 61 9.772 -1.318 -9.124 1.00 0.00 O ATOM 919 CB GLN A 61 8.220 0.254 -10.855 1.00 0.00 C ATOM 920 CG GLN A 61 7.269 0.491 -12.017 1.00 0.00 C ATOM 921 CD GLN A 61 7.993 0.669 -13.337 1.00 0.00 C ATOM 922 OE1 GLN A 61 9.052 1.294 -13.398 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.424 0.119 -14.403 1.00 0.00 N ATOM 0 H GLN A 61 6.795 1.339 -9.071 1.00 0.00 H new ATOM 0 HA GLN A 61 7.068 -1.382 -10.073 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.588 1.215 -10.496 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.084 -0.306 -11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.580 -0.350 -12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.668 1.377 -11.814 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.546 -0.390 -14.306 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.865 0.206 -15.319 1.00 0.00 H new ATOM 932 N THR A 62 8.337 -0.959 -7.428 1.00 0.00 N ATOM 933 CA THR A 62 9.280 -1.376 -6.398 1.00 0.00 C ATOM 934 C THR A 62 8.574 -1.602 -5.065 1.00 0.00 C ATOM 935 O THR A 62 7.372 -1.371 -4.942 1.00 0.00 O ATOM 936 CB THR A 62 10.397 -0.333 -6.203 1.00 0.00 C ATOM 937 OG1 THR A 62 11.156 -0.641 -5.029 1.00 0.00 O ATOM 938 CG2 THR A 62 9.815 1.067 -6.085 1.00 0.00 C ATOM 0 H THR A 62 7.425 -0.670 -7.073 1.00 0.00 H new ATOM 0 HA THR A 62 9.723 -2.313 -6.736 1.00 0.00 H new ATOM 0 HB THR A 62 11.050 -0.365 -7.075 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.956 -0.076 -4.999 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.622 1.786 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.263 1.309 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.142 1.110 -5.229 1.00 0.00 H new ATOM 946 N ASN A 63 9.330 -2.054 -4.070 1.00 0.00 N ATOM 947 CA ASN A 63 8.776 -2.311 -2.746 1.00 0.00 C ATOM 948 C ASN A 63 8.570 -1.008 -1.980 1.00 0.00 C ATOM 949 O ASN A 63 8.236 -1.017 -0.795 1.00 0.00 O ATOM 950 CB ASN A 63 9.700 -3.240 -1.955 1.00 0.00 C ATOM 951 CG ASN A 63 9.364 -4.704 -2.161 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.518 -5.239 -3.259 1.00 0.00 O ATOM 953 ND2 ASN A 63 8.901 -5.359 -1.103 1.00 0.00 N ATOM 0 H ASN A 63 10.327 -2.250 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 63 7.807 -2.794 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.733 -3.062 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.630 -3.000 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.657 -6.346 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.790 -4.875 -0.212 1.00 0.00 H new ATOM 960 N THR A 64 8.770 0.113 -2.666 1.00 0.00 N ATOM 961 CA THR A 64 8.607 1.424 -2.051 1.00 0.00 C ATOM 962 C THR A 64 7.698 2.315 -2.890 1.00 0.00 C ATOM 963 O THR A 64 7.942 2.523 -4.078 1.00 0.00 O ATOM 964 CB THR A 64 9.964 2.129 -1.861 1.00 0.00 C ATOM 965 OG1 THR A 64 9.758 3.504 -1.518 1.00 0.00 O ATOM 966 CG2 THR A 64 10.803 2.037 -3.126 1.00 0.00 C ATOM 0 H THR A 64 9.045 0.139 -3.648 1.00 0.00 H new ATOM 0 HA THR A 64 8.151 1.260 -1.074 1.00 0.00 H new ATOM 0 HB THR A 64 10.498 1.630 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.625 3.945 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.756 2.542 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.983 0.990 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.272 2.514 -3.950 1.00 0.00 H new ATOM 974 N ALA A 65 6.650 2.840 -2.264 1.00 0.00 N ATOM 975 CA ALA A 65 5.706 3.711 -2.953 1.00 0.00 C ATOM 976 C ALA A 65 5.174 4.792 -2.018 1.00 0.00 C ATOM 977 O ALA A 65 4.850 4.522 -0.862 1.00 0.00 O ATOM 978 CB ALA A 65 4.557 2.895 -3.527 1.00 0.00 C ATOM 0 H ALA A 65 6.433 2.677 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 65 6.233 4.202 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.860 3.558 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.948 2.164 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.039 2.378 -2.719 1.00 0.00 H new ATOM 984 N ARG A 66 5.087 6.017 -2.527 1.00 0.00 N ATOM 985 CA ARG A 66 4.596 7.139 -1.736 1.00 0.00 C ATOM 986 C ARG A 66 3.130 7.425 -2.050 1.00 0.00 C ATOM 987 O ARG A 66 2.704 7.343 -3.202 1.00 0.00 O ATOM 988 CB ARG A 66 5.439 8.387 -2.004 1.00 0.00 C ATOM 989 CG ARG A 66 4.839 9.662 -1.434 1.00 0.00 C ATOM 990 CD ARG A 66 5.538 10.898 -1.977 1.00 0.00 C ATOM 991 NE ARG A 66 6.692 11.275 -1.166 1.00 0.00 N ATOM 992 CZ ARG A 66 7.408 12.375 -1.372 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.089 13.202 -2.358 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.444 12.650 -0.590 1.00 0.00 N ATOM 0 H ARG A 66 5.350 6.257 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 66 4.679 6.872 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.432 8.242 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.566 8.505 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.778 9.706 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.916 9.647 -0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.860 10.711 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.832 11.728 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 66 6.963 10.660 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.292 12.994 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.640 14.046 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.691 12.017 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.993 13.495 -0.749 1.00 0.00 H new ATOM 1008 N ILE A 67 2.364 7.761 -1.017 1.00 0.00 N ATOM 1009 CA ILE A 67 0.947 8.059 -1.183 1.00 0.00 C ATOM 1010 C ILE A 67 0.693 9.562 -1.142 1.00 0.00 C ATOM 1011 O ILE A 67 1.088 10.243 -0.195 1.00 0.00 O ATOM 1012 CB ILE A 67 0.097 7.376 -0.096 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.488 5.903 0.038 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.384 7.509 -0.420 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.034 5.049 -1.124 1.00 0.00 C ATOM 0 H ILE A 67 2.701 7.834 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 67 0.655 7.670 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 67 0.287 7.871 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.572 5.830 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.062 5.505 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.972 7.021 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.652 8.564 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.590 7.037 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.346 4.017 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.052 5.091 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.481 5.422 -2.046 1.00 0.00 H new ATOM 1027 N ASP A 68 0.030 10.073 -2.173 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.280 11.496 -2.254 1.00 0.00 C ATOM 1029 C ASP A 68 -1.784 11.718 -2.376 1.00 0.00 C ATOM 1030 O ASP A 68 -2.497 10.903 -2.960 1.00 0.00 O ATOM 1031 CB ASP A 68 0.440 12.130 -3.445 1.00 0.00 C ATOM 1032 CG ASP A 68 -0.078 11.617 -4.774 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -1.153 12.079 -5.210 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.593 10.755 -5.380 1.00 0.00 O ATOM 0 H ASP A 68 -0.303 9.523 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 68 0.066 11.971 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.319 13.213 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.508 11.925 -3.371 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.261 12.828 -1.820 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.677 13.137 -1.876 1.00 0.00 C ATOM 1041 C GLY A 69 -4.398 12.791 -0.588 1.00 0.00 C ATOM 1042 O GLY A 69 -5.464 12.175 -0.611 1.00 0.00 O ATOM 0 H GLY A 69 -1.691 13.519 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.806 14.199 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.133 12.590 -2.702 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.816 13.187 0.538 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.408 12.913 1.843 1.00 0.00 C ATOM 1048 C LEU A 70 -4.551 14.196 2.656 1.00 0.00 C ATOM 1049 O LEU A 70 -4.087 15.259 2.242 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.556 11.902 2.611 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.070 10.691 1.813 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.942 9.985 2.549 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.220 9.730 1.549 1.00 0.00 C ATOM 0 H LEU A 70 -2.935 13.699 0.574 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.401 12.493 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.685 12.421 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.134 11.543 3.463 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.688 11.041 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.609 9.126 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.109 10.675 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.298 9.647 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.856 8.874 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.632 9.386 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.997 10.240 0.980 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.194 14.089 3.814 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.397 15.240 4.685 1.00 0.00 C ATOM 1067 C ARG A 71 -4.405 15.226 5.844 1.00 0.00 C ATOM 1068 O ARG A 71 -3.989 14.171 6.325 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.828 15.252 5.225 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.881 15.480 4.153 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.141 16.962 3.933 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.642 17.236 2.589 1.00 0.00 N ATOM 1073 CZ ARG A 71 -7.911 17.093 1.489 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -6.654 16.681 1.573 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -8.438 17.363 0.301 1.00 0.00 N ATOM 0 H ARG A 71 -5.583 13.216 4.171 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.230 16.143 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.028 14.303 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.916 16.033 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.555 15.024 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.809 14.986 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.863 17.316 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.219 17.520 4.097 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.606 17.555 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.245 16.473 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.095 16.572 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.405 17.681 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.876 17.253 -0.543 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.014 16.424 6.304 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.067 16.576 7.412 1.00 0.00 C ATOM 1091 C PRO A 72 -3.663 16.148 8.748 1.00 0.00 C ATOM 1092 O PRO A 72 -4.758 16.574 9.115 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.765 18.077 7.417 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.964 18.706 6.797 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.469 17.722 5.778 1.00 0.00 C ATOM 0 HA PRO A 72 -2.184 15.950 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.604 18.445 8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.862 18.301 6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.726 18.916 7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.708 19.656 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.554 17.760 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.058 17.921 4.788 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.936 15.303 9.473 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.411 14.832 10.761 1.00 0.00 C ATOM 1105 C GLY A 73 -4.551 13.842 10.632 1.00 0.00 C ATOM 1106 O GLY A 73 -5.557 13.950 11.333 1.00 0.00 O ATOM 0 H GLY A 73 -2.027 14.936 9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.587 14.364 11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.739 15.683 11.357 1.00 0.00 H new ATOM 1110 N MET A 74 -4.396 12.876 9.733 1.00 0.00 N ATOM 1111 CA MET A 74 -5.423 11.864 9.515 1.00 0.00 C ATOM 1112 C MET A 74 -4.794 10.494 9.278 1.00 0.00 C ATOM 1113 O MET A 74 -3.813 10.369 8.545 1.00 0.00 O ATOM 1114 CB MET A 74 -6.302 12.247 8.323 1.00 0.00 C ATOM 1115 CG MET A 74 -7.267 11.150 7.902 1.00 0.00 C ATOM 1116 SD MET A 74 -8.853 11.255 8.754 1.00 0.00 S ATOM 1117 CE MET A 74 -8.652 9.986 10.001 1.00 0.00 C ATOM 0 H MET A 74 -3.570 12.773 9.144 1.00 0.00 H new ATOM 0 HA MET A 74 -6.041 11.811 10.411 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.870 13.143 8.574 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.663 12.501 7.478 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.432 11.210 6.826 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.816 10.178 8.101 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.632 9.654 10.343 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.110 9.141 9.576 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.091 10.390 10.844 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.364 9.470 9.903 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.860 8.109 9.759 1.00 0.00 C ATOM 1129 C VAL A 75 -5.437 7.437 8.518 1.00 0.00 C ATOM 1130 O VAL A 75 -6.624 7.572 8.222 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.194 7.253 10.995 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.536 5.886 10.892 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.765 7.966 12.269 1.00 0.00 C ATOM 0 H VAL A 75 -6.176 9.556 10.515 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.777 8.182 9.659 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.274 7.108 11.033 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.783 5.296 11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.898 5.374 10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.455 6.007 10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.009 7.347 13.132 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.690 8.144 12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.289 8.919 12.347 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.589 6.714 7.796 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.013 6.022 6.585 1.00 0.00 C ATOM 1145 C TYR A 76 -4.487 4.590 6.563 1.00 0.00 C ATOM 1146 O TYR A 76 -3.278 4.360 6.599 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.528 6.775 5.345 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.247 8.085 5.113 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -6.402 8.138 4.341 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -4.772 9.268 5.664 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -7.062 9.333 4.125 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -5.427 10.467 5.455 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.571 10.494 4.684 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.224 11.686 4.472 1.00 0.00 O ATOM 0 H TYR A 76 -3.603 6.592 8.028 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.102 5.990 6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.460 6.969 5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.658 6.139 4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.790 7.230 3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.876 9.251 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.957 9.357 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.046 11.378 5.893 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.182 11.518 4.353 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.404 3.630 6.501 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.034 2.220 6.472 1.00 0.00 C ATOM 1166 C VAL A 77 -4.439 1.836 5.121 1.00 0.00 C ATOM 1167 O VAL A 77 -5.165 1.520 4.178 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.246 1.315 6.763 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.813 -0.138 6.875 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.956 1.768 8.029 1.00 0.00 C ATOM 0 H VAL A 77 -6.409 3.803 6.470 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.286 2.073 7.251 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.947 1.396 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.683 -0.762 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.353 -0.454 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.092 -0.241 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.810 1.118 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.266 1.717 8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.302 2.794 7.905 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.113 1.864 5.035 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.420 1.518 3.800 1.00 0.00 C ATOM 1182 C VAL A 78 -2.056 0.037 3.771 1.00 0.00 C ATOM 1183 O VAL A 78 -1.768 -0.561 4.807 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.138 2.353 3.622 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.483 2.048 2.284 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.449 3.837 3.746 1.00 0.00 C ATOM 0 H VAL A 78 -2.497 2.123 5.806 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.105 1.738 2.981 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.437 2.084 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.421 2.647 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.225 0.990 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.175 2.288 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.532 4.413 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.168 4.123 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.870 4.039 4.731 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.071 -0.547 2.577 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.743 -1.958 2.414 1.00 0.00 C ATOM 1198 C GLN A 79 -0.832 -2.169 1.209 1.00 0.00 C ATOM 1199 O GLN A 79 -0.553 -1.235 0.457 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.019 -2.785 2.255 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.896 -2.797 3.497 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.743 -4.050 3.602 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -4.547 -4.872 4.497 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.691 -4.202 2.685 1.00 0.00 N ATOM 0 H GLN A 79 -2.307 -0.065 1.709 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.214 -2.288 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.595 -2.391 1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.748 -3.810 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.266 -2.714 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.547 -1.923 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.818 -3.495 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.292 -5.026 2.705 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.371 -3.403 1.030 1.00 0.00 N ATOM 1214 CA VAL A 80 0.507 -3.737 -0.084 1.00 0.00 C ATOM 1215 C VAL A 80 0.422 -5.220 -0.426 1.00 0.00 C ATOM 1216 O VAL A 80 0.440 -6.074 0.461 1.00 0.00 O ATOM 1217 CB VAL A 80 1.972 -3.377 0.228 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.510 -4.255 1.347 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.830 -3.506 -1.021 1.00 0.00 C ATOM 0 H VAL A 80 -0.592 -4.188 1.643 1.00 0.00 H new ATOM 0 HA VAL A 80 0.170 -3.150 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 80 2.010 -2.340 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.546 -3.987 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.911 -4.108 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.460 -5.301 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.862 -3.248 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.788 -4.532 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.456 -2.831 -1.791 1.00 0.00 H new ATOM 1229 N ARG A 81 0.328 -5.520 -1.718 1.00 0.00 N ATOM 1230 CA ARG A 81 0.239 -6.901 -2.177 1.00 0.00 C ATOM 1231 C ARG A 81 1.267 -7.177 -3.271 1.00 0.00 C ATOM 1232 O ARG A 81 1.840 -6.252 -3.846 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.168 -7.197 -2.698 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.544 -6.392 -3.931 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.808 -6.930 -4.583 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.497 -5.907 -5.366 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.593 -6.142 -6.079 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.121 -7.358 -6.108 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.163 -5.159 -6.765 1.00 0.00 N ATOM 0 H ARG A 81 0.312 -4.825 -2.465 1.00 0.00 H new ATOM 0 HA ARG A 81 0.450 -7.554 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.244 -8.259 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.889 -6.992 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.692 -5.348 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.724 -6.418 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.554 -7.771 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.479 -7.311 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.116 -4.961 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.686 -8.116 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.963 -7.536 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.760 -4.222 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.004 -5.340 -7.312 1.00 0.00 H new ATOM 1253 N ALA A 82 1.494 -8.456 -3.553 1.00 0.00 N ATOM 1254 CA ALA A 82 2.450 -8.854 -4.578 1.00 0.00 C ATOM 1255 C ALA A 82 1.740 -9.432 -5.797 1.00 0.00 C ATOM 1256 O ALA A 82 0.975 -10.391 -5.685 1.00 0.00 O ATOM 1257 CB ALA A 82 3.440 -9.862 -4.014 1.00 0.00 C ATOM 0 H ALA A 82 1.028 -9.234 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 82 2.995 -7.965 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.148 -10.150 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.979 -9.414 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.903 -10.745 -3.667 1.00 0.00 H new ATOM 1263 N ARG A 83 1.996 -8.843 -6.961 1.00 0.00 N ATOM 1264 CA ARG A 83 1.379 -9.300 -8.200 1.00 0.00 C ATOM 1265 C ARG A 83 2.411 -9.957 -9.112 1.00 0.00 C ATOM 1266 O ARG A 83 3.528 -9.461 -9.262 1.00 0.00 O ATOM 1267 CB ARG A 83 0.714 -8.128 -8.925 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.027 -8.535 -10.188 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.087 -7.394 -11.192 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.338 -7.871 -12.549 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.649 -7.071 -13.563 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.748 -5.763 -13.374 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -0.863 -7.581 -14.769 1.00 0.00 N ATOM 0 H ARG A 83 2.626 -8.049 -7.071 1.00 0.00 H new ATOM 0 HA ARG A 83 0.620 -10.040 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.015 -7.640 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.475 -7.391 -9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.469 -9.394 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.039 -8.849 -9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.873 -6.697 -10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.853 -6.842 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.271 -8.873 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.585 -5.368 -12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.987 -5.152 -14.155 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.789 -8.587 -14.918 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.102 -6.967 -15.547 1.00 0.00 H new ATOM 1287 N THR A 84 2.030 -11.077 -9.718 1.00 0.00 N ATOM 1288 CA THR A 84 2.922 -11.803 -10.613 1.00 0.00 C ATOM 1289 C THR A 84 2.203 -12.209 -11.895 1.00 0.00 C ATOM 1290 O THR A 84 1.005 -11.971 -12.049 1.00 0.00 O ATOM 1291 CB THR A 84 3.492 -13.064 -9.936 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.424 -13.928 -9.531 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.338 -12.694 -8.728 1.00 0.00 C ATOM 0 H THR A 84 1.109 -11.501 -9.605 1.00 0.00 H new ATOM 0 HA THR A 84 3.743 -11.129 -10.858 1.00 0.00 H new ATOM 0 HB THR A 84 4.124 -13.582 -10.657 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.795 -14.728 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.730 -13.601 -8.267 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.167 -12.061 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.725 -12.155 -8.006 1.00 0.00 H new ATOM 1301 N VAL A 85 2.942 -12.824 -12.813 1.00 0.00 N ATOM 1302 CA VAL A 85 2.375 -13.265 -14.081 1.00 0.00 C ATOM 1303 C VAL A 85 1.270 -14.292 -13.862 1.00 0.00 C ATOM 1304 O VAL A 85 0.530 -14.629 -14.785 1.00 0.00 O ATOM 1305 CB VAL A 85 3.453 -13.875 -14.997 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.917 -15.218 -14.454 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.928 -14.016 -16.417 1.00 0.00 C ATOM 0 H VAL A 85 3.935 -13.028 -12.702 1.00 0.00 H new ATOM 0 HA VAL A 85 1.956 -12.382 -14.564 1.00 0.00 H new ATOM 0 HB VAL A 85 4.311 -13.203 -15.017 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.678 -15.634 -15.114 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.336 -15.082 -13.457 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.070 -15.902 -14.402 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.703 -14.448 -17.050 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.053 -14.666 -16.419 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.651 -13.034 -16.802 1.00 0.00 H new ATOM 1317 N ALA A 86 1.164 -14.786 -12.633 1.00 0.00 N ATOM 1318 CA ALA A 86 0.148 -15.773 -12.290 1.00 0.00 C ATOM 1319 C ALA A 86 -1.155 -15.098 -11.877 1.00 0.00 C ATOM 1320 O ALA A 86 -2.231 -15.459 -12.352 1.00 0.00 O ATOM 1321 CB ALA A 86 0.649 -16.683 -11.179 1.00 0.00 C ATOM 0 H ALA A 86 1.770 -14.518 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.051 -16.376 -13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.120 -17.415 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.549 -17.200 -11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.878 -16.087 -10.296 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.052 -14.116 -10.987 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.230 -13.407 -10.523 1.00 0.00 C ATOM 1329 C GLY A 87 -1.897 -12.325 -9.515 1.00 0.00 C ATOM 1330 O GLY A 87 -0.782 -11.802 -9.501 1.00 0.00 O ATOM 0 H GLY A 87 -0.173 -13.799 -10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.740 -12.960 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.924 -14.117 -10.073 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.865 -11.987 -8.671 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.670 -10.957 -7.657 1.00 0.00 C ATOM 1336 C TYR A 88 -2.501 -11.579 -6.274 1.00 0.00 C ATOM 1337 O TYR A 88 -3.200 -12.526 -5.917 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.853 -9.988 -7.651 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.706 -8.846 -8.632 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -2.899 -7.754 -8.340 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.374 -8.861 -9.850 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -2.763 -6.709 -9.233 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -4.242 -7.821 -10.750 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.436 -6.747 -10.436 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.301 -5.708 -11.329 1.00 0.00 O ATOM 0 H TYR A 88 -3.793 -12.411 -8.669 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.761 -10.409 -7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.764 -10.539 -7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.973 -9.580 -6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.369 -7.721 -7.399 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.007 -9.700 -10.098 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.133 -5.866 -8.990 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.767 -7.849 -11.694 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.840 -5.891 -12.127 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.565 -11.037 -5.500 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.319 -11.550 -4.165 1.00 0.00 C ATOM 1357 C GLY A 89 -2.222 -10.917 -3.125 1.00 0.00 C ATOM 1358 O GLY A 89 -2.919 -9.942 -3.408 1.00 0.00 O ATOM 0 H GLY A 89 -0.973 -10.252 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.467 -12.630 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.278 -11.370 -3.896 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.213 -11.472 -1.918 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.037 -10.957 -0.831 1.00 0.00 C ATOM 1364 C LYS A 90 -2.526 -9.600 -0.357 1.00 0.00 C ATOM 1365 O LYS A 90 -1.484 -9.125 -0.810 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.053 -11.945 0.337 1.00 0.00 C ATOM 1367 CG LYS A 90 -4.090 -13.045 0.189 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.520 -14.255 -0.532 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.825 -15.203 0.433 1.00 0.00 C ATOM 1370 NZ LYS A 90 -3.800 -16.020 1.207 1.00 0.00 N ATOM 0 H LYS A 90 -1.643 -12.280 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.053 -10.832 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.066 -12.398 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.244 -11.399 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.449 -13.343 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.950 -12.664 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.322 -14.783 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.813 -13.926 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.159 -15.863 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.204 -14.630 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.399 -16.249 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.681 -15.482 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.002 -16.900 0.691 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.264 -8.982 0.559 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.885 -7.680 1.095 1.00 0.00 C ATOM 1386 C PHE A 91 -2.248 -7.825 2.475 1.00 0.00 C ATOM 1387 O PHE A 91 -2.734 -8.578 3.318 1.00 0.00 O ATOM 1388 CB PHE A 91 -4.107 -6.763 1.179 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.430 -6.076 -0.117 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.573 -5.122 -0.643 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.590 -6.383 -0.809 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.868 -4.488 -1.835 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.891 -5.752 -2.002 1.00 0.00 C ATOM 1394 CZ PHE A 91 -5.028 -4.804 -2.515 1.00 0.00 C ATOM 0 H PHE A 91 -4.128 -9.362 0.946 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.153 -7.236 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.970 -7.349 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.934 -6.009 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.665 -4.871 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.268 -7.124 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.192 -3.746 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.799 -6.000 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.260 -4.310 -3.447 1.00 0.00 H new ATOM 1404 N SER A 92 -1.157 -7.098 2.696 1.00 0.00 N ATOM 1405 CA SER A 92 -0.451 -7.148 3.970 1.00 0.00 C ATOM 1406 C SER A 92 -1.320 -6.595 5.095 1.00 0.00 C ATOM 1407 O SER A 92 -2.140 -5.703 4.880 1.00 0.00 O ATOM 1408 CB SER A 92 0.856 -6.357 3.884 1.00 0.00 C ATOM 1409 OG SER A 92 0.606 -4.964 3.815 1.00 0.00 O ATOM 0 H SER A 92 -0.743 -6.468 2.009 1.00 0.00 H new ATOM 0 HA SER A 92 -0.223 -8.191 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.475 -6.576 4.754 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.418 -6.673 3.005 1.00 0.00 H new ATOM 0 HG SER A 92 1.401 -4.474 4.112 1.00 0.00 H new ATOM 1415 N GLY A 93 -1.134 -7.131 6.297 1.00 0.00 N ATOM 1416 CA GLY A 93 -1.907 -6.680 7.439 1.00 0.00 C ATOM 1417 C GLY A 93 -2.148 -5.183 7.422 1.00 0.00 C ATOM 1418 O GLY A 93 -1.225 -4.401 7.191 1.00 0.00 O ATOM 0 H GLY A 93 -0.461 -7.870 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.865 -7.199 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.385 -6.950 8.357 1.00 0.00 H new ATOM 1422 N LYS A 94 -3.391 -4.782 7.664 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.752 -3.369 7.675 1.00 0.00 C ATOM 1424 C LYS A 94 -2.815 -2.576 8.581 1.00 0.00 C ATOM 1425 O LYS A 94 -2.738 -2.828 9.783 1.00 0.00 O ATOM 1426 CB LYS A 94 -5.199 -3.195 8.142 1.00 0.00 C ATOM 1427 CG LYS A 94 -6.215 -3.280 7.017 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.685 -4.708 6.797 1.00 0.00 C ATOM 1429 CE LYS A 94 -8.029 -4.749 6.086 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.874 -4.753 4.605 1.00 0.00 N ATOM 0 H LYS A 94 -4.167 -5.416 7.855 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.656 -2.987 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.427 -3.960 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.298 -2.229 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.071 -2.646 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.774 -2.895 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.944 -5.249 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.764 -5.218 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.577 -5.639 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.625 -3.887 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.799 -4.917 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.498 -3.835 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.217 -5.509 4.327 1.00 0.00 H new ATOM 1444 N MET A 95 -2.106 -1.616 7.995 1.00 0.00 N ATOM 1445 CA MET A 95 -1.177 -0.784 8.751 1.00 0.00 C ATOM 1446 C MET A 95 -1.751 0.613 8.968 1.00 0.00 C ATOM 1447 O MET A 95 -2.506 1.120 8.138 1.00 0.00 O ATOM 1448 CB MET A 95 0.164 -0.689 8.022 1.00 0.00 C ATOM 1449 CG MET A 95 1.351 -0.508 8.954 1.00 0.00 C ATOM 1450 SD MET A 95 1.624 -1.939 10.017 1.00 0.00 S ATOM 1451 CE MET A 95 3.336 -1.692 10.483 1.00 0.00 C ATOM 0 H MET A 95 -2.157 -1.395 7.000 1.00 0.00 H new ATOM 0 HA MET A 95 -1.021 -1.249 9.725 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.311 -1.593 7.431 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.130 0.147 7.324 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.248 -0.323 8.362 1.00 0.00 H new ATOM 0 HG3 MET A 95 1.190 0.374 9.573 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.954 -2.461 10.019 1.00 0.00 H new ATOM 0 HE2 MET A 95 3.666 -0.709 10.147 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.431 -1.756 11.567 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.389 1.229 10.088 1.00 0.00 N ATOM 1462 CA CYS A 96 -1.869 2.567 10.414 1.00 0.00 C ATOM 1463 C CYS A 96 -0.767 3.603 10.216 1.00 0.00 C ATOM 1464 O CYS A 96 0.328 3.472 10.763 1.00 0.00 O ATOM 1465 CB CYS A 96 -2.375 2.612 11.856 1.00 0.00 C ATOM 1466 SG CYS A 96 -1.164 2.063 13.081 1.00 0.00 S ATOM 0 H CYS A 96 -0.765 0.823 10.785 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.692 2.806 9.740 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.677 3.632 12.092 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.266 1.989 11.937 1.00 0.00 H new ATOM 0 HG CYS A 96 0.029 2.410 12.698 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.064 4.632 9.430 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.098 5.690 9.157 1.00 0.00 C ATOM 1474 C PHE A 97 -0.785 7.051 9.094 1.00 0.00 C ATOM 1475 O PHE A 97 -1.662 7.276 8.260 1.00 0.00 O ATOM 1476 CB PHE A 97 0.635 5.414 7.843 1.00 0.00 C ATOM 1477 CG PHE A 97 1.495 4.183 7.883 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.582 4.109 8.738 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.216 3.101 7.064 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.375 2.978 8.778 1.00 0.00 C ATOM 1481 CE2 PHE A 97 2.005 1.967 7.100 1.00 0.00 C ATOM 1482 CZ PHE A 97 3.086 1.905 7.956 1.00 0.00 C ATOM 0 H PHE A 97 -1.966 4.756 8.971 1.00 0.00 H new ATOM 0 HA PHE A 97 0.626 5.706 9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.098 5.310 7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.257 6.274 7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.813 4.945 9.381 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.373 3.144 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.219 2.933 9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.776 1.129 6.458 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.705 1.020 7.983 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.380 7.954 9.981 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.957 9.292 10.027 1.00 0.00 C ATOM 1494 C GLN A 98 0.005 10.320 9.442 1.00 0.00 C ATOM 1495 O GLN A 98 1.218 10.234 9.637 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.311 9.669 11.467 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.118 9.664 12.408 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.524 9.753 13.866 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.354 8.802 14.629 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.063 10.900 14.261 1.00 0.00 N ATOM 0 H GLN A 98 0.345 7.783 10.677 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.866 9.289 9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.764 10.660 11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.062 8.973 11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.460 8.753 12.251 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.535 10.502 12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.185 11.662 13.594 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.355 11.019 15.231 1.00 0.00 H new ATOM 1509 N THR A 99 -0.543 11.294 8.722 1.00 0.00 N ATOM 1510 CA THR A 99 0.266 12.339 8.107 1.00 0.00 C ATOM 1511 C THR A 99 0.827 13.290 9.157 1.00 0.00 C ATOM 1512 O THR A 99 0.586 13.123 10.354 1.00 0.00 O ATOM 1513 CB THR A 99 -0.547 13.148 7.079 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.685 13.742 7.714 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.006 12.261 5.932 1.00 0.00 C ATOM 0 H THR A 99 -1.545 11.381 8.550 1.00 0.00 H new ATOM 0 HA THR A 99 1.090 11.841 7.596 1.00 0.00 H new ATOM 0 HB THR A 99 0.095 13.931 6.676 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.450 13.719 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.578 12.855 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.137 11.833 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.633 11.458 6.321 1.00 0.00 H new ATOM 1523 N LEU A 100 1.576 14.289 8.704 1.00 0.00 N ATOM 1524 CA LEU A 100 2.171 15.270 9.606 1.00 0.00 C ATOM 1525 C LEU A 100 1.108 16.205 10.173 1.00 0.00 C ATOM 1526 O LEU A 100 0.291 16.755 9.433 1.00 0.00 O ATOM 1527 CB LEU A 100 3.242 16.081 8.874 1.00 0.00 C ATOM 1528 CG LEU A 100 4.614 15.418 8.744 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.330 15.404 10.085 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.473 14.004 8.198 1.00 0.00 C ATOM 0 H LEU A 100 1.786 14.442 7.718 1.00 0.00 H new ATOM 0 HA LEU A 100 2.633 14.732 10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.875 16.310 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.368 17.031 9.393 1.00 0.00 H new ATOM 0 HG LEU A 100 5.212 16.000 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.304 14.928 9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.464 16.427 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.736 14.847 10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.459 13.547 8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.857 13.412 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.002 14.039 7.216 1.00 0.00 H new ATOM 1542 N THR A 101 1.124 16.382 11.490 1.00 0.00 N ATOM 1543 CA THR A 101 0.162 17.251 12.156 1.00 0.00 C ATOM 1544 C THR A 101 0.766 18.621 12.443 1.00 0.00 C ATOM 1545 O THR A 101 1.691 18.747 13.246 1.00 0.00 O ATOM 1546 CB THR A 101 -0.332 16.633 13.478 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.770 16.444 14.372 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.023 15.301 13.228 1.00 0.00 C ATOM 0 H THR A 101 1.793 15.935 12.117 1.00 0.00 H new ATOM 0 HA THR A 101 -0.684 17.365 11.478 1.00 0.00 H new ATOM 0 HB THR A 101 -1.051 17.318 13.928 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.438 17.145 14.221 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.363 14.884 14.176 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.879 15.453 12.570 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.323 14.610 12.758 1.00 0.00 H new ATOM 1556 N ASP A 102 0.237 19.645 11.783 1.00 0.00 N ATOM 1557 CA ASP A 102 0.723 21.008 11.969 1.00 0.00 C ATOM 1558 C ASP A 102 0.362 21.529 13.356 1.00 0.00 C ATOM 1559 O ASP A 102 1.208 22.073 14.066 1.00 0.00 O ATOM 1560 CB ASP A 102 0.142 21.930 10.896 1.00 0.00 C ATOM 1561 CG ASP A 102 0.322 23.397 11.235 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.466 23.802 11.526 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.682 24.140 11.209 1.00 0.00 O ATOM 0 H ASP A 102 -0.528 19.558 11.114 1.00 0.00 H new ATOM 0 HA ASP A 102 1.809 20.996 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.623 21.719 9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.920 21.716 10.773 1.00 0.00 H new